smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164744390 720640276 /nfs/dbraw/zinc/64/02/76/720640276.db2.gz RZFPYQWDJCYUPZ-OLZOCXBDSA-N 2 0 387.875 0.908 20 0 GCADRP c1ncc(O[C@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)cn1 ZINC001164743758 720707194 /nfs/dbraw/zinc/70/71/94/720707194.db2.gz YEVVOGOAQGTIBQ-CVEARBPZSA-N 2 0 382.472 0.018 20 0 GCADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164740389 720729500 /nfs/dbraw/zinc/72/95/00/720729500.db2.gz KMELXUMVFLZXPS-SJORKVTESA-N 2 0 396.499 0.536 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164855991 720859076 /nfs/dbraw/zinc/85/90/76/720859076.db2.gz NGLJLJLKXYCJOB-IRXDYDNUSA-N 2 0 376.505 0.060 20 0 GCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164890581 721394611 /nfs/dbraw/zinc/39/46/11/721394611.db2.gz OLYAUUUTIVAXGS-DYESRHJHSA-N 2 0 386.544 0.888 20 0 GCADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889764 721422520 /nfs/dbraw/zinc/42/25/20/721422520.db2.gz RJSXLHBTJZHHCE-NQIIRXRSSA-N 2 0 386.544 0.888 20 0 GCADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889767 721422627 /nfs/dbraw/zinc/42/26/27/721422627.db2.gz RJSXLHBTJZHHCE-RXVVDRJESA-N 2 0 386.544 0.888 20 0 GCADRP Cc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1C1C[NH2+]C1 ZINC001164796432 721523589 /nfs/dbraw/zinc/52/35/89/721523589.db2.gz YLRFBZIDWYNXAJ-UHFFFAOYSA-N 2 0 382.516 0.436 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571260616 945420417 /nfs/dbraw/zinc/42/04/17/945420417.db2.gz XMPKYRAXAPOQPF-JKEMJCCQSA-N 2 0 385.447 0.504 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282700 945858399 /nfs/dbraw/zinc/85/83/99/945858399.db2.gz NXCNATIMBCQGDZ-ZFWWWQNUSA-N 2 0 387.463 0.896 20 0 GCADRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C)CC1 ZINC000824428194 946705896 /nfs/dbraw/zinc/70/58/96/946705896.db2.gz QQIYKYLXXIOTBA-HNNXBMFYSA-N 2 0 395.515 0.993 20 0 GCADRP Cc1onc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1-c1nn[nH]n1 ZINC000826343502 947991460 /nfs/dbraw/zinc/99/14/60/947991460.db2.gz CYUKZZFSFPSICP-UHFFFAOYSA-N 2 0 378.481 0.438 20 0 GCADRP CC(C)(C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573761555 948844720 /nfs/dbraw/zinc/84/47/20/948844720.db2.gz JMVJLMKFQOMIHF-CQSZACIVSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574930660 949106970 /nfs/dbraw/zinc/10/69/70/949106970.db2.gz LGINVCMVZKLWMK-AWEZNQCLSA-N 2 0 387.488 0.572 20 0 GCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575253336 949185545 /nfs/dbraw/zinc/18/55/45/949185545.db2.gz JVFUUOMJDRZPHP-KGLIPLIRSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253338 949185624 /nfs/dbraw/zinc/18/56/24/949185624.db2.gz JVFUUOMJDRZPHP-UONOGXRCSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263782 949408885 /nfs/dbraw/zinc/40/88/85/949408885.db2.gz JMBPOAWBHXQXSR-JSGCOSHPSA-N 2 0 387.463 0.894 20 0 GCADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574712165 949567877 /nfs/dbraw/zinc/56/78/77/949567877.db2.gz PTYWTJBYPSQJMQ-IUODEOHRSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574712164 949568874 /nfs/dbraw/zinc/56/88/74/949568874.db2.gz PTYWTJBYPSQJMQ-DOMZBBRYSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574955771 949574484 /nfs/dbraw/zinc/57/44/84/949574484.db2.gz DYYCFABMLCBKGE-OUCADQQQSA-N 2 0 375.452 0.940 20 0 GCADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714055 949617113 /nfs/dbraw/zinc/61/71/13/949617113.db2.gz ZXZLGJLSOWKVJO-GXTWGEPZSA-N 2 0 375.452 0.894 20 0 GCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576184572 950134917 /nfs/dbraw/zinc/13/49/17/950134917.db2.gz VYEWVQCPYXTNNK-CABCVRRESA-N 2 0 386.504 0.920 20 0 GCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574158726 950285339 /nfs/dbraw/zinc/28/53/39/950285339.db2.gz RGHDNSXGLPSZHX-LSDHHAIUSA-N 2 0 386.504 0.968 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576194236 950330385 /nfs/dbraw/zinc/33/03/85/950330385.db2.gz YAKILJGJCBAQFR-RHSMWYFYSA-N 2 0 387.488 0.117 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202592 950434134 /nfs/dbraw/zinc/43/41/34/950434134.db2.gz BPGHEDZCSPEGRO-NFOMZHRRSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576204882 950484913 /nfs/dbraw/zinc/48/49/13/950484913.db2.gz DFZKOAFHOOBPSZ-CHWSQXEVSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205402 950514292 /nfs/dbraw/zinc/51/42/92/950514292.db2.gz INIBTVZLCRHFGM-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208130 950604241 /nfs/dbraw/zinc/60/42/41/950604241.db2.gz NDBSYVBTORCLJH-CHWSQXEVSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208132 950606472 /nfs/dbraw/zinc/60/64/72/950606472.db2.gz NDBSYVBTORCLJH-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208942 950621813 /nfs/dbraw/zinc/62/18/13/950621813.db2.gz VNCWAGJRFJPRKY-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576213520 950630757 /nfs/dbraw/zinc/63/07/57/950630757.db2.gz BPGHEDZCSPEGRO-KKUMJFAQSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001576216136 950724009 /nfs/dbraw/zinc/72/40/09/950724009.db2.gz YRJASHDCTMTYCR-WKCGWZECSA-N 2 0 381.484 0.755 20 0 GCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576217345 950759633 /nfs/dbraw/zinc/75/96/33/950759633.db2.gz GTYCZFCSUSYAEE-CZUORRHYSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576230282 951000254 /nfs/dbraw/zinc/00/02/54/951000254.db2.gz AMQQMIQLTUXNLY-KBPBESRZSA-N 2 0 382.472 0.286 20 0 GCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575080714 951713954 /nfs/dbraw/zinc/71/39/54/951713954.db2.gz NDCZKKFJZIAWRB-STQMWFEESA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101248 951856002 /nfs/dbraw/zinc/85/60/02/951856002.db2.gz BGJCAJYCHCHWEL-TZMCWYRMSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575101514 951859344 /nfs/dbraw/zinc/85/93/44/951859344.db2.gz GEOITPWCNZNAOT-OCCSQVGLSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575145504 952185410 /nfs/dbraw/zinc/18/54/10/952185410.db2.gz YUVCWWCPIQZFSB-SFHVURJKSA-N 2 0 382.472 0.476 20 0 GCADRP Cc1cc(N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571213681 953096361 /nfs/dbraw/zinc/09/63/61/953096361.db2.gz UADYAXIMVUYDGA-CQSZACIVSA-N 2 0 382.472 0.751 20 0 GCADRP O=C(NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C12CC[NH+](CC1)C2 ZINC001571219070 953122632 /nfs/dbraw/zinc/12/26/32/953122632.db2.gz ULZBEENBJRDMEV-UHFFFAOYSA-N 2 0 382.472 0.619 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571251807 953320751 /nfs/dbraw/zinc/32/07/51/953320751.db2.gz AJDRLVOETKWWHH-OAHLLOKOSA-N 2 0 384.488 0.963 20 0 GCADRP Cc1cc(N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571251884 953320947 /nfs/dbraw/zinc/32/09/47/953320947.db2.gz CDKHRRFZSGOFSL-CZUORRHYSA-N 2 0 384.488 0.735 20 0 GCADRP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252109 953324103 /nfs/dbraw/zinc/32/41/03/953324103.db2.gz HMKNVOXTMJHTKO-QLFBSQMISA-N 2 0 384.488 0.995 20 0 GCADRP Cc1cc(NC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252652 953330725 /nfs/dbraw/zinc/33/07/25/953330725.db2.gz SKUUGQCVQMQHGW-ZFWWWQNUSA-N 2 0 384.488 0.594 20 0 GCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252704 953331793 /nfs/dbraw/zinc/33/17/93/953331793.db2.gz URFGFTGZKGCJRJ-CABCVRRESA-N 2 0 384.488 0.818 20 0 GCADRP COC(=O)c1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)o1 ZINC000264642366 530164140 /nfs/dbraw/zinc/16/41/40/530164140.db2.gz VVFHGHYBYZLBSF-UHFFFAOYSA-N 2 0 375.491 0.960 20 0 GCADRP CC[NH+](CC)CCN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000648149269 530171359 /nfs/dbraw/zinc/17/13/59/530171359.db2.gz FRULSIUTORGJMK-UONOGXRCSA-N 2 0 381.489 0.589 20 0 GCADRP C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000269064604 530235026 /nfs/dbraw/zinc/23/50/26/530235026.db2.gz YQWIYXKIYKMPGS-AWEZNQCLSA-N 2 0 391.559 0.612 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000625540199 530210073 /nfs/dbraw/zinc/21/00/73/530210073.db2.gz INVFBQLHPLRBSG-INIZCTEOSA-N 2 0 376.567 0.390 20 0 GCADRP C[NH+](CC(=O)NCCCNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000583398210 530269866 /nfs/dbraw/zinc/26/98/66/530269866.db2.gz GHWPMCLGZHTXSJ-HUUCEWRRSA-N 2 0 388.603 0.484 20 0 GCADRP CS[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000601397862 530385619 /nfs/dbraw/zinc/38/56/19/530385619.db2.gz VNRSIMBLSPRCRM-IRXDYDNUSA-N 2 0 390.619 0.465 20 0 GCADRP CSC1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000601415093 530387121 /nfs/dbraw/zinc/38/71/21/530387121.db2.gz BIJHZFNEYFSUEN-UHFFFAOYSA-N 2 0 378.608 0.371 20 0 GCADRP CC(=O)NCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000591085506 530405875 /nfs/dbraw/zinc/40/58/75/530405875.db2.gz CHDOXQKSYZGLGB-UHFFFAOYSA-N 2 0 390.575 0.541 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000531357770 530451938 /nfs/dbraw/zinc/45/19/38/530451938.db2.gz IPFRQJAMNMNWKP-UHFFFAOYSA-N 2 0 376.548 0.368 20 0 GCADRP CC[NH+](CC)CCN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CCS(=O)(=O)C1 ZINC000563163340 530508473 /nfs/dbraw/zinc/50/84/73/530508473.db2.gz UDEYTEPSDGQWLO-ZDUSSCGKSA-N 2 0 388.559 0.615 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1Cl ZINC000498059350 530558350 /nfs/dbraw/zinc/55/83/50/530558350.db2.gz FASLKODCVKSSKC-CYBMUJFWSA-N 2 0 377.894 0.981 20 0 GCADRP CC(C)C[C@H](NS(=O)(=O)CCC[NH+](C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000641600839 530760049 /nfs/dbraw/zinc/76/00/49/530760049.db2.gz UFPPZHFQPHOVGI-CVEARBPZSA-N 2 0 376.567 0.435 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000061647224 530786291 /nfs/dbraw/zinc/78/62/91/530786291.db2.gz FSJLEANODHBSJF-UHFFFAOYSA-N 2 0 376.567 0.390 20 0 GCADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000423391874 531017299 /nfs/dbraw/zinc/01/72/99/531017299.db2.gz PNWOAZDZUXNYBS-FZMZJTMJSA-N 2 0 380.436 0.821 20 0 GCADRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000423391873 531017352 /nfs/dbraw/zinc/01/73/52/531017352.db2.gz PNWOAZDZUXNYBS-BXUZGUMPSA-N 2 0 380.436 0.821 20 0 GCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000736570987 598285907 /nfs/dbraw/zinc/28/59/07/598285907.db2.gz QXKQGXKQROIFTL-CQSZACIVSA-N 2 0 384.492 0.273 20 0 GCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736150271 598348956 /nfs/dbraw/zinc/34/89/56/598348956.db2.gz ZJGMTCMJMNLPHO-AWEZNQCLSA-N 2 0 387.488 0.830 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)CC1 ZINC000736852979 599490558 /nfs/dbraw/zinc/49/05/58/599490558.db2.gz UQNXPXPEFNHURR-OAHLLOKOSA-N 2 0 381.488 0.773 20 0 GCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000826182337 607428334 /nfs/dbraw/zinc/42/83/34/607428334.db2.gz HFWJQVGPSDNOPY-UHFFFAOYSA-N 2 0 387.488 0.765 20 0 GCADRP CN(CCC[NH2+]Cc1cn(C)nc1I)CC[NH+](C)C ZINC000922276134 640109161 /nfs/dbraw/zinc/10/91/61/640109161.db2.gz YZJUEEFJRKGWSK-UHFFFAOYSA-N 2 0 379.290 0.998 20 0 GCADRP CC[NH+](CC)CCN(C(=S)NCCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000839416789 640212007 /nfs/dbraw/zinc/21/20/07/640212007.db2.gz QLZJRPMNUDNCFI-OAHLLOKOSA-N 2 0 378.608 0.644 20 0 GCADRP COC(=O)c1csc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867589897 641359852 /nfs/dbraw/zinc/35/98/52/641359852.db2.gz ROBZJRLTAGMGFG-ZIAGYGMSSA-N 2 0 389.543 0.895 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C[C@H]1C[NH+](C)C ZINC000870024115 641432106 /nfs/dbraw/zinc/43/21/06/641432106.db2.gz TXDURZHHGIWRII-CHWSQXEVSA-N 2 0 388.559 0.136 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)C[C@H]1C[NH+](C)C ZINC000870023983 641432323 /nfs/dbraw/zinc/43/23/23/641432323.db2.gz RMOMWLWMQIBYFA-ZIAGYGMSSA-N 2 0 388.559 0.224 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000130614283 641747328 /nfs/dbraw/zinc/74/73/28/641747328.db2.gz QMDVTUZGSNWKJT-UHFFFAOYSA-N 2 0 386.294 0.734 20 0 GCADRP O[C@@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)C(F)(F)C(F)(F)F ZINC000883360042 641751883 /nfs/dbraw/zinc/75/18/83/641751883.db2.gz SJXJSFUVUJWPBA-ZDUSSCGKSA-N 2 0 375.382 0.931 20 0 GCADRP C[NH+](CCCCCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000247053492 642062457 /nfs/dbraw/zinc/06/24/57/642062457.db2.gz FJCMVBBIXSEQKG-HOTGVXAUSA-N 2 0 380.576 0.785 20 0 GCADRP C[N@H+]1C[C@H]2CN(C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)C[C@H]2C1 ZINC000893494572 1192166523 /nfs/dbraw/zinc/16/65/23/1192166523.db2.gz PCYOVWSXHYJSNR-CALCHBBNSA-N 2 0 379.549 0.816 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662965018 1192172035 /nfs/dbraw/zinc/17/20/35/1192172035.db2.gz BVLUKAIJIPSKLD-XUVXKRRUSA-N 2 0 384.524 0.972 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662973341 1192174997 /nfs/dbraw/zinc/17/49/97/1192174997.db2.gz VZTDVPUDFQBOOT-UGKGYDQZSA-N 2 0 384.524 0.974 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000662983806 1192176670 /nfs/dbraw/zinc/17/66/70/1192176670.db2.gz MHHHMDKPFVKBLA-ZJPYXAASSA-N 2 0 379.549 0.057 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000642683222 1192177411 /nfs/dbraw/zinc/17/74/11/1192177411.db2.gz FZSHBMMYHSGOLT-KBXCAEBGSA-N 2 0 392.475 0.481 20 0 GCADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017169 1192186112 /nfs/dbraw/zinc/18/61/12/1192186112.db2.gz IRNKGYGXBPPQMU-HUUCEWRRSA-N 2 0 398.515 0.639 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345340 1192197638 /nfs/dbraw/zinc/19/76/38/1192197638.db2.gz AIJXDRGWPSEEIH-JJRVBVJISA-N 2 0 396.513 0.491 20 0 GCADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(=O)N1CCCCC1 ZINC000652347718 1192198782 /nfs/dbraw/zinc/19/87/82/1192198782.db2.gz KAOWERTXBFDBMF-FJIDUMEYSA-N 2 0 380.533 0.722 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000661980361 1192211371 /nfs/dbraw/zinc/21/13/71/1192211371.db2.gz AUROIRUNCWJPKQ-QRVBRYPASA-N 2 0 380.533 0.917 20 0 GCADRP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000511952081 1192223704 /nfs/dbraw/zinc/22/37/04/1192223704.db2.gz XLAQEVNITHMQJQ-LMDPOFIKSA-N 2 0 392.544 0.690 20 0 GCADRP CN1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000652497887 1192234167 /nfs/dbraw/zinc/23/41/67/1192234167.db2.gz OSJULRDZLTWSGG-KURKYZTESA-N 2 0 379.549 0.214 20 0 GCADRP O=C(NCC[NH+]1CCCCC1)[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)O1 ZINC000188260829 1192256088 /nfs/dbraw/zinc/25/60/88/1192256088.db2.gz VXOMIMJAZFMZGV-ROUUACIJSA-N 2 0 380.533 0.738 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cc(-n2nnc(CC[NH3+])n2)nc2ccccc21 ZINC001167790706 1192256683 /nfs/dbraw/zinc/25/66/83/1192256683.db2.gz CENRLTLCYJWDQS-UHFFFAOYSA-N 2 0 382.472 0.783 20 0 GCADRP CCOC(=O)c1sc2nc(CN(C)C)nc(-n3nnc(CC[NH3+])n3)c2c1C ZINC001167791173 1192257138 /nfs/dbraw/zinc/25/71/38/1192257138.db2.gz VKOIRIAJHJZNGV-UHFFFAOYSA-N 2 0 390.473 0.715 20 0 GCADRP C[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CCC[NH3+] ZINC000662313418 1192282739 /nfs/dbraw/zinc/28/27/39/1192282739.db2.gz MZYVYHIBKLMEIT-CRAIPNDOSA-N 2 0 396.557 0.832 20 0 GCADRP O=c1cc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]c2ccnn21 ZINC000662338769 1192285442 /nfs/dbraw/zinc/28/54/42/1192285442.db2.gz VUFDHPCQEHYMAT-CQSZACIVSA-N 2 0 382.472 0.535 20 0 GCADRP CCN(CC)C(=O)CN1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662377353 1192287056 /nfs/dbraw/zinc/28/70/56/1192287056.db2.gz YAWUDEQECQJLOL-UHFFFAOYSA-N 2 0 391.520 0.219 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662528104 1192311921 /nfs/dbraw/zinc/31/19/21/1192311921.db2.gz VEHGZWODCQNPRK-CALCHBBNSA-N 2 0 389.548 0.833 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(C2CC[NH2+]CC2)no1 ZINC000662559690 1192312596 /nfs/dbraw/zinc/31/25/96/1192312596.db2.gz DIZWOSNZFIFNGR-CQSZACIVSA-N 2 0 375.395 0.708 20 0 GCADRP COc1cccc([C@@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+](C)C)c1 ZINC000663446230 1192340174 /nfs/dbraw/zinc/34/01/74/1192340174.db2.gz RSTPOXRQZDVNEW-GOSISDBHSA-N 2 0 393.532 0.959 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643502286 1192368766 /nfs/dbraw/zinc/36/87/66/1192368766.db2.gz BXKDZOSLJMFIGG-OTWHNJEPSA-N 2 0 394.560 0.794 20 0 GCADRP CC(C)[NH+](CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000669184032 1192373704 /nfs/dbraw/zinc/37/37/04/1192373704.db2.gz VZROSAUOJGVQAA-SFHVURJKSA-N 2 0 382.549 0.981 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000643539460 1192384243 /nfs/dbraw/zinc/38/42/43/1192384243.db2.gz HCBXBLDMBNAOER-SJLPKXTDSA-N 2 0 380.533 0.676 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCN(C)CC1 ZINC000663561620 1192389702 /nfs/dbraw/zinc/38/97/02/1192389702.db2.gz UPNKVKILQBCSCV-OALUTQOASA-N 2 0 381.565 0.499 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000585716555 1192396514 /nfs/dbraw/zinc/39/65/14/1192396514.db2.gz IBTJTQLIHSMFCR-RBUKOAKNSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247419354 1192408691 /nfs/dbraw/zinc/40/86/91/1192408691.db2.gz NVHQRIGDVSYAAN-TVFCKZIOSA-N 2 0 382.549 0.600 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673291 1192430569 /nfs/dbraw/zinc/43/05/69/1192430569.db2.gz KGXCYTLBGBCYIA-YYIAUSFCSA-N 2 0 382.549 0.681 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652675442 1192450427 /nfs/dbraw/zinc/45/04/27/1192450427.db2.gz XFBXXQBMLQXGFI-WNRNVDISSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@H](NC(=O)COCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000512136147 1192468628 /nfs/dbraw/zinc/46/86/28/1192468628.db2.gz BYQZKZZEFLMCOG-HOTGVXAUSA-N 2 0 378.517 0.536 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376198 1192518812 /nfs/dbraw/zinc/51/88/12/1192518812.db2.gz FLNHEJBDXLYCIL-KRWDZBQOSA-N 2 0 383.537 0.469 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000187308271 1192523046 /nfs/dbraw/zinc/52/30/46/1192523046.db2.gz LHBBIJZSQUJDHE-ROUUACIJSA-N 2 0 383.581 0.745 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000187307950 1192523359 /nfs/dbraw/zinc/52/33/59/1192523359.db2.gz UQNXWLRTXUXSSJ-MSOLQXFVSA-N 2 0 383.581 0.745 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000509735677 1192530809 /nfs/dbraw/zinc/53/08/09/1192530809.db2.gz GDMMVFVYGFKGQB-SJLPKXTDSA-N 2 0 380.533 0.546 20 0 GCADRP COC(=O)C1CCN(C(=O)c2cccnc2NC(=[NH2+])NCCCC[NH3+])CC1 ZINC001167877586 1192559722 /nfs/dbraw/zinc/55/97/22/1192559722.db2.gz FMXVJPGQPJKJDO-UHFFFAOYSA-N 2 0 376.461 0.782 20 0 GCADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000512240282 1192568300 /nfs/dbraw/zinc/56/83/00/1192568300.db2.gz HRHMKLZUZMIPIB-KRWDZBQOSA-N 2 0 397.564 0.513 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000187413489 1192588353 /nfs/dbraw/zinc/58/83/53/1192588353.db2.gz VUFGFVYPAFWBBW-GOSISDBHSA-N 2 0 383.581 0.891 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000187413134 1192588966 /nfs/dbraw/zinc/58/89/66/1192588966.db2.gz VWVLQVCGOQACFV-GOSISDBHSA-N 2 0 383.581 0.891 20 0 GCADRP C[NH+]1CCN(CCNC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)CC1 ZINC000512291274 1192599504 /nfs/dbraw/zinc/59/95/04/1192599504.db2.gz GZBDXLFHRKSXEZ-UHFFFAOYSA-N 2 0 384.484 0.889 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC000512286955 1192599794 /nfs/dbraw/zinc/59/97/94/1192599794.db2.gz FAPFPXUFAQHQNY-UHFFFAOYSA-N 2 0 389.500 0.402 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CCN1C1CC[NH+](C)CC1 ZINC000500472397 1192623639 /nfs/dbraw/zinc/62/36/39/1192623639.db2.gz NJIDZHBETPBPDL-INIZCTEOSA-N 2 0 379.549 0.214 20 0 GCADRP COCC1(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000418649016 1192623665 /nfs/dbraw/zinc/62/36/65/1192623665.db2.gz UOLNYEYKULPYLI-LJQANCHMSA-N 2 0 390.528 0.721 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000418635860 1192624346 /nfs/dbraw/zinc/62/43/46/1192624346.db2.gz GAHQZAYHAMTGOQ-UHFFFAOYSA-N 2 0 383.537 0.198 20 0 GCADRP COC[C@]1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CCC[NH2+]1 ZINC000418657599 1192624957 /nfs/dbraw/zinc/62/49/57/1192624957.db2.gz RIEBKKCUQXSRIH-QKNQBKEWSA-N 2 0 390.528 0.937 20 0 GCADRP COC[C@]1(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CCC[NH2+]1 ZINC000418657604 1192625008 /nfs/dbraw/zinc/62/50/08/1192625008.db2.gz RIEBKKCUQXSRIH-SVFBPWRDSA-N 2 0 390.528 0.937 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418776751 1192642871 /nfs/dbraw/zinc/64/28/71/1192642871.db2.gz GRLPJACMZLXNSY-QGZVFWFLSA-N 2 0 375.517 0.416 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000418775626 1192642926 /nfs/dbraw/zinc/64/29/26/1192642926.db2.gz WJCJAYVMIMQABB-BWVQPMQLSA-N 2 0 377.533 0.637 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418785579 1192643303 /nfs/dbraw/zinc/64/33/03/1192643303.db2.gz RFMNVQXUQVXMAH-SFHVURJKSA-N 2 0 387.528 0.573 20 0 GCADRP [NH3+]CC1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000418795879 1192647223 /nfs/dbraw/zinc/64/72/23/1192647223.db2.gz DAWFIKBUSUBERT-UHFFFAOYSA-N 2 0 380.533 0.583 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418805451 1192650030 /nfs/dbraw/zinc/65/00/30/1192650030.db2.gz NKZXNXTVWZBHCO-MSOLQXFVSA-N 2 0 392.544 0.453 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805988 1192650206 /nfs/dbraw/zinc/65/02/06/1192650206.db2.gz OCDPULADLPWLNZ-IAGOWNOFSA-N 2 0 380.533 0.581 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)[NH+](C)C)cc1OC ZINC000418827251 1192656963 /nfs/dbraw/zinc/65/69/63/1192656963.db2.gz GOQPMPJWNCZYSI-BMFZPTHFSA-N 2 0 392.500 0.618 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000418823703 1192656111 /nfs/dbraw/zinc/65/61/11/1192656111.db2.gz CGYDRQNFSUDQIJ-YTQUADARSA-N 2 0 388.512 0.589 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)[NH+](C)C)cc1OC ZINC000418827262 1192657109 /nfs/dbraw/zinc/65/71/09/1192657109.db2.gz GOQPMPJWNCZYSI-KBMXLJTQSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[NH+](C)C)cc1OC ZINC000418836577 1192658038 /nfs/dbraw/zinc/65/80/38/1192658038.db2.gz RNFZWIDDFFZABL-HUUCEWRRSA-N 2 0 378.473 0.291 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000418831375 1192659652 /nfs/dbraw/zinc/65/96/52/1192659652.db2.gz GEQIPCJGIZYPPD-DOTOQJQBSA-N 2 0 390.484 0.134 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)C1 ZINC000418834408 1192660631 /nfs/dbraw/zinc/66/06/31/1192660631.db2.gz OIYZEMPTWXGETP-GJZGRUSLSA-N 2 0 378.473 0.243 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418838412 1192661135 /nfs/dbraw/zinc/66/11/35/1192661135.db2.gz VHITWSVWLNBQMW-HUUCEWRRSA-N 2 0 378.473 0.291 20 0 GCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418837244 1192661218 /nfs/dbraw/zinc/66/12/18/1192661218.db2.gz AAXAETADWDVFQX-LSDHHAIUSA-N 2 0 380.514 0.496 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[NH+](C)C)cc1OC ZINC000418837697 1192662146 /nfs/dbraw/zinc/66/21/46/1192662146.db2.gz UCFCEMOEOLZKBV-HZPDHXFCSA-N 2 0 392.500 0.681 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418825368 1192657103 /nfs/dbraw/zinc/65/71/03/1192657103.db2.gz DWPJYHWIPSXVOX-YUELXQCFSA-N 2 0 378.473 0.228 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCCC1 ZINC000418840538 1192663147 /nfs/dbraw/zinc/66/31/47/1192663147.db2.gz XXUQLBAVIDXJTC-SJORKVTESA-N 2 0 380.533 0.722 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000418848305 1192665117 /nfs/dbraw/zinc/66/51/17/1192665117.db2.gz LBQOVNINMAZVDJ-GOSISDBHSA-N 2 0 390.528 0.632 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000418848163 1192665375 /nfs/dbraw/zinc/66/53/75/1192665375.db2.gz KSEFGOYJSSDSOA-XIRDDKMYSA-N 2 0 376.501 0.505 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418857951 1192669394 /nfs/dbraw/zinc/66/93/94/1192669394.db2.gz IHSSTTZZSOMSBZ-KYJSFNMBSA-N 2 0 376.501 0.857 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418865695 1192669692 /nfs/dbraw/zinc/66/96/92/1192669692.db2.gz SCOFVGGIYXSSCN-QAPCUYQASA-N 2 0 376.501 0.920 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418857953 1192669814 /nfs/dbraw/zinc/66/98/14/1192669814.db2.gz IHSSTTZZSOMSBZ-ZVZYQTTQSA-N 2 0 376.501 0.857 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000418858760 1192670317 /nfs/dbraw/zinc/67/03/17/1192670317.db2.gz AQANVWLSXACBHW-RTBURBONSA-N 2 0 394.560 0.970 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)[NH+](C)C)c1 ZINC000418862285 1192670844 /nfs/dbraw/zinc/67/08/44/1192670844.db2.gz OAHNTHGCUNVVBW-XKQJLSEDSA-N 2 0 392.500 0.643 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000418860666 1192670979 /nfs/dbraw/zinc/67/09/79/1192670979.db2.gz MADAYNUNHZMJCQ-OTWHNJEPSA-N 2 0 388.512 0.904 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418862840 1192671571 /nfs/dbraw/zinc/67/15/71/1192671571.db2.gz OXMFYMCSTMMJNA-BZUAXINKSA-N 2 0 394.541 0.966 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000418869243 1192672624 /nfs/dbraw/zinc/67/26/24/1192672624.db2.gz WWJFYVJVRCECRF-QRVBRYPASA-N 2 0 390.528 0.933 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000418869239 1192672689 /nfs/dbraw/zinc/67/26/89/1192672689.db2.gz WWJFYVJVRCECRF-FHWLQOOXSA-N 2 0 390.528 0.933 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418868736 1192672710 /nfs/dbraw/zinc/67/27/10/1192672710.db2.gz WIODBNKEBXURSL-UHFFFAOYSA-N 2 0 389.544 0.364 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418869420 1192673013 /nfs/dbraw/zinc/67/30/13/1192673013.db2.gz XDMALWIZKGGVAU-ZWKOTPCHSA-N 2 0 376.501 0.680 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCC2)c1 ZINC000418872004 1192673263 /nfs/dbraw/zinc/67/32/63/1192673263.db2.gz GBHUKNZNJIDMAX-NEWSRXKRSA-N 2 0 386.496 0.769 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000418880945 1192677707 /nfs/dbraw/zinc/67/77/07/1192677707.db2.gz QDUCQWCOBVPDRZ-MOPGFXCFSA-N 2 0 388.512 0.503 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418882779 1192678770 /nfs/dbraw/zinc/67/87/70/1192678770.db2.gz UFEWYGBWJHFCLX-KRWDZBQOSA-N 2 0 376.501 0.503 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418878722 1192674724 /nfs/dbraw/zinc/67/47/24/1192674724.db2.gz MAODHKJUDBXURG-RBUKOAKNSA-N 2 0 390.528 0.701 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000418880329 1192675729 /nfs/dbraw/zinc/67/57/29/1192675729.db2.gz VHJBKPKAKHOPEA-ZWKOTPCHSA-N 2 0 390.484 0.134 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@@H]1C[NH3+] ZINC000418877802 1192676091 /nfs/dbraw/zinc/67/60/91/1192676091.db2.gz KJNYNXIUWGHEKY-AYOQOUSVSA-N 2 0 388.512 0.313 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000418927319 1192693374 /nfs/dbraw/zinc/69/33/74/1192693374.db2.gz SOQCTASYYQTXTP-MSOLQXFVSA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418932394 1192694744 /nfs/dbraw/zinc/69/47/44/1192694744.db2.gz ZCWNXDMESKSDBK-SFHVURJKSA-N 2 0 382.549 0.888 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000418913422 1192690242 /nfs/dbraw/zinc/69/02/42/1192690242.db2.gz DYBDQGBYNPXXCG-LJQANCHMSA-N 2 0 390.528 0.837 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)ccn1 ZINC000418952287 1192699822 /nfs/dbraw/zinc/69/98/22/1192699822.db2.gz JXIGIHGKTLQGRV-KRWDZBQOSA-N 2 0 385.468 0.454 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000418957548 1192699900 /nfs/dbraw/zinc/69/99/00/1192699900.db2.gz VADMLTURRDHXQJ-HOCLYGCPSA-N 2 0 377.489 0.082 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418967574 1192705454 /nfs/dbraw/zinc/70/54/54/1192705454.db2.gz SCHFISBNFDXXCH-FUHWJXTLSA-N 2 0 388.512 0.973 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418955862 1192701595 /nfs/dbraw/zinc/70/15/95/1192701595.db2.gz RFEACGHNYAEXOK-PQEBFOHHSA-N 2 0 396.532 0.100 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418956495 1192701793 /nfs/dbraw/zinc/70/17/93/1192701793.db2.gz SFZRJTBFOVBGSP-MRXNPFEDSA-N 2 0 377.489 0.239 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000418964643 1192704381 /nfs/dbraw/zinc/70/43/81/1192704381.db2.gz NKSVBYNCVLOEJX-APWZRJJASA-N 2 0 388.512 0.973 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000418964646 1192704521 /nfs/dbraw/zinc/70/45/21/1192704521.db2.gz NKSVBYNCVLOEJX-VQIMIIECSA-N 2 0 388.512 0.973 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000418996791 1192712173 /nfs/dbraw/zinc/71/21/73/1192712173.db2.gz KOAUFIUMCOQRRR-WBVHZDCISA-N 2 0 376.501 0.854 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000418995492 1192713163 /nfs/dbraw/zinc/71/31/63/1192713163.db2.gz JBDPJTZDCKQEQA-RBUKOAKNSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@H]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000419002298 1192713810 /nfs/dbraw/zinc/71/38/10/1192713810.db2.gz ZHYDDTLXHOBHBP-WMZOPIPTSA-N 2 0 388.512 0.780 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419010965 1192717308 /nfs/dbraw/zinc/71/73/08/1192717308.db2.gz ZJAAZQDYWWVIEV-MSOLQXFVSA-N 2 0 376.501 0.589 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000419003627 1192714335 /nfs/dbraw/zinc/71/43/35/1192714335.db2.gz DHVCONLKSHUTJJ-RBUKOAKNSA-N 2 0 388.512 0.863 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419020417 1192722199 /nfs/dbraw/zinc/72/21/99/1192722199.db2.gz FSRXAIGBVHUXRO-HLLBOEOZSA-N 2 0 391.520 0.137 20 0 GCADRP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000410584212 1192729296 /nfs/dbraw/zinc/72/92/96/1192729296.db2.gz LEBZTGCDWBWWCE-SCTDSRPQSA-N 2 0 391.560 0.308 20 0 GCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419032077 1192731496 /nfs/dbraw/zinc/73/14/96/1192731496.db2.gz VYNRFFWJGGIZTA-BRWVUGGUSA-N 2 0 382.549 0.825 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419026764 1192728520 /nfs/dbraw/zinc/72/85/20/1192728520.db2.gz NSCOFKDJQNKPDA-KCITZHQASA-N 2 0 394.560 0.968 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000419040502 1192737386 /nfs/dbraw/zinc/73/73/86/1192737386.db2.gz MPSRPPOMQHIBBO-XWTMOSNGSA-N 2 0 380.533 0.593 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])[C@H](C)C1 ZINC000419045611 1192740127 /nfs/dbraw/zinc/74/01/27/1192740127.db2.gz WRJOLNXSRPYDND-XWTMOSNGSA-N 2 0 382.549 0.825 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419044847 1192742329 /nfs/dbraw/zinc/74/23/29/1192742329.db2.gz MNKJGHDUANZYAU-WZGPROSRSA-N 2 0 388.512 0.903 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000419047529 1192743483 /nfs/dbraw/zinc/74/34/83/1192743483.db2.gz YHXXYGJIOVXZNV-INIZCTEOSA-N 2 0 376.501 0.637 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419054133 1192747845 /nfs/dbraw/zinc/74/78/45/1192747845.db2.gz GYBZHVUPKHXXNV-CGTJXYLNSA-N 2 0 376.501 0.445 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@@H](C)O1 ZINC000419057550 1192755095 /nfs/dbraw/zinc/75/50/95/1192755095.db2.gz AMAPYTOBVZBBMM-HUUCEWRRSA-N 2 0 388.512 0.910 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419065145 1192760733 /nfs/dbraw/zinc/76/07/33/1192760733.db2.gz ZARSPEMGPWTLFO-BHIYHBOVSA-N 2 0 388.512 0.460 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500781112 1192781361 /nfs/dbraw/zinc/78/13/61/1192781361.db2.gz FCKMADASBPZCQJ-UHFFFAOYSA-N 2 0 382.549 0.936 20 0 GCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000419102706 1192786991 /nfs/dbraw/zinc/78/69/91/1192786991.db2.gz JCJXJHVZCZPVLE-SFHVURJKSA-N 2 0 388.512 0.770 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419104208 1192791727 /nfs/dbraw/zinc/79/17/27/1192791727.db2.gz ACHBRUVBIQCXRH-QGZVFWFLSA-N 2 0 388.516 0.050 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000419108572 1192789245 /nfs/dbraw/zinc/78/92/45/1192789245.db2.gz QKMDXTDXIJJPKC-GOSISDBHSA-N 2 0 388.512 0.640 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000500795708 1192790147 /nfs/dbraw/zinc/79/01/47/1192790147.db2.gz SRIJZDPXFKJJNG-UHFFFAOYSA-N 2 0 380.533 0.690 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419104660 1192792281 /nfs/dbraw/zinc/79/22/81/1192792281.db2.gz ATXKNGRMHJQHND-MRXNPFEDSA-N 2 0 376.505 0.083 20 0 GCADRP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000419125021 1192796833 /nfs/dbraw/zinc/79/68/33/1192796833.db2.gz YNSTXIXUTPWRGQ-SQNIBIBYSA-N 2 0 380.533 0.593 20 0 GCADRP CC(C)([NH3+])CNC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419103226 1192791985 /nfs/dbraw/zinc/79/19/85/1192791985.db2.gz JNLDJPPKXZOOGB-UHFFFAOYSA-N 2 0 376.501 0.673 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419112329 1192798989 /nfs/dbraw/zinc/79/89/89/1192798989.db2.gz JXPDCFZYBRYHRK-DOTOQJQBSA-N 2 0 388.516 0.178 20 0 GCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419114355 1192799511 /nfs/dbraw/zinc/79/95/11/1192799511.db2.gz XCRJQRMOMTYSAD-GOSISDBHSA-N 2 0 388.512 0.688 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000419116179 1192800752 /nfs/dbraw/zinc/80/07/52/1192800752.db2.gz OQSHLXPWBVGRQN-QGZVFWFLSA-N 2 0 388.516 0.050 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000419138307 1192803499 /nfs/dbraw/zinc/80/34/99/1192803499.db2.gz SHMILMVTMNUNKY-INIZCTEOSA-N 2 0 388.512 0.844 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419129812 1192804936 /nfs/dbraw/zinc/80/49/36/1192804936.db2.gz DJFBLYFXTGJTPY-SFHVURJKSA-N 2 0 388.512 0.892 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000419130929 1192805472 /nfs/dbraw/zinc/80/54/72/1192805472.db2.gz BOMKIHMQWDMRFK-RDJZCZTQSA-N 2 0 376.501 0.687 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132081 1192806527 /nfs/dbraw/zinc/80/65/27/1192806527.db2.gz AUTIEKPNBYHNJJ-RXVVDRJESA-N 2 0 388.512 0.591 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419133229 1192806993 /nfs/dbraw/zinc/80/69/93/1192806993.db2.gz FMTJYINWAGIROT-RDJZCZTQSA-N 2 0 376.501 0.877 20 0 GCADRP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419132932 1192807220 /nfs/dbraw/zinc/80/72/20/1192807220.db2.gz CECWFXRHCWQBLJ-IBGZPJMESA-N 2 0 388.512 0.652 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419148734 1192809812 /nfs/dbraw/zinc/80/98/12/1192809812.db2.gz KKUKAGHXFKXMPJ-INIZCTEOSA-N 2 0 393.557 0.098 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000419154273 1192811888 /nfs/dbraw/zinc/81/18/88/1192811888.db2.gz RBGONPCHVJEBIB-GJZGRUSLSA-N 2 0 380.514 0.262 20 0 GCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419144942 1192814377 /nfs/dbraw/zinc/81/43/77/1192814377.db2.gz HDUCRHPBSOCQEY-IFIJOSMWSA-N 2 0 382.455 0.983 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419147565 1192815086 /nfs/dbraw/zinc/81/50/86/1192815086.db2.gz JACDTJVRNUTAAW-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000419146803 1192815192 /nfs/dbraw/zinc/81/51/92/1192815192.db2.gz IODAIEKCSZMGGS-HZPDHXFCSA-N 2 0 376.501 0.748 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419146005 1192815250 /nfs/dbraw/zinc/81/52/50/1192815250.db2.gz HEFJBOUJIXYXLU-DOTOQJQBSA-N 2 0 388.516 0.083 20 0 GCADRP C[C@H](NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000419146802 1192815502 /nfs/dbraw/zinc/81/55/02/1192815502.db2.gz IODAIEKCSZMGGS-HOTGVXAUSA-N 2 0 376.501 0.748 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419158472 1192816681 /nfs/dbraw/zinc/81/66/81/1192816681.db2.gz XVWLNTQKLUZPKN-INIZCTEOSA-N 2 0 376.501 0.701 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419160464 1192818095 /nfs/dbraw/zinc/81/80/95/1192818095.db2.gz HLIMUYVLDOZFAB-QZTJIDSGSA-N 2 0 376.501 0.445 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419160465 1192818538 /nfs/dbraw/zinc/81/85/38/1192818538.db2.gz HLIMUYVLDOZFAB-ROUUACIJSA-N 2 0 376.501 0.445 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCc2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000419161458 1192819075 /nfs/dbraw/zinc/81/90/75/1192819075.db2.gz IXNOUSOCCRTPTR-UHFFFAOYSA-N 2 0 395.507 0.850 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCC(C)CC1 ZINC000419162032 1192820848 /nfs/dbraw/zinc/82/08/48/1192820848.db2.gz SWGJZPBXBPYSCU-IRXDYDNUSA-N 2 0 395.548 0.069 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419164366 1192821338 /nfs/dbraw/zinc/82/13/38/1192821338.db2.gz LSYDIEKNNPVGNO-UHOSZYNNSA-N 2 0 388.512 0.589 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419164370 1192821981 /nfs/dbraw/zinc/82/19/81/1192821981.db2.gz LSYDIEKNNPVGNO-YTQUADARSA-N 2 0 388.512 0.589 20 0 GCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419166115 1192822088 /nfs/dbraw/zinc/82/20/88/1192822088.db2.gz OJSVJJJAJWLDLL-RTBURBONSA-N 2 0 388.512 0.510 20 0 GCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419164866 1192822186 /nfs/dbraw/zinc/82/21/86/1192822186.db2.gz ZOWPBFGWGVVGRK-RBUKOAKNSA-N 2 0 388.512 0.824 20 0 GCADRP COC[C@H](C)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419155462 1192823390 /nfs/dbraw/zinc/82/33/90/1192823390.db2.gz TXCPTNGNJOLYEK-MRXNPFEDSA-N 2 0 376.501 0.495 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCC(C)CC1 ZINC000419156078 1192824995 /nfs/dbraw/zinc/82/49/95/1192824995.db2.gz JDWWCAOQHZNGOY-NVXWUHKLSA-N 2 0 391.520 0.137 20 0 GCADRP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000419171176 1192825555 /nfs/dbraw/zinc/82/55/55/1192825555.db2.gz XEIDPIWNIIXEPS-IBGZPJMESA-N 2 0 388.512 0.591 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H](C)C[NH2+]1 ZINC000419172328 1192825833 /nfs/dbraw/zinc/82/58/33/1192825833.db2.gz YXUMGLOSRFJFJF-ZIFCJYIRSA-N 2 0 388.512 0.603 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419172289 1192825980 /nfs/dbraw/zinc/82/59/80/1192825980.db2.gz YWVNAYOBWTZETP-OALUTQOASA-N 2 0 390.528 0.883 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419176132 1192827671 /nfs/dbraw/zinc/82/76/71/1192827671.db2.gz YSMMPVHIGFRMCM-SJORKVTESA-N 2 0 395.548 0.069 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419176130 1192828198 /nfs/dbraw/zinc/82/81/98/1192828198.db2.gz YSMMPVHIGFRMCM-IAGOWNOFSA-N 2 0 395.548 0.069 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169456 1192829016 /nfs/dbraw/zinc/82/90/16/1192829016.db2.gz UVNHVWKDQZZPEJ-GOSISDBHSA-N 2 0 388.512 0.604 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[C@@H]1[NH3+] ZINC000419168356 1192829529 /nfs/dbraw/zinc/82/95/29/1192829529.db2.gz RSQAKNYAORHXGB-NEWSRXKRSA-N 2 0 388.512 0.589 20 0 GCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419192580 1192831442 /nfs/dbraw/zinc/83/14/42/1192831442.db2.gz PIPISSKVHHREAT-RTBURBONSA-N 2 0 384.524 0.878 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000419196041 1192832426 /nfs/dbraw/zinc/83/24/26/1192832426.db2.gz ALVHXIDANCICLC-NVXWUHKLSA-N 2 0 376.501 0.687 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000419196407 1192832951 /nfs/dbraw/zinc/83/29/51/1192832951.db2.gz AVZRCDBYDVUVEX-WDSOQIARSA-N 2 0 388.512 0.829 20 0 GCADRP CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000419182562 1192834421 /nfs/dbraw/zinc/83/44/21/1192834421.db2.gz CKIZHMZUNJXHSD-LJQANCHMSA-N 2 0 388.512 0.639 20 0 GCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419181453 1192833819 /nfs/dbraw/zinc/83/38/19/1192833819.db2.gz BIUYDVYIKNONKM-UHFFFAOYSA-N 2 0 387.528 0.097 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000419185467 1192835173 /nfs/dbraw/zinc/83/51/73/1192835173.db2.gz DKCNCXKVILWWNT-WMZOPIPTSA-N 2 0 376.501 0.508 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419198328 1192837103 /nfs/dbraw/zinc/83/71/03/1192837103.db2.gz CDRNZYJUGUASHA-OAGGEKHMSA-N 2 0 376.501 0.623 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419198854 1192838475 /nfs/dbraw/zinc/83/84/75/1192838475.db2.gz CXXMLZLLEVZSCQ-VQIMIIECSA-N 2 0 388.512 0.863 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc2)C[C@H](C)O1 ZINC000419199030 1192838599 /nfs/dbraw/zinc/83/85/99/1192838599.db2.gz DJMORSQANGPBNR-GASCZTMLSA-N 2 0 376.501 0.766 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000419203681 1192842833 /nfs/dbraw/zinc/84/28/33/1192842833.db2.gz ICXFYSSKUHDRTD-FQEVSTJZSA-N 2 0 376.501 0.749 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000419203684 1192843441 /nfs/dbraw/zinc/84/34/41/1192843441.db2.gz ICXFYSSKUHDRTD-HXUWFJFHSA-N 2 0 376.501 0.749 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419204234 1192848154 /nfs/dbraw/zinc/84/81/54/1192848154.db2.gz IPUPYSSMDBJSEP-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419205570 1192851694 /nfs/dbraw/zinc/85/16/94/1192851694.db2.gz JGUMATPUNZCJSF-CGTJXYLNSA-N 2 0 388.512 0.996 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000419204596 1192846447 /nfs/dbraw/zinc/84/64/47/1192846447.db2.gz JGEJKYUEQJEZLI-SJORKVTESA-N 2 0 388.516 0.083 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000419205276 1192854545 /nfs/dbraw/zinc/85/45/45/1192854545.db2.gz JQIANSAYLYRFPS-MRXNPFEDSA-N 2 0 376.501 0.749 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419204774 1192857590 /nfs/dbraw/zinc/85/75/90/1192857590.db2.gz JDVDLUCXTKVTPF-LPHOPBHVSA-N 2 0 388.512 0.721 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)C1 ZINC000419204784 1192857711 /nfs/dbraw/zinc/85/77/11/1192857711.db2.gz JEYJDGBMIGLSGY-APWZRJJASA-N 2 0 388.512 0.721 20 0 GCADRP CC[NH+]1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000893873873 1192870472 /nfs/dbraw/zinc/87/04/72/1192870472.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 2 0 382.549 0.981 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccn1 ZINC000893914303 1192875844 /nfs/dbraw/zinc/87/58/44/1192875844.db2.gz NJAMWYUPKLVMKR-MSOLQXFVSA-N 2 0 391.516 0.763 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C1CC[NH+](C)CC1 ZINC000410727994 1192880333 /nfs/dbraw/zinc/88/03/33/1192880333.db2.gz CXAWVUQYZXUFPW-SCTDSRPQSA-N 2 0 391.560 0.308 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000419212479 1192900142 /nfs/dbraw/zinc/90/01/42/1192900142.db2.gz KHIDVHGERPTLKU-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419211918 1192900440 /nfs/dbraw/zinc/90/04/40/1192900440.db2.gz YOFBXXZUXBNSEB-NVXWUHKLSA-N 2 0 388.516 0.178 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000419213106 1192902561 /nfs/dbraw/zinc/90/25/61/1192902561.db2.gz KZICNFJLUBTZPC-OKZBNKHCSA-N 2 0 388.512 0.748 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000410800391 1192904277 /nfs/dbraw/zinc/90/42/77/1192904277.db2.gz HJNKWJAFHJGXQT-LJQANCHMSA-N 2 0 393.576 0.559 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000419214519 1192905128 /nfs/dbraw/zinc/90/51/28/1192905128.db2.gz MYOZGBLIGKKCPL-KRWDZBQOSA-N 2 0 376.501 0.831 20 0 GCADRP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410831991 1192908152 /nfs/dbraw/zinc/90/81/52/1192908152.db2.gz BCEJMIPXWBCSEB-UHFFFAOYSA-N 2 0 382.549 0.746 20 0 GCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000410886946 1192913655 /nfs/dbraw/zinc/91/36/55/1192913655.db2.gz PESAEOMSMNZHMH-RTBURBONSA-N 2 0 395.592 0.802 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000274557696 1184099370 /nfs/dbraw/zinc/09/93/70/1184099370.db2.gz ZICONMXFFSWJGY-MRXNPFEDSA-N 2 0 397.545 0.478 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000643542147 1184121105 /nfs/dbraw/zinc/12/11/05/1184121105.db2.gz XTEVXBRBCMDEHL-QAPCUYQASA-N 2 0 392.500 0.160 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000274635425 1184132493 /nfs/dbraw/zinc/13/24/93/1184132493.db2.gz JAMQPFXIVXNEEJ-UHFFFAOYSA-N 2 0 391.560 0.938 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000643543060 1184137881 /nfs/dbraw/zinc/13/78/81/1184137881.db2.gz NZVVFBIXRDYQJQ-XGXHKWSGSA-N 2 0 393.576 0.588 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)CC[N@@H+]1C ZINC000969223658 1184207856 /nfs/dbraw/zinc/20/78/56/1184207856.db2.gz MSDCRYJNDUXQFO-MLHJIOFPSA-N 2 0 385.468 0.366 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418839130 1184259351 /nfs/dbraw/zinc/25/93/51/1184259351.db2.gz DBUQYGCHSAMXQN-MOPGFXCFSA-N 2 0 387.528 0.307 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000418967047 1184274965 /nfs/dbraw/zinc/27/49/65/1184274965.db2.gz RHVHIQIEHOGQGY-OAHLLOKOSA-N 2 0 378.473 0.072 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)CC[N@@H+]1C ZINC000969511768 1184332988 /nfs/dbraw/zinc/33/29/88/1184332988.db2.gz BABRAXQYGDNFRH-HZMVEIRTSA-N 2 0 380.533 0.279 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000109171287 1184335940 /nfs/dbraw/zinc/33/59/40/1184335940.db2.gz FBAIWYKIRXCSRL-HXUWFJFHSA-N 2 0 395.592 0.937 20 0 GCADRP CCCN1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2C1 ZINC000579854433 1184341388 /nfs/dbraw/zinc/34/13/88/1184341388.db2.gz YXCGCTYBCOOBEJ-GDBMZVCRSA-N 2 0 385.468 0.121 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000579866795 1184408250 /nfs/dbraw/zinc/40/82/50/1184408250.db2.gz HMPFONSSINYFMB-FUHWJXTLSA-N 2 0 390.528 0.885 20 0 GCADRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000471219696 1184463368 /nfs/dbraw/zinc/46/33/68/1184463368.db2.gz IYSUGUJAWTUANG-AWEZNQCLSA-N 2 0 383.537 0.637 20 0 GCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000154776898 1184469916 /nfs/dbraw/zinc/46/99/16/1184469916.db2.gz IEPAOKQGCUEKRX-UHFFFAOYSA-N 2 0 377.445 0.115 20 0 GCADRP O=C(CNC(=O)c1cccc(O)c1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275333032 1184611626 /nfs/dbraw/zinc/61/16/26/1184611626.db2.gz QAKGYFXBIUUTPL-UHFFFAOYSA-N 2 0 397.479 0.846 20 0 GCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@H]1C2 ZINC001167229053 1184648785 /nfs/dbraw/zinc/64/87/85/1184648785.db2.gz OKIHZUGSBNATGX-VMWDTQKESA-N 2 0 377.876 0.611 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275466458 1184679703 /nfs/dbraw/zinc/67/97/03/1184679703.db2.gz AEFZTMMQFWSSPZ-KRWDZBQOSA-N 2 0 389.544 0.871 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642729080 1184753268 /nfs/dbraw/zinc/75/32/68/1184753268.db2.gz BKTNGXDSOKNSGC-ISARSNTHSA-N 2 0 388.512 0.588 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000642729079 1184753409 /nfs/dbraw/zinc/75/34/09/1184753409.db2.gz BKTNGXDSOKNSGC-DKKFBQAASA-N 2 0 388.512 0.588 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCN1c1cc[nH+]cc1 ZINC000890986175 1184803916 /nfs/dbraw/zinc/80/39/16/1184803916.db2.gz HUSRKIGFHXYDJA-OAHLLOKOSA-N 2 0 385.472 0.516 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000579996609 1184896081 /nfs/dbraw/zinc/89/60/81/1184896081.db2.gz FBNFITLDXVRAOV-UKBAYJJMSA-N 2 0 394.560 0.717 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000579997368 1184899961 /nfs/dbraw/zinc/89/99/61/1184899961.db2.gz JTMWKKAUADDOPJ-SFHVURJKSA-N 2 0 394.560 0.795 20 0 GCADRP COCCCN(CCO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275711500 1184947575 /nfs/dbraw/zinc/94/75/75/1184947575.db2.gz ZHMUGHYUAXAUTA-UHFFFAOYSA-N 2 0 379.505 0.634 20 0 GCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)nn1 ZINC000656029040 1184964644 /nfs/dbraw/zinc/96/46/44/1184964644.db2.gz URYUWVKHDWOGCK-ZACQAIPSSA-N 2 0 389.504 0.033 20 0 GCADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000580054218 1185035601 /nfs/dbraw/zinc/03/56/01/1185035601.db2.gz SBLQEXFBUPJTQX-ARFHVFGLSA-N 2 0 385.434 0.959 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC000642782855 1185068366 /nfs/dbraw/zinc/06/83/66/1185068366.db2.gz AEGARULFNBHQQQ-YJBOKZPZSA-N 2 0 392.500 0.208 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000642784433 1185097064 /nfs/dbraw/zinc/09/70/64/1185097064.db2.gz XDUOTHJLJQLWJJ-VYDXJSESSA-N 2 0 376.501 0.807 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000580324466 1185163642 /nfs/dbraw/zinc/16/36/42/1185163642.db2.gz UONFKQJCGJOFTL-GJZGRUSLSA-N 2 0 378.439 0.582 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000580411025 1185222474 /nfs/dbraw/zinc/22/24/74/1185222474.db2.gz YKCZGFGUMXKEOK-IBGZPJMESA-N 2 0 390.528 0.975 20 0 GCADRP CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000580476860 1185245251 /nfs/dbraw/zinc/24/52/51/1185245251.db2.gz MFAPTKQKHCGKAK-ZWKOTPCHSA-N 2 0 394.560 0.861 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000580491334 1185251716 /nfs/dbraw/zinc/25/17/16/1185251716.db2.gz JWRVTBUUNILOTQ-ROUUACIJSA-N 2 0 382.549 0.717 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000580741140 1185325725 /nfs/dbraw/zinc/32/57/25/1185325725.db2.gz LIDAIIXXBFWSKX-LPHOPBHVSA-N 2 0 392.544 0.831 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656293608 1185352154 /nfs/dbraw/zinc/35/21/54/1185352154.db2.gz KZVOOJZMDNCZDA-QZTJIDSGSA-N 2 0 379.549 0.262 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656297009 1185355648 /nfs/dbraw/zinc/35/56/48/1185355648.db2.gz QLYDETCRBKXEBF-OALUTQOASA-N 2 0 393.576 0.653 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCN(C)CC1 ZINC000656299955 1185365929 /nfs/dbraw/zinc/36/59/29/1185365929.db2.gz FZGUJXYBQONPQO-FGTMMUONSA-N 2 0 379.549 0.119 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656300669 1185367870 /nfs/dbraw/zinc/36/78/70/1185367870.db2.gz SHHXXVFJSJPPKN-QYZOEREBSA-N 2 0 393.576 0.509 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656308852 1185384157 /nfs/dbraw/zinc/38/41/57/1185384157.db2.gz JGXFECWSNLUSJB-ZWKOTPCHSA-N 2 0 380.533 0.737 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000275993629 1185388432 /nfs/dbraw/zinc/38/84/32/1185388432.db2.gz KBTUTIBSZNBLFT-KRWDZBQOSA-N 2 0 394.520 0.343 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000580831018 1185390345 /nfs/dbraw/zinc/39/03/45/1185390345.db2.gz AULAXYLQXJTADM-LJQANCHMSA-N 2 0 387.528 0.492 20 0 GCADRP Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001707885946 1185402230 /nfs/dbraw/zinc/40/22/30/1185402230.db2.gz CJVRRHLXVBQMAH-QUCCMNQESA-N 2 0 391.564 0.258 20 0 GCADRP COC(=O)[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@H+](C)C1 ZINC000413410067 1185403343 /nfs/dbraw/zinc/40/33/43/1185403343.db2.gz JWNMTUOJRHRWFK-INIZCTEOSA-N 2 0 393.488 0.268 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@H+](C)C1 ZINC000413410069 1185403559 /nfs/dbraw/zinc/40/35/59/1185403559.db2.gz JWNMTUOJRHRWFK-MRXNPFEDSA-N 2 0 393.488 0.268 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656326729 1185422515 /nfs/dbraw/zinc/42/25/15/1185422515.db2.gz CLLAKDVOTIURTF-HCXYKTFWSA-N 2 0 392.544 0.614 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000656327665 1185422578 /nfs/dbraw/zinc/42/25/78/1185422578.db2.gz VTJXQNXWGZWKMB-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891349400 1185442951 /nfs/dbraw/zinc/44/29/51/1185442951.db2.gz UFJWXNIGNLBPSE-QRVBRYPASA-N 2 0 399.495 0.621 20 0 GCADRP C[NH+](C)CCOCCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000471633376 1185443772 /nfs/dbraw/zinc/44/37/72/1185443772.db2.gz FUMXKSTWTBYMAI-UHFFFAOYSA-N 2 0 377.533 0.811 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC000656353655 1185449438 /nfs/dbraw/zinc/44/94/38/1185449438.db2.gz BRVXSHFMYCBLGN-ROUUACIJSA-N 2 0 380.533 0.425 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000580967099 1185453212 /nfs/dbraw/zinc/45/32/12/1185453212.db2.gz AMHWIBBANJCGMX-RBUKOAKNSA-N 2 0 393.576 0.463 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000580967100 1185453247 /nfs/dbraw/zinc/45/32/47/1185453247.db2.gz AMHWIBBANJCGMX-RTBURBONSA-N 2 0 393.576 0.463 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000656355627 1185455768 /nfs/dbraw/zinc/45/57/68/1185455768.db2.gz MDTJAJNWTLATDG-KSZLIROESA-N 2 0 378.517 0.300 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnccc1OC ZINC000276010366 1185459429 /nfs/dbraw/zinc/45/94/29/1185459429.db2.gz LYENAKNWSVXUPH-OAHLLOKOSA-N 2 0 377.489 0.903 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000581013934 1185470283 /nfs/dbraw/zinc/47/02/83/1185470283.db2.gz MZWHTAARYHPCPZ-PXNSSMCTSA-N 2 0 384.528 0.553 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000471637543 1185472076 /nfs/dbraw/zinc/47/20/76/1185472076.db2.gz XGHIPFOCDWQDGA-OALUTQOASA-N 2 0 378.517 0.747 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000581063702 1185481392 /nfs/dbraw/zinc/48/13/92/1185481392.db2.gz NOSPJXDIOSKPAD-PBHICJAKSA-N 2 0 380.533 0.591 20 0 GCADRP CN(C(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152423 1185504176 /nfs/dbraw/zinc/50/41/76/1185504176.db2.gz BZEVKIGOFGWBSG-WIYYLYMNSA-N 3 0 393.576 0.591 20 0 GCADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000581146816 1185514975 /nfs/dbraw/zinc/51/49/75/1185514975.db2.gz AWJKIGFOCOYPKO-UHFFFAOYSA-N 2 0 381.565 0.271 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000581211034 1185531713 /nfs/dbraw/zinc/53/17/13/1185531713.db2.gz DYKJHHZBUUVTHD-QZTJIDSGSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581299808 1185574411 /nfs/dbraw/zinc/57/44/11/1185574411.db2.gz HXCFXTHZPYTMSU-IRXDYDNUSA-N 2 0 377.533 0.857 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC(CC[NH3+])CC3)cn2)CC1 ZINC000581316185 1185589011 /nfs/dbraw/zinc/58/90/11/1185589011.db2.gz KXJJAQMXQCQPTJ-UHFFFAOYSA-N 2 0 388.516 0.037 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562079 1185606542 /nfs/dbraw/zinc/60/65/42/1185606542.db2.gz CHSZLABHLAQITL-LSDHHAIUSA-N 2 0 386.504 0.071 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430584558 1185643541 /nfs/dbraw/zinc/64/35/41/1185643541.db2.gz UTOIIZBNLDZETN-UHFFFAOYSA-N 2 0 384.502 0.492 20 0 GCADRP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430603269 1185695387 /nfs/dbraw/zinc/69/53/87/1185695387.db2.gz JPOSRSYOFOUHFB-SFHVURJKSA-N 2 0 390.528 0.928 20 0 GCADRP CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000581476596 1185710017 /nfs/dbraw/zinc/71/00/17/1185710017.db2.gz YTSXZDSNKYKUDL-UHFFFAOYSA-N 2 0 375.517 0.877 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000581474565 1185710961 /nfs/dbraw/zinc/71/09/61/1185710961.db2.gz IVXZKGCWXMIGEC-HDICACEKSA-N 2 0 381.565 0.414 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891414151 1185723128 /nfs/dbraw/zinc/72/31/28/1185723128.db2.gz GHCKHBXTUWASLW-HHARLNAUSA-N 2 0 379.505 0.683 20 0 GCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000581511444 1185734531 /nfs/dbraw/zinc/73/45/31/1185734531.db2.gz MEHVTHOTENZZLM-ROUUACIJSA-N 2 0 382.549 0.669 20 0 GCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891424397 1185743921 /nfs/dbraw/zinc/74/39/21/1185743921.db2.gz USXJALMRWBWVAG-HVKXIDHRSA-N 2 0 393.532 0.929 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430614291 1185775740 /nfs/dbraw/zinc/77/57/40/1185775740.db2.gz XWKASTGSCDAPDL-SJLPKXTDSA-N 2 0 392.475 0.513 20 0 GCADRP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614093 1185776131 /nfs/dbraw/zinc/77/61/31/1185776131.db2.gz YCSWVXGXUWDFLD-HUUCEWRRSA-N 2 0 388.468 0.886 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430614290 1185776231 /nfs/dbraw/zinc/77/62/31/1185776231.db2.gz XWKASTGSCDAPDL-FUHWJXTLSA-N 2 0 392.475 0.513 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000581597870 1185780707 /nfs/dbraw/zinc/78/07/07/1185780707.db2.gz IEVJWFOLXDHOGG-NEWSRXKRSA-N 2 0 387.528 0.115 20 0 GCADRP O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000430617905 1185786256 /nfs/dbraw/zinc/78/62/56/1185786256.db2.gz PXKAXPPDNMKJFW-HNNXBMFYSA-N 2 0 388.468 0.888 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000430617683 1185786375 /nfs/dbraw/zinc/78/63/75/1185786375.db2.gz OHUJGHOEXOITCS-QGZVFWFLSA-N 2 0 387.484 0.156 20 0 GCADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619355 1185795167 /nfs/dbraw/zinc/79/51/67/1185795167.db2.gz BBLMFVYQCIBYCT-HIFRSBDPSA-N 2 0 375.473 0.759 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430620721 1185795540 /nfs/dbraw/zinc/79/55/40/1185795540.db2.gz BOXRIDWYWDEDBR-HNNXBMFYSA-N 2 0 383.496 0.840 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000430621791 1185797997 /nfs/dbraw/zinc/79/79/97/1185797997.db2.gz KEMQXTVIWPNIOB-CABCVRRESA-N 2 0 390.450 0.931 20 0 GCADRP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430622583 1185801167 /nfs/dbraw/zinc/80/11/67/1185801167.db2.gz FRWXHRMNMIVBMO-QGZVFWFLSA-N 2 0 376.476 0.928 20 0 GCADRP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430625928 1185809976 /nfs/dbraw/zinc/80/99/76/1185809976.db2.gz KEXSRURXOJRDHW-ZBFHGGJFSA-N 2 0 375.473 0.188 20 0 GCADRP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430626480 1185811387 /nfs/dbraw/zinc/81/13/87/1185811387.db2.gz LCVOWXOZJOXAIM-WMZOPIPTSA-N 2 0 388.512 0.844 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000430630955 1185817531 /nfs/dbraw/zinc/81/75/31/1185817531.db2.gz ZLNANSXYCISFPD-KRWDZBQOSA-N 2 0 393.557 0.179 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430629461 1185818067 /nfs/dbraw/zinc/81/80/67/1185818067.db2.gz QBRDBDMOENXRST-CQSZACIVSA-N 2 0 389.525 0.742 20 0 GCADRP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C ZINC000430643211 1185855279 /nfs/dbraw/zinc/85/52/79/1185855279.db2.gz QORQKAGIVZIMCA-OAHLLOKOSA-N 2 0 375.473 0.738 20 0 GCADRP CCCNC(=O)CN1CCC(NC(=O)CN2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000051202174 1185875031 /nfs/dbraw/zinc/87/50/31/1185875031.db2.gz OVUBYKLQMXZSFR-MRXNPFEDSA-N 2 0 396.532 0.368 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891464403 1185881842 /nfs/dbraw/zinc/88/18/42/1185881842.db2.gz GJYFIWBSKCIBNS-BBWFWOEESA-N 2 0 379.505 0.827 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCc1cccs1 ZINC000430656026 1185881942 /nfs/dbraw/zinc/88/19/42/1185881942.db2.gz SRTQTEDZCGYZKK-AWEZNQCLSA-N 2 0 393.513 0.218 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891464405 1185882312 /nfs/dbraw/zinc/88/23/12/1185882312.db2.gz GJYFIWBSKCIBNS-ZACQAIPSSA-N 2 0 379.505 0.827 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000569349028 1185884770 /nfs/dbraw/zinc/88/47/70/1185884770.db2.gz VQPAWSQRPLEQRM-QGZVFWFLSA-N 2 0 388.512 0.986 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891483485 1185887364 /nfs/dbraw/zinc/88/73/64/1185887364.db2.gz QJMXKGGCZLWFDW-KBPBESRZSA-N 2 0 375.464 0.473 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430656268 1185892762 /nfs/dbraw/zinc/89/27/62/1185892762.db2.gz SUVBWVQHJJNQBS-HNNXBMFYSA-N 2 0 380.464 0.498 20 0 GCADRP O=C(NCC[NH+]1CCC(O)CC1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000891506013 1185898974 /nfs/dbraw/zinc/89/89/74/1185898974.db2.gz SNYBJIDBFNBHRO-IBGZPJMESA-N 2 0 376.501 0.643 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891534332 1185908520 /nfs/dbraw/zinc/90/85/20/1185908520.db2.gz ACVAVQFDDNTGNY-KRWDZBQOSA-N 2 0 395.548 0.387 20 0 GCADRP C[C@H]1c2nncn2CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276585426 1185916305 /nfs/dbraw/zinc/91/63/05/1185916305.db2.gz PDKARHXNNRCQQP-INIZCTEOSA-N 2 0 384.488 0.972 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000891558980 1185918752 /nfs/dbraw/zinc/91/87/52/1185918752.db2.gz CKJRYCSOHYJYTF-IPYPFGDCSA-N 2 0 377.455 0.934 20 0 GCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891566284 1185920982 /nfs/dbraw/zinc/92/09/82/1185920982.db2.gz TZOXBXXSFGOBNU-PMACEKPBSA-N 2 0 387.528 0.407 20 0 GCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563298 1185921644 /nfs/dbraw/zinc/92/16/44/1185921644.db2.gz CQYOPBZNJAIPAZ-FXAWDEMLSA-N 2 0 381.565 0.799 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891563294 1185921912 /nfs/dbraw/zinc/92/19/12/1185921912.db2.gz COPJBOHYYWNLFH-QUCCMNQESA-N 2 0 379.549 0.568 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430669112 1185942653 /nfs/dbraw/zinc/94/26/53/1185942653.db2.gz SKDDQQDHZBNFFX-HNNXBMFYSA-N 2 0 398.454 0.734 20 0 GCADRP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430668342 1185943359 /nfs/dbraw/zinc/94/33/59/1185943359.db2.gz RCSIHLHRBNBKCH-HOTGVXAUSA-N 2 0 399.495 0.504 20 0 GCADRP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430668340 1185943723 /nfs/dbraw/zinc/94/37/23/1185943723.db2.gz RCSIHLHRBNBKCH-CVEARBPZSA-N 2 0 399.495 0.504 20 0 GCADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891647327 1185955802 /nfs/dbraw/zinc/95/58/02/1185955802.db2.gz TVWKBCOBKAWNRY-KURKYZTESA-N 2 0 391.516 0.970 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000785075521 1185959223 /nfs/dbraw/zinc/95/92/23/1185959223.db2.gz ZVLHXLSULUHKOJ-UHFFFAOYSA-N 2 0 391.516 0.461 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581937800 1185997744 /nfs/dbraw/zinc/99/77/44/1185997744.db2.gz RHHQSACJKWVKSC-PJVZLEMVSA-N 2 0 391.560 0.199 20 0 GCADRP C[C@@H](O)CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)CO ZINC000276765995 1186035245 /nfs/dbraw/zinc/03/52/45/1186035245.db2.gz NPTOQPJWQKSMPN-DLBZAZTESA-N 2 0 379.505 0.367 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000430936702 1186057564 /nfs/dbraw/zinc/05/75/64/1186057564.db2.gz WACFUWXEKPXOGD-MRXNPFEDSA-N 2 0 394.541 0.579 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(CCOC)CC[NH2+]C3)cn2)CC1 ZINC000431008606 1186099876 /nfs/dbraw/zinc/09/98/76/1186099876.db2.gz SCUGNLWUNXAHRZ-HXUWFJFHSA-N 2 0 375.517 0.856 20 0 GCADRP COCC[C@@]1(C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC[NH2+]C1 ZINC000431017704 1186103665 /nfs/dbraw/zinc/10/36/65/1186103665.db2.gz RLUORAPBHPDKAD-QUCCMNQESA-N 2 0 382.549 0.256 20 0 GCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000933847122 1186108743 /nfs/dbraw/zinc/10/87/43/1186108743.db2.gz LYAHUKYBTLJIQV-UHFFFAOYSA-N 2 0 394.560 0.938 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000642881250 1186127852 /nfs/dbraw/zinc/12/78/52/1186127852.db2.gz NGLVYGVVWCHEDK-DLBZAZTESA-N 2 0 380.533 0.866 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000582003628 1186180449 /nfs/dbraw/zinc/18/04/49/1186180449.db2.gz RHCVQRLXSZEXFM-YDHLFZDLSA-N 2 0 380.489 0.665 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000563055213 1186189196 /nfs/dbraw/zinc/18/91/96/1186189196.db2.gz RSGPBFVMMWGQNQ-INIZCTEOSA-N 2 0 384.488 0.107 20 0 GCADRP CO[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1OC ZINC000277086462 1186237491 /nfs/dbraw/zinc/23/74/91/1186237491.db2.gz CWJGWAVLMVLBNQ-HDICACEKSA-N 2 0 377.489 0.649 20 0 GCADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891972909 1186270631 /nfs/dbraw/zinc/27/06/31/1186270631.db2.gz MRPAIAIGOXSUOJ-IBGZPJMESA-N 2 0 375.517 0.400 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000892106224 1186344348 /nfs/dbraw/zinc/34/43/48/1186344348.db2.gz BMIIXKBQXZMOGN-GMTAPVOTSA-N 2 0 391.360 0.601 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCc1ccco1 ZINC000582194940 1186460830 /nfs/dbraw/zinc/46/08/30/1186460830.db2.gz GUHLTTNVASPMRR-UHFFFAOYSA-N 2 0 385.468 0.662 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000582203711 1186463307 /nfs/dbraw/zinc/46/33/07/1186463307.db2.gz QCCZDIGNWWEFFJ-QRVBRYPASA-N 2 0 392.544 0.567 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000582231500 1186470228 /nfs/dbraw/zinc/47/02/28/1186470228.db2.gz BZYRTQMTEBJTLA-ZBFHGGJFSA-N 2 0 392.500 0.620 20 0 GCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892254533 1186498653 /nfs/dbraw/zinc/49/86/53/1186498653.db2.gz ZVKCGYBIEJEMJC-VHPHOLNESA-N 2 0 399.495 0.709 20 0 GCADRP Cc1cccc(N2CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2)c1 ZINC000582346478 1186500893 /nfs/dbraw/zinc/50/08/93/1186500893.db2.gz HIKZYWYZMQLMKK-UHFFFAOYSA-N 2 0 389.544 0.595 20 0 GCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000582354528 1186502157 /nfs/dbraw/zinc/50/21/57/1186502157.db2.gz XBSNSVCMSVCQSA-INIZCTEOSA-N 2 0 394.541 0.944 20 0 GCADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000370931826 1186535249 /nfs/dbraw/zinc/53/52/49/1186535249.db2.gz ZIQZQUDPFGHVCT-OTWHNJEPSA-N 2 0 397.564 0.144 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000892263025 1186536753 /nfs/dbraw/zinc/53/67/53/1186536753.db2.gz KDSIFFOLTBDNQI-OCCSQVGLSA-N 2 0 393.454 0.756 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000582532605 1186558720 /nfs/dbraw/zinc/55/87/20/1186558720.db2.gz BWHHZNARDRPRRO-RTBURBONSA-N 2 0 393.576 0.556 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582595610 1186578603 /nfs/dbraw/zinc/57/86/03/1186578603.db2.gz OKWMSHCDMPKENI-QZTJIDSGSA-N 2 0 377.533 0.928 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000582680705 1186607603 /nfs/dbraw/zinc/60/76/03/1186607603.db2.gz LRECSKAJIOBUDS-ROUUACIJSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@@H]2F)[C@H](O)OC(C)(C)C)C1 ZINC001143446067 1186614491 /nfs/dbraw/zinc/61/44/91/1186614491.db2.gz PIIFPMLGHFUTOK-ZNLMQHJKSA-N 2 0 375.485 0.640 20 0 GCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCCC[C@H]1C ZINC000582701986 1186616546 /nfs/dbraw/zinc/61/65/46/1186616546.db2.gz WTXWPGQABFZAHM-CVEARBPZSA-N 2 0 390.532 1.467 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000237610747 1186697470 /nfs/dbraw/zinc/69/74/70/1186697470.db2.gz RFXGTCAGQYPJBV-IRXDYDNUSA-N 2 0 389.548 0.833 20 0 GCADRP COCC[N@H+](C)CCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069827332 1186714849 /nfs/dbraw/zinc/71/48/49/1186714849.db2.gz HUQVLRGRGNHPAD-LJQANCHMSA-N 2 0 377.533 0.853 20 0 GCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000582900192 1186725887 /nfs/dbraw/zinc/72/58/87/1186725887.db2.gz GYMXYPIWKDHHBH-ZVDOUQERSA-N 2 0 391.560 0.653 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000583134013 1186779516 /nfs/dbraw/zinc/77/95/16/1186779516.db2.gz KBFPUCIQWALHTM-ZHALLVOQSA-N 2 0 387.528 0.300 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000583134011 1186779598 /nfs/dbraw/zinc/77/95/98/1186779598.db2.gz KBFPUCIQWALHTM-AOIWGVFYSA-N 2 0 387.528 0.300 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC[N@H+](C)CC1 ZINC000583149361 1186781889 /nfs/dbraw/zinc/78/18/89/1186781889.db2.gz MYVPRCKXIQAVAT-MRXNPFEDSA-N 2 0 378.517 0.514 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000583207120 1186797501 /nfs/dbraw/zinc/79/75/01/1186797501.db2.gz MSGUHFBFSDEYCF-PMACEKPBSA-N 2 0 382.512 0.307 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H](C)C1 ZINC000583222010 1186799991 /nfs/dbraw/zinc/79/99/91/1186799991.db2.gz SVDRJRZPRTZZAR-MLHJIOFPSA-N 2 0 382.549 0.839 20 0 GCADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1S(N)(=O)=O ZINC000563622421 1186820079 /nfs/dbraw/zinc/82/00/79/1186820079.db2.gz HAXTTYAJOYFXNM-HUUCEWRRSA-N 2 0 380.514 0.902 20 0 GCADRP C[NH+](C)C1(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCCC1 ZINC000583486515 1186867774 /nfs/dbraw/zinc/86/77/74/1186867774.db2.gz BFCLXVWUZUDJIB-UHFFFAOYSA-N 2 0 381.565 0.957 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000583511593 1186875577 /nfs/dbraw/zinc/87/55/77/1186875577.db2.gz OGTIQMWOWVQFHP-RBUKOAKNSA-N 2 0 388.512 0.257 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000583513662 1186876191 /nfs/dbraw/zinc/87/61/91/1186876191.db2.gz QFLHBTUSVIGCCE-ROUUACIJSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)[N@H+]1CCO ZINC000458603173 1186894670 /nfs/dbraw/zinc/89/46/70/1186894670.db2.gz CJWPBFBWEMXZMF-IYBDPMFKSA-N 2 0 379.505 0.619 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583621689 1186902222 /nfs/dbraw/zinc/90/22/22/1186902222.db2.gz VWDUMCHJLRBYJR-IRXDYDNUSA-N 2 0 395.935 0.421 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583621687 1186902243 /nfs/dbraw/zinc/90/22/43/1186902243.db2.gz VWDUMCHJLRBYJR-DLBZAZTESA-N 2 0 395.935 0.421 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000536106873 1186920954 /nfs/dbraw/zinc/92/09/54/1186920954.db2.gz LZLBYVSMZRGXPA-UHFFFAOYSA-N 2 0 388.509 0.819 20 0 GCADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C[C@H](C)[N@H+]1CCO ZINC000458662797 1186930282 /nfs/dbraw/zinc/93/02/82/1186930282.db2.gz URFQBTPGGFJGBM-QKLQHJQFSA-N 2 0 390.528 0.850 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000583766363 1186935052 /nfs/dbraw/zinc/93/50/52/1186935052.db2.gz HCWVGTINOSKRPH-KURKYZTESA-N 2 0 390.528 0.812 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccsc1 ZINC000583802545 1186942475 /nfs/dbraw/zinc/94/24/75/1186942475.db2.gz DDBHJHZBFVHGSF-CVEARBPZSA-N 2 0 381.546 0.349 20 0 GCADRP COC(=O)Cn1cc(CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nn1 ZINC000158104265 1186959827 /nfs/dbraw/zinc/95/98/27/1186959827.db2.gz MDOIEEHDPNJKMK-HZPDHXFCSA-N 2 0 379.505 0.815 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151474077 1186983740 /nfs/dbraw/zinc/98/37/40/1186983740.db2.gz GIACSFFTXHTPCC-UHFFFAOYSA-N 2 0 386.500 0.974 20 0 GCADRP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000127192199 1186983902 /nfs/dbraw/zinc/98/39/02/1186983902.db2.gz GZPNYYDCJUQVTB-QGZVFWFLSA-N 2 0 395.573 0.853 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@H]2C1 ZINC000584194972 1187013639 /nfs/dbraw/zinc/01/36/39/1187013639.db2.gz IBAQTQPRERZUHW-BGTYHANMSA-N 2 0 378.517 0.033 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000685277347 1187020208 /nfs/dbraw/zinc/02/02/08/1187020208.db2.gz GPSLNLZKSYFYRJ-BZUAXINKSA-N 2 0 378.517 0.440 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000584295344 1187027925 /nfs/dbraw/zinc/02/79/25/1187027925.db2.gz ZRKYPZJLYHLMPU-GOSISDBHSA-N 2 0 393.576 0.367 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000584295345 1187028191 /nfs/dbraw/zinc/02/81/91/1187028191.db2.gz ZRKYPZJLYHLMPU-SFHVURJKSA-N 2 0 393.576 0.367 20 0 GCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000420972849 1187040216 /nfs/dbraw/zinc/04/02/16/1187040216.db2.gz BJIXOWCAJBRBNS-ZVDOUQERSA-N 2 0 382.593 0.949 20 0 GCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000420972847 1187040349 /nfs/dbraw/zinc/04/03/49/1187040349.db2.gz BJIXOWCAJBRBNS-ZJOUEHCJSA-N 2 0 382.593 0.949 20 0 GCADRP Cc1cn(C)c(CC(=O)N2CCC[NH+](C)CC2)c1C(=O)N1CCC[N@H+](C)CC1 ZINC000375751254 1187061911 /nfs/dbraw/zinc/06/19/11/1187061911.db2.gz YUNOSIVNLZSYTG-UHFFFAOYSA-N 2 0 389.544 0.818 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685306295 1187062769 /nfs/dbraw/zinc/06/27/69/1187062769.db2.gz AUNIYSMRYYUITI-BQFCYCMXSA-N 2 0 378.517 0.156 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)CC2)C1 ZINC000685501344 1187136731 /nfs/dbraw/zinc/13/67/31/1187136731.db2.gz XNSYVYYKVZIXDI-MOPGFXCFSA-N 2 0 391.560 0.358 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000685520193 1187142788 /nfs/dbraw/zinc/14/27/88/1187142788.db2.gz LCKBPZSOIWCWCU-QGZVFWFLSA-N 2 0 381.565 0.319 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001023970038 1187205702 /nfs/dbraw/zinc/20/57/02/1187205702.db2.gz CPHGKNBQLFDTHI-UTRMSSBJSA-N 2 0 388.512 0.390 20 0 GCADRP Cn1cc([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)NC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC000635725553 1187329229 /nfs/dbraw/zinc/32/92/29/1187329229.db2.gz NJEYTDVUKZGXRC-MRXNPFEDSA-N 2 0 390.532 0.377 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000658568908 1187349645 /nfs/dbraw/zinc/34/96/45/1187349645.db2.gz YTTVMEUCHLGHTR-ROUUACIJSA-N 2 0 379.549 0.025 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892464305 1187375715 /nfs/dbraw/zinc/37/57/15/1187375715.db2.gz BGRMRRYNTGROHQ-WBTXTPOCSA-N 2 0 387.528 0.941 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000658732075 1187433508 /nfs/dbraw/zinc/43/35/08/1187433508.db2.gz XLRLHFDWKUUNMW-RTBURBONSA-N 2 0 391.560 0.312 20 0 GCADRP C[NH+]1CCC(CNC(=O)NCCNc2cc[nH+]cc2)(N2CCOCC2)CC1 ZINC000413639329 1187449250 /nfs/dbraw/zinc/44/92/50/1187449250.db2.gz OIEDGHOXESXKHX-UHFFFAOYSA-N 2 0 376.505 0.011 20 0 GCADRP CON(C)S(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000728611506 1187455578 /nfs/dbraw/zinc/45/55/78/1187455578.db2.gz KGNHMWKURSOEHS-UHFFFAOYSA-N 2 0 386.518 0.434 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612446809 1187493543 /nfs/dbraw/zinc/49/35/43/1187493543.db2.gz XLNFHDQJTLGPAP-SFHVURJKSA-N 2 0 393.576 0.606 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000612481045 1187504296 /nfs/dbraw/zinc/50/42/96/1187504296.db2.gz OMWBQTIYFNMUMP-MOPGFXCFSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000612484488 1187505482 /nfs/dbraw/zinc/50/54/82/1187505482.db2.gz AZUDJXDVESHMPN-BZSNNMDCSA-N 2 0 382.549 0.839 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000612545786 1187522214 /nfs/dbraw/zinc/52/22/14/1187522214.db2.gz MTSWLBGPELZYGB-SFHVURJKSA-N 2 0 393.576 0.604 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612594372 1187534738 /nfs/dbraw/zinc/53/47/38/1187534738.db2.gz LEBPRHXFMGDTFL-SFHVURJKSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000612595933 1187536453 /nfs/dbraw/zinc/53/64/53/1187536453.db2.gz LKVLNDFBYUSHNW-WMZOPIPTSA-N 2 0 378.517 0.300 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597005 1187536468 /nfs/dbraw/zinc/53/64/68/1187536468.db2.gz ZLBVBFJXWLTSQU-AEFFLSMTSA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597007 1187536509 /nfs/dbraw/zinc/53/65/09/1187536509.db2.gz ZLBVBFJXWLTSQU-SJLPKXTDSA-N 2 0 380.533 0.450 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612597723 1187537498 /nfs/dbraw/zinc/53/74/98/1187537498.db2.gz LGHSIWKPZGHECQ-SFHVURJKSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000612599141 1187538457 /nfs/dbraw/zinc/53/84/57/1187538457.db2.gz PUJVEIRPQHJZQH-ZWKOTPCHSA-N 2 0 378.517 0.443 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000612599096 1187538711 /nfs/dbraw/zinc/53/87/11/1187538711.db2.gz OTOUSOGJKXUGCY-RBUKOAKNSA-N 2 0 392.544 0.833 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000612598318 1187538791 /nfs/dbraw/zinc/53/87/91/1187538791.db2.gz BUQHVVWXLNMAOQ-MSOLQXFVSA-N 2 0 378.517 0.443 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000612598320 1187538811 /nfs/dbraw/zinc/53/88/11/1187538811.db2.gz BUQHVVWXLNMAOQ-ROUUACIJSA-N 2 0 378.517 0.443 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000612599850 1187539304 /nfs/dbraw/zinc/53/93/04/1187539304.db2.gz CACXYKOWBMAIDN-SFHVURJKSA-N 2 0 378.517 0.443 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000612600588 1187539518 /nfs/dbraw/zinc/53/95/18/1187539518.db2.gz IKNVYCPDLUXQOO-RYRKJORJSA-N 2 0 380.533 0.593 20 0 GCADRP CC[NH+](CC)CCSCC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413879919 1187559285 /nfs/dbraw/zinc/55/92/85/1187559285.db2.gz NSHHQBUSQURNQR-UHFFFAOYSA-N 2 0 386.606 0.974 20 0 GCADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911694 1187618079 /nfs/dbraw/zinc/61/80/79/1187618079.db2.gz PLSAPUKCDBPKSH-HZPDHXFCSA-N 2 0 375.521 0.850 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612920501 1187620132 /nfs/dbraw/zinc/62/01/32/1187620132.db2.gz HRVRTYCQPDXROV-XHSDSOJGSA-N 2 0 375.521 0.978 20 0 GCADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCC1 ZINC000612929043 1187620136 /nfs/dbraw/zinc/62/01/36/1187620136.db2.gz CQYFKRSWGUODMF-OAHLLOKOSA-N 2 0 375.521 0.980 20 0 GCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612922339 1187620450 /nfs/dbraw/zinc/62/04/50/1187620450.db2.gz FXELKUFSKFGSQM-PMPSAXMXSA-N 2 0 375.521 0.706 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000612923379 1187621129 /nfs/dbraw/zinc/62/11/29/1187621129.db2.gz OHIMVPXUJABNAH-OAGGEKHMSA-N 2 0 375.521 0.849 20 0 GCADRP C[NH+](C)C1(C)CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892533338 1187700247 /nfs/dbraw/zinc/70/02/47/1187700247.db2.gz SYTHXRDWSGAHOD-ZRUZRRJWSA-N 2 0 379.505 0.826 20 0 GCADRP CC[N@H+]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[C@@H](C)C1 ZINC000589035790 1187726512 /nfs/dbraw/zinc/72/65/12/1187726512.db2.gz NTQGLLXLJJUTJJ-BZSNNMDCSA-N 2 0 379.549 0.070 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000376389024 1187808205 /nfs/dbraw/zinc/80/82/05/1187808205.db2.gz VCLIJJNYWUNCFG-GOSISDBHSA-N 2 0 380.581 0.434 20 0 GCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[NH+](C)[C@H](C)C3)CC2)C1 ZINC000332923842 1187818787 /nfs/dbraw/zinc/81/87/87/1187818787.db2.gz GHURTJAWKYEQOY-CEXWTWQISA-N 2 0 381.565 0.906 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)CC2)C1 ZINC000658977844 1187829900 /nfs/dbraw/zinc/82/99/00/1187829900.db2.gz KQKUBECAQBLERY-OALUTQOASA-N 2 0 391.560 0.312 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647567829 1187896237 /nfs/dbraw/zinc/89/62/37/1187896237.db2.gz BKXHTPGNBCQHBX-GOSISDBHSA-N 2 0 380.533 0.500 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000647594896 1187906306 /nfs/dbraw/zinc/90/63/06/1187906306.db2.gz XVCOREHWJAVTTJ-IAGOWNOFSA-N 2 0 389.544 0.682 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423716005 1187920267 /nfs/dbraw/zinc/92/02/67/1187920267.db2.gz ZXBQVTWRQLTWFZ-LJQANCHMSA-N 2 0 387.528 0.083 20 0 GCADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000659286571 1187925222 /nfs/dbraw/zinc/92/52/22/1187925222.db2.gz ADDHWIXVPPEELE-UHFFFAOYSA-N 2 0 386.460 0.705 20 0 GCADRP CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134915030 1187927590 /nfs/dbraw/zinc/92/75/90/1187927590.db2.gz LDBJDTAMBACMPB-IEBWSBKVSA-N 2 0 391.560 0.168 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000424460434 1187940349 /nfs/dbraw/zinc/94/03/49/1187940349.db2.gz YNIVRPBQGJPKGV-UHFFFAOYSA-N 2 0 389.500 0.451 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2ccncc2)CC1 ZINC000659318557 1187943283 /nfs/dbraw/zinc/94/32/83/1187943283.db2.gz FSELOATWMBVGCS-UHFFFAOYSA-N 2 0 375.517 0.739 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)CC2)C1 ZINC000659345139 1187945512 /nfs/dbraw/zinc/94/55/12/1187945512.db2.gz DAMVUSZAYXRWFN-MOPGFXCFSA-N 2 0 391.560 0.312 20 0 GCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344803 1187946099 /nfs/dbraw/zinc/94/60/99/1187946099.db2.gz KWRFYSGPJMOSHS-GOSISDBHSA-N 2 0 379.549 0.168 20 0 GCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344559 1187946327 /nfs/dbraw/zinc/94/63/27/1187946327.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 2 0 379.549 0.166 20 0 GCADRP NC(=O)c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000892680481 1187947761 /nfs/dbraw/zinc/94/77/61/1187947761.db2.gz ZHQGTUJHZCPPKU-SJORKVTESA-N 2 0 395.511 0.477 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000659439888 1187958402 /nfs/dbraw/zinc/95/84/02/1187958402.db2.gz JXWXDEDGSOHZDX-OAHLLOKOSA-N 2 0 377.489 0.755 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc2)CC1 ZINC000659449539 1187960352 /nfs/dbraw/zinc/96/03/52/1187960352.db2.gz IMBFDLZHXCBURH-QGZVFWFLSA-N 2 0 399.499 0.429 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659456775 1187961195 /nfs/dbraw/zinc/96/11/95/1187961195.db2.gz SFEOXTMQCKFJNG-WOJBJXKFSA-N 2 0 393.576 0.814 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000659470458 1187962314 /nfs/dbraw/zinc/96/23/14/1187962314.db2.gz BUOBHWLVQHOAIQ-CABCVRRESA-N 2 0 378.477 0.208 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000659513457 1187967472 /nfs/dbraw/zinc/96/74/72/1187967472.db2.gz YDFVFQDSZZUXQU-CGTJXYLNSA-N 2 0 378.517 0.251 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659541151 1187968753 /nfs/dbraw/zinc/96/87/53/1187968753.db2.gz ZTMLIVDUJSIESJ-GJZGRUSLSA-N 2 0 393.454 0.375 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1([NH3+])CCCC1 ZINC000659574077 1187972400 /nfs/dbraw/zinc/97/24/00/1187972400.db2.gz ZVEJVVGZBYFREU-KRWDZBQOSA-N 2 0 375.517 0.846 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659588608 1187973940 /nfs/dbraw/zinc/97/39/40/1187973940.db2.gz GRVCVVUHKGSHAJ-FHWLQOOXSA-N 2 0 375.492 0.960 20 0 GCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659608309 1187975953 /nfs/dbraw/zinc/97/59/53/1187975953.db2.gz MPPWWEPLDLHOBR-DLBZAZTESA-N 2 0 381.521 0.269 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659632813 1187979045 /nfs/dbraw/zinc/97/90/45/1187979045.db2.gz HXRXDGKRAQUTTJ-GJZGRUSLSA-N 2 0 391.520 0.341 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659632812 1187979197 /nfs/dbraw/zinc/97/91/97/1187979197.db2.gz HXRXDGKRAQUTTJ-GASCZTMLSA-N 2 0 391.520 0.341 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H](C[NH3+])C1 ZINC000659685150 1187996344 /nfs/dbraw/zinc/99/63/44/1187996344.db2.gz NYFMFEAJMWHPHJ-WBVHZDCISA-N 2 0 388.516 0.035 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000659697947 1187999934 /nfs/dbraw/zinc/99/99/34/1187999934.db2.gz LSAQXENYDJQLOJ-UHFFFAOYSA-N 2 0 387.528 0.703 20 0 GCADRP C[C@]1(CNC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000659723636 1188009162 /nfs/dbraw/zinc/00/91/62/1188009162.db2.gz OQJWQVDZDFTUPF-NRFANRHFSA-N 2 0 387.528 0.916 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659728488 1188011932 /nfs/dbraw/zinc/01/19/32/1188011932.db2.gz JPSKSUZJJXMSGB-MRXNPFEDSA-N 2 0 387.528 0.996 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000659757333 1188021025 /nfs/dbraw/zinc/02/10/25/1188021025.db2.gz XCUYKCHSYLOSDV-UHFFFAOYSA-N 2 0 380.533 0.581 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000377483603 1188035319 /nfs/dbraw/zinc/03/53/19/1188035319.db2.gz BGGMODVHHUTUDV-MRXNPFEDSA-N 2 0 393.532 0.726 20 0 GCADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000415328983 1188041348 /nfs/dbraw/zinc/04/13/48/1188041348.db2.gz MJBDOHQCIHGPFB-QGZVFWFLSA-N 2 0 387.484 0.918 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000472781564 1188047751 /nfs/dbraw/zinc/04/77/51/1188047751.db2.gz CGZVHNYKNLUNQT-ZWKOTPCHSA-N 2 0 396.580 0.254 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000415334113 1188051181 /nfs/dbraw/zinc/05/11/81/1188051181.db2.gz JTPPBPQHKPAMTR-CQSZACIVSA-N 2 0 375.473 0.644 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415345018 1188055022 /nfs/dbraw/zinc/05/50/22/1188055022.db2.gz OXANOCUUUNVFJG-OAHLLOKOSA-N 2 0 389.500 0.596 20 0 GCADRP C[NH2+]CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000415353618 1188058170 /nfs/dbraw/zinc/05/81/70/1188058170.db2.gz AQHOINXPVRLJAH-UHFFFAOYSA-N 2 0 375.473 0.775 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415420736 1188076126 /nfs/dbraw/zinc/07/61/26/1188076126.db2.gz BLEURNAXWAKSAH-GOSISDBHSA-N 2 0 375.517 0.862 20 0 GCADRP CC[NH+]1CCN(c2nc(C(N)=O)cc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000892971335 1188080189 /nfs/dbraw/zinc/08/01/89/1188080189.db2.gz QJKMSIKBOBRXMV-LSDHHAIUSA-N 2 0 375.521 0.636 20 0 GCADRP CC[NH+]1CCN(c2nc(C(N)=O)cc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971334 1188080646 /nfs/dbraw/zinc/08/06/46/1188080646.db2.gz QJKMSIKBOBRXMV-HUUCEWRRSA-N 2 0 375.521 0.636 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415456817 1188085432 /nfs/dbraw/zinc/08/54/32/1188085432.db2.gz WYHDWTUJJDXOEK-WMZOPIPTSA-N 2 0 387.528 0.958 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000415468948 1188087935 /nfs/dbraw/zinc/08/79/35/1188087935.db2.gz WJAGKXQCLRYNGY-APWZRJJASA-N 2 0 387.528 0.958 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000415555925 1188105631 /nfs/dbraw/zinc/10/56/31/1188105631.db2.gz GHWDZAZWXFDJMQ-UHFFFAOYSA-N 2 0 375.473 0.903 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000415562993 1188107359 /nfs/dbraw/zinc/10/73/59/1188107359.db2.gz APQBQVNLCYGKFB-OAQYLSRUSA-N 2 0 387.528 0.878 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000415588083 1188113647 /nfs/dbraw/zinc/11/36/47/1188113647.db2.gz GJPHSDWYDZBMGV-IBGZPJMESA-N 2 0 378.448 0.917 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000415588093 1188113786 /nfs/dbraw/zinc/11/37/86/1188113786.db2.gz GJPHSDWYDZBMGV-LJQANCHMSA-N 2 0 378.448 0.917 20 0 GCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000415592733 1188115216 /nfs/dbraw/zinc/11/52/16/1188115216.db2.gz CLCWXLVOYIUIPG-GOSISDBHSA-N 2 0 389.500 0.342 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO1 ZINC000415597842 1188117162 /nfs/dbraw/zinc/11/71/62/1188117162.db2.gz JZQBBIZTJXJPOT-KRWDZBQOSA-N 2 0 392.525 0.403 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000415607905 1188122960 /nfs/dbraw/zinc/12/29/60/1188122960.db2.gz RLASHBFZXMDZTO-KRWDZBQOSA-N 2 0 389.500 0.262 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000415655912 1188134297 /nfs/dbraw/zinc/13/42/97/1188134297.db2.gz KGMHSFGTBYGGCV-OAHLLOKOSA-N 2 0 391.516 0.890 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652691485 1188136695 /nfs/dbraw/zinc/13/66/95/1188136695.db2.gz VSCLGVGSRRPXPD-JZXOWHBKSA-N 2 0 380.533 0.722 20 0 GCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000415700652 1188143132 /nfs/dbraw/zinc/14/31/32/1188143132.db2.gz AFBXJAQPSZBEEP-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415726337 1188151915 /nfs/dbraw/zinc/15/19/15/1188151915.db2.gz OEVFSQZNIISNGV-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP CN(C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)C1C[NH2+]C1 ZINC000415729310 1188153255 /nfs/dbraw/zinc/15/32/55/1188153255.db2.gz BPSOSXYBXMJKBM-MRXNPFEDSA-N 2 0 387.484 0.222 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415751284 1188155582 /nfs/dbraw/zinc/15/55/82/1188155582.db2.gz VXIICMCCAQBOPC-DLBZAZTESA-N 2 0 385.512 0.835 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000415747382 1188157082 /nfs/dbraw/zinc/15/70/82/1188157082.db2.gz OPOKAYKTSYGXDB-RTBURBONSA-N 2 0 399.539 0.831 20 0 GCADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415758731 1188158269 /nfs/dbraw/zinc/15/82/69/1188158269.db2.gz IUJBHHSUGYZYTD-BWTSREIZSA-N 2 0 383.496 0.491 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000472893047 1188162943 /nfs/dbraw/zinc/16/29/43/1188162943.db2.gz AXKDXALNXADZMF-GOSISDBHSA-N 2 0 381.565 0.957 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896743 1188165520 /nfs/dbraw/zinc/16/55/20/1188165520.db2.gz AHMBOIRVGQQREP-RBUKOAKNSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472915280 1189383985 /nfs/dbraw/zinc/38/39/85/1189383985.db2.gz RKLUVWSTIMBZMB-QZTJIDSGSA-N 2 0 381.565 0.813 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415856418 1189386306 /nfs/dbraw/zinc/38/63/06/1189386306.db2.gz QKOWDDMWCLMRMC-LJQANCHMSA-N 2 0 387.528 0.673 20 0 GCADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000415865604 1189388204 /nfs/dbraw/zinc/38/82/04/1189388204.db2.gz UQUCFHIUJHADOE-QGZVFWFLSA-N 2 0 382.468 1.442 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415866720 1189388371 /nfs/dbraw/zinc/38/83/71/1189388371.db2.gz OMVLZQYPTQDEET-QGZVFWFLSA-N 2 0 392.525 0.321 20 0 GCADRP Cc1cc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1OCC[NH+](C)C ZINC000415868177 1189389511 /nfs/dbraw/zinc/38/95/11/1189389511.db2.gz YAEXIMYIJWANJH-INIZCTEOSA-N 2 0 378.473 0.450 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)c(C)c2)CC1 ZINC000415871035 1189390061 /nfs/dbraw/zinc/39/00/61/1189390061.db2.gz UQNVOOIYBSBHGW-KRWDZBQOSA-N 2 0 389.500 0.180 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000415873917 1189391308 /nfs/dbraw/zinc/39/13/08/1189391308.db2.gz ZOQBXLSNUHOFCS-KRWDZBQOSA-N 2 0 378.473 0.450 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415872999 1189393663 /nfs/dbraw/zinc/39/36/63/1189393663.db2.gz UCXDJAOJPIKUQV-ROUUACIJSA-N 2 0 385.512 0.440 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1F ZINC000415890097 1189395962 /nfs/dbraw/zinc/39/59/62/1189395962.db2.gz GZDGOUHXCRXWKL-KBPBESRZSA-N 2 0 378.448 0.773 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000415959057 1189409970 /nfs/dbraw/zinc/40/99/70/1189409970.db2.gz YIZZPXCUUPINBB-UHFFFAOYSA-N 2 0 391.520 0.897 20 0 GCADRP C[C@@H]1CC(=O)C[C@@H](C(=O)NCC2([NH+](C)C)CC2)[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416309243 1189487616 /nfs/dbraw/zinc/48/76/16/1189487616.db2.gz VBPSHVWSCOSPDI-DJIMGWMZSA-N 2 0 392.544 0.639 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccn1 ZINC000378572134 1189538084 /nfs/dbraw/zinc/53/80/84/1189538084.db2.gz BKHQFJIPTSYLDJ-SFHVURJKSA-N 2 0 375.517 0.874 20 0 GCADRP COc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)[NH+](C)C)cc1OC ZINC000416824270 1189586155 /nfs/dbraw/zinc/58/61/55/1189586155.db2.gz ZKYIFVOJEZIATH-JKSUJKDBSA-N 2 0 379.505 0.509 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000416854256 1189589163 /nfs/dbraw/zinc/58/91/63/1189589163.db2.gz UZQIKQJQBWMDHN-QZTJIDSGSA-N 2 0 375.517 0.656 20 0 GCADRP COC[C@]1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCC[NH2+]1 ZINC000416939545 1189596480 /nfs/dbraw/zinc/59/64/80/1189596480.db2.gz CXZZWMVFYJOUIH-LJQANCHMSA-N 2 0 376.505 0.401 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000416952455 1189600322 /nfs/dbraw/zinc/60/03/22/1189600322.db2.gz SOAHUOIZZPXLCV-ZNMIVQPWSA-N 2 0 395.470 0.621 20 0 GCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000416963625 1189601022 /nfs/dbraw/zinc/60/10/22/1189601022.db2.gz ZSFAIMIVFFYDBC-OQSMONGASA-N 2 0 387.532 0.804 20 0 GCADRP CC(C)[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCN(C)CC1 ZINC000416963612 1189601165 /nfs/dbraw/zinc/60/11/65/1189601165.db2.gz VIBIHWKXVZSLEE-QZTJIDSGSA-N 2 0 396.580 0.288 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000416976674 1189603072 /nfs/dbraw/zinc/60/30/72/1189603072.db2.gz RGAOVCDFLKHXBN-GOSISDBHSA-N 2 0 375.517 0.816 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000416978897 1189604393 /nfs/dbraw/zinc/60/43/93/1189604393.db2.gz WHFGBXKOWXGUCT-SFHVURJKSA-N 2 0 375.517 0.816 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015985 1189607884 /nfs/dbraw/zinc/60/78/84/1189607884.db2.gz HUFRISQLJBBFQV-MOPGFXCFSA-N 2 0 375.517 0.734 20 0 GCADRP C[C@H](O)C[C@@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274437232 1189608307 /nfs/dbraw/zinc/60/83/07/1189608307.db2.gz WRZJFQCNRPDOHH-PKOBYXMFSA-N 2 0 391.516 0.775 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](c2ccccc2)C1 ZINC000417022148 1189608744 /nfs/dbraw/zinc/60/87/44/1189608744.db2.gz NXFPCMVIBZQFTN-UXHICEINSA-N 2 0 388.560 0.568 20 0 GCADRP COCC1(CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000417273486 1189637438 /nfs/dbraw/zinc/63/74/38/1189637438.db2.gz SUEPBCDTJXOHPN-GOSISDBHSA-N 2 0 386.562 0.510 20 0 GCADRP C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417307894 1189644162 /nfs/dbraw/zinc/64/41/62/1189644162.db2.gz CEOQJZONKFQDPM-APWZRJJASA-N 2 0 387.528 0.930 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2OCCN2CCOCC2)CCCO1 ZINC000417319402 1189646093 /nfs/dbraw/zinc/64/60/93/1189646093.db2.gz NJWZQLYRRVZHDX-SFHVURJKSA-N 2 0 392.500 0.657 20 0 GCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612918048 1189653432 /nfs/dbraw/zinc/65/34/32/1189653432.db2.gz JOSBERYPSZQWHZ-HRCADAONSA-N 2 0 375.521 0.836 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417433019 1189663769 /nfs/dbraw/zinc/66/37/69/1189663769.db2.gz UQUYJGMBPHMPKJ-OTWHNJEPSA-N 2 0 387.528 0.984 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000584795453 1189667597 /nfs/dbraw/zinc/66/75/97/1189667597.db2.gz OWOKZAASYANQBJ-MOPGFXCFSA-N 2 0 395.592 0.757 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000584795455 1189668018 /nfs/dbraw/zinc/66/80/18/1189668018.db2.gz OWOKZAASYANQBJ-OALUTQOASA-N 2 0 395.592 0.757 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000584793041 1189669427 /nfs/dbraw/zinc/66/94/27/1189669427.db2.gz GMMKLCCADFEAMQ-DOTOQJQBSA-N 2 0 375.473 0.080 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417488265 1189672012 /nfs/dbraw/zinc/67/20/12/1189672012.db2.gz CHLAWDUGOCOOHN-RTBURBONSA-N 2 0 377.533 0.899 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417496946 1189674845 /nfs/dbraw/zinc/67/48/45/1189674845.db2.gz ACHXPVGPSUOTHH-KRWDZBQOSA-N 2 0 375.521 0.772 20 0 GCADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641798619 1189678474 /nfs/dbraw/zinc/67/84/74/1189678474.db2.gz OPEHPDRDIBNSBY-IBGZPJMESA-N 2 0 381.565 0.957 20 0 GCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC[C@H]21 ZINC000584825492 1189682980 /nfs/dbraw/zinc/68/29/80/1189682980.db2.gz AXDRPHZHRDKRSS-RBUKOAKNSA-N 2 0 392.544 0.500 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000364165363 1189687467 /nfs/dbraw/zinc/68/74/67/1189687467.db2.gz PYSKJTPJTUHALT-IAGOWNOFSA-N 2 0 381.521 0.045 20 0 GCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000417621825 1189690274 /nfs/dbraw/zinc/69/02/74/1189690274.db2.gz LHBSHWIRANZFPZ-LSDHHAIUSA-N 2 0 377.493 0.319 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000584852932 1189693300 /nfs/dbraw/zinc/69/33/00/1189693300.db2.gz KLBZBLRCZIOOQP-RTBURBONSA-N 2 0 395.592 0.469 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H]1C ZINC000660257033 1189694322 /nfs/dbraw/zinc/69/43/22/1189694322.db2.gz FSDGXUGFXZXDFA-CEXWTWQISA-N 2 0 393.576 0.556 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@@H]1C ZINC000660257034 1189694473 /nfs/dbraw/zinc/69/44/73/1189694473.db2.gz FSDGXUGFXZXDFA-FHWLQOOXSA-N 2 0 393.576 0.556 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000417669829 1189694667 /nfs/dbraw/zinc/69/46/67/1189694667.db2.gz MYIDGXRPVZEWEV-FHWLQOOXSA-N 2 0 381.565 0.813 20 0 GCADRP C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000417758047 1189702256 /nfs/dbraw/zinc/70/22/56/1189702256.db2.gz UOMUNHWRECFZSL-HUUCEWRRSA-N 2 0 394.486 0.005 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000660342454 1189722597 /nfs/dbraw/zinc/72/25/97/1189722597.db2.gz BIVVHASHVTVKOF-AEFFLSMTSA-N 2 0 376.501 0.171 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000418110602 1189724703 /nfs/dbraw/zinc/72/47/03/1189724703.db2.gz FKCJOKHHPLVUKW-LSDHHAIUSA-N 2 0 395.470 0.623 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCO1 ZINC000418119201 1189725409 /nfs/dbraw/zinc/72/54/09/1189725409.db2.gz UOPDWRVDUAYLMC-MSOLQXFVSA-N 2 0 395.548 0.341 20 0 GCADRP CSC1(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC[NH+](C)CC1 ZINC000418196222 1189736304 /nfs/dbraw/zinc/73/63/04/1189736304.db2.gz HFCXEEYNLNUJJJ-HNNXBMFYSA-N 2 0 385.578 0.843 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000364329045 1189747054 /nfs/dbraw/zinc/74/70/54/1189747054.db2.gz FDAZVPJZSRMZHC-MOPGFXCFSA-N 2 0 381.565 0.909 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418293611 1189749490 /nfs/dbraw/zinc/74/94/90/1189749490.db2.gz FEKCFMJYCZNAGX-UHFFFAOYSA-N 2 0 388.560 0.351 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418295187 1189751834 /nfs/dbraw/zinc/75/18/34/1189751834.db2.gz HOYUYEZNJOSYOH-RTBURBONSA-N 2 0 375.517 0.074 20 0 GCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418299831 1189752472 /nfs/dbraw/zinc/75/24/72/1189752472.db2.gz OLJLYXNDMXPSRA-UHFFFAOYSA-N 2 0 394.608 0.729 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCC([NH3+])CC1 ZINC000418388451 1189773163 /nfs/dbraw/zinc/77/31/63/1189773163.db2.gz QCNHTRZSWRITAB-ABHNRTSZSA-N 2 0 375.517 0.845 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660507884 1189869664 /nfs/dbraw/zinc/86/96/64/1189869664.db2.gz CFHCKNQTYAFTQY-LJQANCHMSA-N 2 0 395.592 0.805 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660507883 1189869733 /nfs/dbraw/zinc/86/97/33/1189869733.db2.gz CFHCKNQTYAFTQY-IBGZPJMESA-N 2 0 395.592 0.805 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652125542 1189902562 /nfs/dbraw/zinc/90/25/62/1189902562.db2.gz XUANIMWEWOGYKI-LNLFQRSKSA-N 2 0 381.565 0.940 20 0 GCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711769 1189939329 /nfs/dbraw/zinc/93/93/29/1189939329.db2.gz GSBJRGUYBFWSQZ-IEBWSBKVSA-N 2 0 379.549 0.707 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660828919 1189955511 /nfs/dbraw/zinc/95/55/11/1189955511.db2.gz CFFQMMLEBFGFGO-PKOBYXMFSA-N 2 0 381.565 0.813 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000418571715 1189978123 /nfs/dbraw/zinc/97/81/23/1189978123.db2.gz ZEGYOYLTFVPQMY-QZTJIDSGSA-N 2 0 376.501 0.897 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)CC2)c1 ZINC000662718455 1190004614 /nfs/dbraw/zinc/00/46/14/1190004614.db2.gz OGOVZMOALKHFQL-HNNXBMFYSA-N 2 0 385.472 0.959 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000662753142 1190019425 /nfs/dbraw/zinc/01/94/25/1190019425.db2.gz NZBLBEXTAOGIAS-UHFFFAOYSA-N 2 0 384.484 0.860 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662774912 1190024943 /nfs/dbraw/zinc/02/49/43/1190024943.db2.gz UQKHFVUEWZRPCG-TZMCWYRMSA-N 2 0 389.426 0.159 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000662866585 1190061685 /nfs/dbraw/zinc/06/16/85/1190061685.db2.gz NQGMSRBXNRNZTH-WWGRRREGSA-N 2 0 376.411 0.966 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000662866586 1190061909 /nfs/dbraw/zinc/06/19/09/1190061909.db2.gz NQGMSRBXNRNZTH-XEZPLFJOSA-N 2 0 376.411 0.966 20 0 GCADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000662867282 1190063972 /nfs/dbraw/zinc/06/39/72/1190063972.db2.gz WODUUDATEPJPGH-XOKHGSTOSA-N 2 0 380.439 0.866 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000411016358 1193720887 /nfs/dbraw/zinc/72/08/87/1193720887.db2.gz ANUIEZGIYLYSQF-MSOLQXFVSA-N 2 0 382.549 0.887 20 0 GCADRP COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)CC2 ZINC000419228988 1193738775 /nfs/dbraw/zinc/73/87/75/1193738775.db2.gz HARGPRMABJYNGQ-INIZCTEOSA-N 2 0 390.484 0.128 20 0 GCADRP O=C(NCC[NH+]1CCC(O)CC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000894110431 1193740950 /nfs/dbraw/zinc/74/09/50/1193740950.db2.gz GRFFWPZKVQSRLK-LJQANCHMSA-N 2 0 376.501 0.509 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419233200 1193743056 /nfs/dbraw/zinc/74/30/56/1193743056.db2.gz VQPUBNBLERPTJN-OGWHTMIXSA-N 2 0 388.512 0.364 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512736437 1193748505 /nfs/dbraw/zinc/74/85/05/1193748505.db2.gz VBKQEKSWIUMIEF-DOTOQJQBSA-N 2 0 396.557 0.942 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CC1 ZINC000433114987 1193753615 /nfs/dbraw/zinc/75/36/15/1193753615.db2.gz HMDRLLXKJIQPBU-UHFFFAOYSA-N 2 0 399.499 0.736 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)CC1 ZINC000433120811 1193754326 /nfs/dbraw/zinc/75/43/26/1193754326.db2.gz PDFBNBKPBCBBFS-IBGZPJMESA-N 2 0 384.484 1.409 20 0 GCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000509796589 1193759328 /nfs/dbraw/zinc/75/93/28/1193759328.db2.gz WDIGOHKPAIMYAK-INIZCTEOSA-N 2 0 391.516 0.318 20 0 GCADRP COC(=O)CNC(=O)Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433127882 1193761987 /nfs/dbraw/zinc/76/19/87/1193761987.db2.gz JQXJSMAIHYDQQC-UHFFFAOYSA-N 2 0 390.484 0.660 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000433140378 1193763950 /nfs/dbraw/zinc/76/39/50/1193763950.db2.gz GXWVDXCUJSSEDQ-UHFFFAOYSA-N 2 0 394.541 0.723 20 0 GCADRP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433141925 1193764840 /nfs/dbraw/zinc/76/48/40/1193764840.db2.gz BQWZWQSTMYQMOO-QGZVFWFLSA-N 2 0 379.549 0.345 20 0 GCADRP CCNS(=O)(=O)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433152381 1193766519 /nfs/dbraw/zinc/76/65/19/1193766519.db2.gz QZECVXOZNLIQLY-UHFFFAOYSA-N 2 0 382.530 0.804 20 0 GCADRP CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433154032 1193767301 /nfs/dbraw/zinc/76/73/01/1193767301.db2.gz YJMGJRDKJVFHDH-CQSZACIVSA-N 2 0 382.530 0.975 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000433161679 1193769836 /nfs/dbraw/zinc/76/98/36/1193769836.db2.gz RVULGEYJEMUNDS-UHFFFAOYSA-N 2 0 387.528 0.655 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512813963 1193778299 /nfs/dbraw/zinc/77/82/99/1193778299.db2.gz KLJOVYUDHRWBJD-IBGZPJMESA-N 2 0 381.565 0.646 20 0 GCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000419273235 1193780369 /nfs/dbraw/zinc/78/03/69/1193780369.db2.gz WQRBFHDXVXTVDQ-GOSISDBHSA-N 2 0 376.501 0.639 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCO1 ZINC000419285001 1193785480 /nfs/dbraw/zinc/78/54/80/1193785480.db2.gz LRYUFWRXNZKRPS-LJQANCHMSA-N 2 0 388.512 0.865 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419288271 1193787308 /nfs/dbraw/zinc/78/73/08/1193787308.db2.gz SLHZMUZULWQBMD-UONOGXRCSA-N 2 0 379.480 0.466 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419291348 1193788357 /nfs/dbraw/zinc/78/83/57/1193788357.db2.gz WPHDJQZFUHOKKQ-YOEHRIQHSA-N 2 0 393.507 0.854 20 0 GCADRP [NH3+]CCN(CCO)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419289093 1193789254 /nfs/dbraw/zinc/78/92/54/1193789254.db2.gz SMYCRVUFEPNQJX-UHFFFAOYSA-N 2 0 376.501 0.458 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCCOCC1 ZINC000458835056 1193790985 /nfs/dbraw/zinc/79/09/85/1193790985.db2.gz CGROBUAYAQIYCK-OAQYLSRUSA-N 2 0 390.528 0.987 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419299346 1193792513 /nfs/dbraw/zinc/79/25/13/1193792513.db2.gz JPFVNXSRFMDLEK-OAHLLOKOSA-N 2 0 393.507 1.000 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419295983 1193793202 /nfs/dbraw/zinc/79/32/02/1193793202.db2.gz DKBDRMVGORTXOU-AWEZNQCLSA-N 2 0 391.491 0.704 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419306212 1193797991 /nfs/dbraw/zinc/79/79/91/1193797991.db2.gz XVIMDSGOIKKCPE-KBPBESRZSA-N 2 0 379.480 0.608 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419306614 1193799501 /nfs/dbraw/zinc/79/95/01/1193799501.db2.gz YITNIZSHQRLJQU-ZFWWWQNUSA-N 2 0 377.464 0.233 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419306612 1193799748 /nfs/dbraw/zinc/79/97/48/1193799748.db2.gz YITNIZSHQRLJQU-HIFRSBDPSA-N 2 0 377.464 0.233 20 0 GCADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)(N2CCOCC2)CC1 ZINC000419316819 1193808422 /nfs/dbraw/zinc/80/84/22/1193808422.db2.gz QYVPRJMXXJDNIK-GOSISDBHSA-N 2 0 378.492 0.608 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000333120749 1193812926 /nfs/dbraw/zinc/81/29/26/1193812926.db2.gz IDRNMTDWCVXEOM-RDJZCZTQSA-N 2 0 386.562 0.510 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000419331659 1193824394 /nfs/dbraw/zinc/82/43/94/1193824394.db2.gz HCZCPKBSOXIGSW-UHFFFAOYSA-N 2 0 387.528 0.262 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419331913 1193824427 /nfs/dbraw/zinc/82/44/27/1193824427.db2.gz HJWDLFDWFFZDJG-QGZVFWFLSA-N 2 0 376.501 0.973 20 0 GCADRP C[C@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000433408444 1193827604 /nfs/dbraw/zinc/82/76/04/1193827604.db2.gz BXPUGODYTOLPTA-LJQANCHMSA-N 2 0 394.608 0.539 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419339740 1193833016 /nfs/dbraw/zinc/83/30/16/1193833016.db2.gz MPBUEKHUUQDHER-UHFFFAOYSA-N 2 0 376.501 0.973 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000419346693 1193840966 /nfs/dbraw/zinc/84/09/66/1193840966.db2.gz VSNABJNCAMBVMT-MRXNPFEDSA-N 2 0 375.517 0.246 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000419345876 1193841705 /nfs/dbraw/zinc/84/17/05/1193841705.db2.gz UMGWFLARWVYIDE-QGZVFWFLSA-N 2 0 376.501 0.973 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000419349979 1193845400 /nfs/dbraw/zinc/84/54/00/1193845400.db2.gz YWJGBZZJWZHAAB-KRWDZBQOSA-N 2 0 387.528 0.248 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857520 /nfs/dbraw/zinc/85/75/20/1193857520.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 2 0 379.549 0.396 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419360946 1193863970 /nfs/dbraw/zinc/86/39/70/1193863970.db2.gz AGAVDTOOEJHZLA-YOEHRIQHSA-N 2 0 388.512 0.431 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419364765 1193866566 /nfs/dbraw/zinc/86/65/66/1193866566.db2.gz WWADORRZLNHKGF-UHFFFAOYSA-N 3 0 390.532 0.153 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419372397 1193875107 /nfs/dbraw/zinc/87/51/07/1193875107.db2.gz KPHSLTFPQSAZCF-ROUUACIJSA-N 2 0 388.512 0.167 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC[NH2+]1 ZINC000419388972 1193900347 /nfs/dbraw/zinc/90/03/47/1193900347.db2.gz KUYIPRSWESLTEI-RRQGHBQHSA-N 2 0 394.903 0.648 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC[NH2+]1 ZINC000419388971 1193900426 /nfs/dbraw/zinc/90/04/26/1193900426.db2.gz KUYIPRSWESLTEI-KBRIMQKVSA-N 2 0 394.903 0.648 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNC[C@@H]2c2nccn2C)CC1=O ZINC000261669997 1193922783 /nfs/dbraw/zinc/92/27/83/1193922783.db2.gz GIABROIVONWCCN-BRWVUGGUSA-N 2 0 388.516 0.226 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000664174762 1193946188 /nfs/dbraw/zinc/94/61/88/1193946188.db2.gz USRFRTRIFONNGH-INIZCTEOSA-N 2 0 383.537 0.149 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000513474829 1193955345 /nfs/dbraw/zinc/95/53/45/1193955345.db2.gz HRYAUJHWXFHSEN-HOTGVXAUSA-N 2 0 382.549 0.791 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513501040 1193957556 /nfs/dbraw/zinc/95/75/56/1193957556.db2.gz UDYRHEWLHSDFGR-KRWDZBQOSA-N 2 0 395.592 0.565 20 0 GCADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000458843114 1193960851 /nfs/dbraw/zinc/96/08/51/1193960851.db2.gz MMWCEEUTOZHMLB-MOPGFXCFSA-N 2 0 376.501 0.643 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000263075931 1193961803 /nfs/dbraw/zinc/96/18/03/1193961803.db2.gz CMCVCJMJYXGMPS-IBGZPJMESA-N 2 0 394.491 0.885 20 0 GCADRP CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466943545 1194011835 /nfs/dbraw/zinc/01/18/35/1194011835.db2.gz PQMKBCQZHQRHEO-ROUUACIJSA-N 2 0 388.516 0.693 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000419401302 1194020113 /nfs/dbraw/zinc/02/01/13/1194020113.db2.gz APMUOTWBAXNLKY-ZWKOTPCHSA-N 2 0 380.533 0.579 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000419401300 1194020136 /nfs/dbraw/zinc/02/01/36/1194020136.db2.gz APMUOTWBAXNLKY-QZTJIDSGSA-N 2 0 380.533 0.579 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC[NH2+]1 ZINC000419404526 1194020983 /nfs/dbraw/zinc/02/09/83/1194020983.db2.gz TXMQTSLOBPGRDR-DOTOQJQBSA-N 2 0 376.526 0.541 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419406440 1194021935 /nfs/dbraw/zinc/02/19/35/1194021935.db2.gz WVMXMQQQLLOYCZ-WDSOQIARSA-N 2 0 388.512 0.508 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419420657 1194023340 /nfs/dbraw/zinc/02/33/40/1194023340.db2.gz KCXZPZAPPUHGKH-IAGOWNOFSA-N 2 0 382.549 0.827 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419421762 1194023384 /nfs/dbraw/zinc/02/33/84/1194023384.db2.gz PNLFFCWDQBLFAD-QZTJIDSGSA-N 2 0 387.528 0.511 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419420147 1194023597 /nfs/dbraw/zinc/02/35/97/1194023597.db2.gz MLFVDAQJBUTBQM-IBGZPJMESA-N 2 0 387.528 0.131 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419421646 1194023628 /nfs/dbraw/zinc/02/36/28/1194023628.db2.gz OYKOHNOYKUJBDR-SFHVURJKSA-N 2 0 387.528 0.383 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419421003 1194024048 /nfs/dbraw/zinc/02/40/48/1194024048.db2.gz OECMRPLBQLSSEF-IBGZPJMESA-N 2 0 387.528 0.179 20 0 GCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419422458 1194024711 /nfs/dbraw/zinc/02/47/11/1194024711.db2.gz QHUNTOPWQOVRSH-LJQANCHMSA-N 2 0 387.528 0.655 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424767 1194025846 /nfs/dbraw/zinc/02/58/46/1194025846.db2.gz URIJZWRCRNDJAS-OALUTQOASA-N 2 0 387.528 0.431 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419425119 1194026536 /nfs/dbraw/zinc/02/65/36/1194026536.db2.gz VAUWZKIVANLEHM-KRWDZBQOSA-N 2 0 375.517 0.116 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419426559 1194026603 /nfs/dbraw/zinc/02/66/03/1194026603.db2.gz XUYRGCOMFOTMES-UHFFFAOYSA-N 2 0 399.539 0.741 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000419427026 1194027486 /nfs/dbraw/zinc/02/74/86/1194027486.db2.gz YGRDBEWCZPZUMT-MJGOQNOKSA-N 2 0 387.528 0.511 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000419414263 1194031629 /nfs/dbraw/zinc/03/16/29/1194031629.db2.gz GMFLLWFSOBUVGT-HSALFYBXSA-N 2 0 399.539 0.159 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419445694 1194035683 /nfs/dbraw/zinc/03/56/83/1194035683.db2.gz FBQXQFPRVNGGOO-KZNAEPCWSA-N 2 0 387.528 0.557 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419480884 1194040691 /nfs/dbraw/zinc/04/06/91/1194040691.db2.gz NSUWMOALMNTTKX-IRXDYDNUSA-N 2 0 395.548 0.071 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419482507 1194041146 /nfs/dbraw/zinc/04/11/46/1194041146.db2.gz QKKWDFZPZLINAY-XMTFNYHQSA-N 2 0 382.549 0.825 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000419501239 1194045868 /nfs/dbraw/zinc/04/58/68/1194045868.db2.gz AZCQAICUWXVDLA-MOPGFXCFSA-N 2 0 388.512 0.857 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000419501240 1194046084 /nfs/dbraw/zinc/04/60/84/1194046084.db2.gz AZCQAICUWXVDLA-OALUTQOASA-N 2 0 388.512 0.857 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1 ZINC000419509621 1194048318 /nfs/dbraw/zinc/04/83/18/1194048318.db2.gz FODJZAVWRWICHU-GOSISDBHSA-N 2 0 389.544 0.867 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000419533828 1194049968 /nfs/dbraw/zinc/04/99/68/1194049968.db2.gz JFFIIQUDFPABSW-ZWKOTPCHSA-N 2 0 376.501 0.762 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000419511704 1194050306 /nfs/dbraw/zinc/05/03/06/1194050306.db2.gz IXACSMHHWAIUMR-SFHVURJKSA-N 2 0 387.528 0.431 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419532456 1194050473 /nfs/dbraw/zinc/05/04/73/1194050473.db2.gz MTTNGCSPCVJYCL-FZCLSBEQSA-N 2 0 388.512 0.852 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419511654 1194051092 /nfs/dbraw/zinc/05/10/92/1194051092.db2.gz IMXSZTAHUBTXNU-UHFFFAOYSA-N 2 0 389.544 0.691 20 0 GCADRP C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@@H](C)C[N@@H+]1CCO ZINC000419514681 1194051619 /nfs/dbraw/zinc/05/16/19/1194051619.db2.gz PJKCCESUGOMXCA-CVEARBPZSA-N 2 0 379.505 0.619 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000419514985 1194051863 /nfs/dbraw/zinc/05/18/63/1194051863.db2.gz QHRURKQUPYGNAG-LJQANCHMSA-N 2 0 387.528 0.477 20 0 GCADRP C[NH2+]CCNC(=O)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419515419 1194052026 /nfs/dbraw/zinc/05/20/26/1194052026.db2.gz RHGOHUYGXAVNMF-UHFFFAOYSA-N 2 0 375.517 0.349 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000419518553 1194052704 /nfs/dbraw/zinc/05/27/04/1194052704.db2.gz YYCNDXGUQSYKEG-QGZVFWFLSA-N 2 0 375.517 0.477 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000419518566 1194052779 /nfs/dbraw/zinc/05/27/79/1194052779.db2.gz ZADPTQRBSXBBLS-SFHVURJKSA-N 2 0 387.528 0.573 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000419548473 1194057677 /nfs/dbraw/zinc/05/76/77/1194057677.db2.gz RHPXNUQYTSXVAQ-QWHCGFSZSA-N 2 0 395.470 0.031 20 0 GCADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419556895 1194058660 /nfs/dbraw/zinc/05/86/60/1194058660.db2.gz LCSJODKWPAQBQI-XHSDSOJGSA-N 2 0 393.557 0.989 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000419581543 1194060278 /nfs/dbraw/zinc/06/02/78/1194060278.db2.gz IKBLTCQIMPHODJ-CCKFTAQKSA-N 2 0 388.512 0.856 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000419584381 1194065402 /nfs/dbraw/zinc/06/54/02/1194065402.db2.gz ATMHDASNQPZPOF-CVEARBPZSA-N 2 0 388.512 0.468 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000419592825 1194067443 /nfs/dbraw/zinc/06/74/43/1194067443.db2.gz XIPJOEQOTSLICE-GJYPPUQNSA-N 2 0 382.574 0.921 20 0 GCADRP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C(=O)N(C)CC[NH3+])cc2)C[C@@H]1C ZINC000419601570 1194069593 /nfs/dbraw/zinc/06/95/93/1194069593.db2.gz WTPMZKNZKHELRD-IRXDYDNUSA-N 2 0 390.528 0.729 20 0 GCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419653805 1194074285 /nfs/dbraw/zinc/07/42/85/1194074285.db2.gz RIFYMSHFYGBZGD-RDJZCZTQSA-N 2 0 376.501 0.808 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000419650977 1194076979 /nfs/dbraw/zinc/07/69/79/1194076979.db2.gz DDOQJCRTIHIWKX-NZSAHSFTSA-N 2 0 388.512 0.732 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000419650974 1194077117 /nfs/dbraw/zinc/07/71/17/1194077117.db2.gz DDOQJCRTIHIWKX-BHIYHBOVSA-N 2 0 388.512 0.732 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000419650203 1194077156 /nfs/dbraw/zinc/07/71/56/1194077156.db2.gz CFQIKMDXZMZTLD-INIZCTEOSA-N 2 0 390.528 0.872 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419661414 1194077169 /nfs/dbraw/zinc/07/71/69/1194077169.db2.gz MQKYIVHYVPOWCV-SFHVURJKSA-N 2 0 390.528 0.744 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000419663501 1194077548 /nfs/dbraw/zinc/07/75/48/1194077548.db2.gz QEJMEGZPMBWOCO-NVXWUHKLSA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000419663149 1194077620 /nfs/dbraw/zinc/07/76/20/1194077620.db2.gz PPBCSSZOJLUZTI-HKUYNNGSSA-N 2 0 390.528 0.919 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000419661441 1194077623 /nfs/dbraw/zinc/07/76/23/1194077623.db2.gz MTBLBKLQHYBNRI-HZPDHXFCSA-N 2 0 376.501 0.495 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665492 1194078255 /nfs/dbraw/zinc/07/82/55/1194078255.db2.gz ORTWUAAXLHOOJX-YOEHRIQHSA-N 2 0 389.500 0.643 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000419668432 1194078955 /nfs/dbraw/zinc/07/89/55/1194078955.db2.gz YHWLWMBCNBIHJH-HZPDHXFCSA-N 2 0 376.501 0.842 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCCC1 ZINC000419678983 1194080533 /nfs/dbraw/zinc/08/05/33/1194080533.db2.gz FLFKMBFABMCWFK-KRWDZBQOSA-N 2 0 380.533 0.771 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419708202 1194083571 /nfs/dbraw/zinc/08/35/71/1194083571.db2.gz GYKWOPSPSSYJEX-RHSMWYFYSA-N 2 0 376.501 0.636 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419713667 1194090923 /nfs/dbraw/zinc/09/09/23/1194090923.db2.gz WMNQEHJFPUYINC-WZGPROSRSA-N 2 0 388.512 0.730 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419742672 1194094811 /nfs/dbraw/zinc/09/48/11/1194094811.db2.gz FARTXJSWBLDLAM-GOSISDBHSA-N 2 0 390.528 0.749 20 0 GCADRP CC(C)([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419747966 1194095903 /nfs/dbraw/zinc/09/59/03/1194095903.db2.gz TXHODUVOBJMLBX-UHFFFAOYSA-N 2 0 395.935 0.822 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419751012 1194096795 /nfs/dbraw/zinc/09/67/95/1194096795.db2.gz TYFMTQCZCWMFIP-GOSISDBHSA-N 2 0 390.528 0.893 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCCC[NH2+]C3CC3)CCCC2)CC1 ZINC000419752928 1194097359 /nfs/dbraw/zinc/09/73/59/1194097359.db2.gz MWFBQMSRDVUTES-UHFFFAOYSA-N 2 0 380.533 0.785 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419755995 1194098091 /nfs/dbraw/zinc/09/80/91/1194098091.db2.gz ROLPZPAFBVXRDD-INIZCTEOSA-N 2 0 380.533 0.737 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCCC2)CC1 ZINC000419759949 1194098848 /nfs/dbraw/zinc/09/88/48/1194098848.db2.gz YUGHEHUBBVIUGA-UHFFFAOYSA-N 2 0 382.549 0.970 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419777860 1194103897 /nfs/dbraw/zinc/10/38/97/1194103897.db2.gz NSXDMHGPCKIBNQ-WMLDXEAASA-N 2 0 398.454 0.221 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(C)C ZINC000419792782 1194104648 /nfs/dbraw/zinc/10/46/48/1194104648.db2.gz AIXOLTQBIOXELC-MSOLQXFVSA-N 2 0 382.549 0.966 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)C(C)C ZINC000419794910 1194105315 /nfs/dbraw/zinc/10/53/15/1194105315.db2.gz HYLMYSJFDHXECI-ROUUACIJSA-N 2 0 382.549 0.966 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419801026 1194105761 /nfs/dbraw/zinc/10/57/61/1194105761.db2.gz IYMPMFGISVYOPJ-QZTJIDSGSA-N 2 0 393.576 0.781 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000419800660 1194106313 /nfs/dbraw/zinc/10/63/13/1194106313.db2.gz IKFUFYJDDLFOLF-INIZCTEOSA-N 2 0 379.549 0.391 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824206 1194110568 /nfs/dbraw/zinc/11/05/68/1194110568.db2.gz MMAXPRCTAADPCP-IRXDYDNUSA-N 2 0 381.565 0.271 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000419812532 1194113273 /nfs/dbraw/zinc/11/32/73/1194113273.db2.gz GMAZVIFGJRCSNQ-NJAFHUGGSA-N 2 0 380.533 0.579 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419833119 1194116441 /nfs/dbraw/zinc/11/64/41/1194116441.db2.gz SJTSCQDTFOKUMP-FUHWJXTLSA-N 2 0 381.565 0.400 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419833120 1194116618 /nfs/dbraw/zinc/11/66/18/1194116618.db2.gz SJTSCQDTFOKUMP-SJLPKXTDSA-N 2 0 381.565 0.400 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCC2)cc1 ZINC000419831758 1194116727 /nfs/dbraw/zinc/11/67/27/1194116727.db2.gz XCILYIIFRUIJDT-QRQLOZEOSA-N 2 0 386.496 0.769 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419839820 1194118435 /nfs/dbraw/zinc/11/84/35/1194118435.db2.gz BYOOIYOZAWINIR-CALCHBBNSA-N 2 0 394.560 0.983 20 0 GCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)CC1 ZINC000419852781 1194120840 /nfs/dbraw/zinc/12/08/40/1194120840.db2.gz MDOAGWHRJCGHKZ-UHFFFAOYSA-N 2 0 379.549 0.121 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000419854175 1194121640 /nfs/dbraw/zinc/12/16/40/1194121640.db2.gz BIGMBBFHHSGRFD-RKVPGOIHSA-N 2 0 380.533 0.578 20 0 GCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419859706 1194123654 /nfs/dbraw/zinc/12/36/54/1194123654.db2.gz ZMPSQHKYFUUESJ-UHFFFAOYSA-N 2 0 389.544 0.508 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419862054 1194124783 /nfs/dbraw/zinc/12/47/83/1194124783.db2.gz CKTDLNKDDMHAOK-MRLCAUJQSA-N 2 0 379.549 0.390 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419864338 1194125186 /nfs/dbraw/zinc/12/51/86/1194125186.db2.gz IMXMYXCSVUAHHG-LJQANCHMSA-N 2 0 387.528 0.036 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000419865264 1194125761 /nfs/dbraw/zinc/12/57/61/1194125761.db2.gz JUJGHCMCGURRII-SFHVURJKSA-N 2 0 379.549 0.122 20 0 GCADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419865246 1194125817 /nfs/dbraw/zinc/12/58/17/1194125817.db2.gz JQBMTSSBTKEYQF-UHFFFAOYSA-N 2 0 381.565 0.367 20 0 GCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419851742 1194129420 /nfs/dbraw/zinc/12/94/20/1194129420.db2.gz JLTWAZYJFXVECT-HOTGVXAUSA-N 2 0 380.533 0.593 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1)CC1CC1 ZINC000419883314 1194131617 /nfs/dbraw/zinc/13/16/17/1194131617.db2.gz MVEYYFVFBVNWAE-UHFFFAOYSA-N 2 0 393.576 0.368 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000419905695 1194136917 /nfs/dbraw/zinc/13/69/17/1194136917.db2.gz WIFWBZLNTNTMAA-RTBURBONSA-N 2 0 388.512 0.811 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419904106 1194137409 /nfs/dbraw/zinc/13/74/09/1194137409.db2.gz PJKZIGRBIFAYFP-NZSAHSFTSA-N 2 0 393.576 0.650 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419913637 1194138118 /nfs/dbraw/zinc/13/81/18/1194138118.db2.gz PJKZIGRBIFAYFP-WDSOQIARSA-N 3 0 393.576 0.650 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419907478 1194141617 /nfs/dbraw/zinc/14/16/17/1194141617.db2.gz XMOZRZXDHHWYFG-GJZGRUSLSA-N 2 0 375.473 0.243 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419948847 1194143143 /nfs/dbraw/zinc/14/31/43/1194143143.db2.gz GMJZXDOAQMIXDQ-XYJFISCASA-N 2 0 382.549 0.824 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419950403 1194143337 /nfs/dbraw/zinc/14/33/37/1194143337.db2.gz MGSWNXZRDAAVDE-ULQDDVLXSA-N 2 0 382.549 0.696 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419948842 1194143364 /nfs/dbraw/zinc/14/33/64/1194143364.db2.gz GMJZXDOAQMIXDQ-JFIYKMOQSA-N 2 0 382.549 0.824 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933450 1194144524 /nfs/dbraw/zinc/14/45/24/1194144524.db2.gz GZBGPNKHVIVQGA-WIYYLYMNSA-N 2 0 388.512 0.340 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419939863 1194145848 /nfs/dbraw/zinc/14/58/48/1194145848.db2.gz YWFFFEFJPCFJJA-SFHVURJKSA-N 2 0 375.517 0.287 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419942561 1194146462 /nfs/dbraw/zinc/14/64/62/1194146462.db2.gz GCFRTUGJMKJBHD-OXQOHEQNSA-N 2 0 376.501 0.054 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419958853 1194147441 /nfs/dbraw/zinc/14/74/41/1194147441.db2.gz QNFXJYSXXNBARF-QGZVFWFLSA-N 2 0 381.565 0.493 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419960517 1194147936 /nfs/dbraw/zinc/14/79/36/1194147936.db2.gz WGAFXBDYQDYCJI-SJLPKXTDSA-N 2 0 375.517 0.866 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419964238 1194148410 /nfs/dbraw/zinc/14/84/10/1194148410.db2.gz WZODVKCWBZBCON-NXHRZFHOSA-N 2 0 381.565 0.493 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000419973698 1194150824 /nfs/dbraw/zinc/15/08/24/1194150824.db2.gz HALWTLGVKLOSLZ-QGZVFWFLSA-N 2 0 381.565 0.352 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419995100 1194154324 /nfs/dbraw/zinc/15/43/24/1194154324.db2.gz HSAOJBCPZJIZCJ-ZHALLVOQSA-N 2 0 394.560 0.983 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)c1cc(C(N)=O)nc(N(C)C[C@H]2CCC[NH+]2C)n1 ZINC000894246958 1194156407 /nfs/dbraw/zinc/15/64/07/1194156407.db2.gz BAWORIQHFRNXER-HUUCEWRRSA-N 2 0 375.521 0.636 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420030682 1194160031 /nfs/dbraw/zinc/16/00/31/1194160031.db2.gz GRGJBNVRXVFRGP-PBHICJAKSA-N 2 0 394.491 0.945 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420030684 1194160750 /nfs/dbraw/zinc/16/07/50/1194160750.db2.gz GRGJBNVRXVFRGP-RHSMWYFYSA-N 2 0 394.491 0.945 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420030686 1194161039 /nfs/dbraw/zinc/16/10/39/1194161039.db2.gz GRGJBNVRXVFRGP-WMLDXEAASA-N 2 0 394.491 0.945 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420062790 1194165150 /nfs/dbraw/zinc/16/51/50/1194165150.db2.gz NCQTYWXXPRELLV-YOEHRIQHSA-N 2 0 394.491 0.945 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420042464 1194166864 /nfs/dbraw/zinc/16/68/64/1194166864.db2.gz QRKJGVBAFIKLRU-UKRRQHHQSA-N 2 0 382.530 0.868 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000420055377 1194170739 /nfs/dbraw/zinc/17/07/39/1194170739.db2.gz GNHYXYKCPDKFCK-IIDMSEBBSA-N 2 0 380.533 0.578 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420055152 1194170743 /nfs/dbraw/zinc/17/07/43/1194170743.db2.gz HQBKFFUILLXIRY-ZFWWWQNUSA-N 2 0 382.530 0.868 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@@H](C)O1 ZINC000420089153 1194172125 /nfs/dbraw/zinc/17/21/25/1194172125.db2.gz JFNBYRUEDHBRKS-HZPDHXFCSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420089154 1194172221 /nfs/dbraw/zinc/17/22/21/1194172221.db2.gz JFNBYRUEDHBRKS-IYBDPMFKSA-N 2 0 380.533 0.722 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000420107023 1194179651 /nfs/dbraw/zinc/17/96/51/1194179651.db2.gz WVXCAPFWCYRNGM-JCKWVBRZSA-N 2 0 394.466 0.937 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCN1C1CC[NH+](C)CC1 ZINC000420105771 1194179710 /nfs/dbraw/zinc/17/97/10/1194179710.db2.gz SUIFFRMRUFEUAN-INIZCTEOSA-N 2 0 399.539 0.533 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000420107024 1194180058 /nfs/dbraw/zinc/18/00/58/1194180058.db2.gz WVXCAPFWCYRNGM-JOQOYGCGSA-N 2 0 394.466 0.937 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C[C@H](C)O1 ZINC000420109877 1194181350 /nfs/dbraw/zinc/18/13/50/1194181350.db2.gz FEGAAMJMSXSXOC-VXIBKDFQSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000420114676 1194185415 /nfs/dbraw/zinc/18/54/15/1194185415.db2.gz GATLVXYMNZCYBR-SJLPKXTDSA-N 2 0 388.512 0.893 20 0 GCADRP C[C@@]1(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000420113792 1194185454 /nfs/dbraw/zinc/18/54/54/1194185454.db2.gz YNFSFBKPIMECJY-HXUWFJFHSA-N 2 0 380.533 0.596 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000420115718 1194186031 /nfs/dbraw/zinc/18/60/31/1194186031.db2.gz FMYTYCMYTJGLEL-OKZBNKHCSA-N 2 0 381.565 0.637 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCN1C1CC[NH+](C)CC1 ZINC000420125975 1194188944 /nfs/dbraw/zinc/18/89/44/1194188944.db2.gz RFEVFTKROHLJIP-MRXNPFEDSA-N 2 0 379.549 0.119 20 0 GCADRP COc1ccc(CN2CCCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000420132157 1194189950 /nfs/dbraw/zinc/18/99/50/1194189950.db2.gz AJTBSLFTHHKBCG-UHFFFAOYSA-N 2 0 386.496 0.765 20 0 GCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420155806 1194190816 /nfs/dbraw/zinc/19/08/16/1194190816.db2.gz DQMBDUDITZEQDI-KRWDZBQOSA-N 2 0 380.533 0.452 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000420162371 1194191715 /nfs/dbraw/zinc/19/17/15/1194191715.db2.gz KKLAUNUDPBIYLT-SQNIBIBYSA-N 2 0 393.576 0.365 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)c1 ZINC000420152682 1194194404 /nfs/dbraw/zinc/19/44/04/1194194404.db2.gz ALFPGMGMRWFHPT-INIZCTEOSA-N 2 0 389.500 0.633 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420181102 1194197250 /nfs/dbraw/zinc/19/72/50/1194197250.db2.gz DESRJTQJNBDUDA-GOSISDBHSA-N 2 0 380.533 0.596 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000420181105 1194197283 /nfs/dbraw/zinc/19/72/83/1194197283.db2.gz DESRJTQJNBDUDA-SFHVURJKSA-N 2 0 380.533 0.596 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589394 1194197597 /nfs/dbraw/zinc/19/75/97/1194197597.db2.gz PAGHOKQTXNDBQU-HKUYNNGSSA-N 2 0 394.560 0.936 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420184718 1194198200 /nfs/dbraw/zinc/19/82/00/1194198200.db2.gz BAQYTMTTZRHGLT-ROUUACIJSA-N 2 0 382.549 0.827 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CCO1 ZINC000420164445 1194198971 /nfs/dbraw/zinc/19/89/71/1194198971.db2.gz LYPVRBYDMBLUEP-RDJZCZTQSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@H](C)O1 ZINC000420173630 1194201255 /nfs/dbraw/zinc/20/12/55/1194201255.db2.gz VQGWWHIYKWVPTJ-SFNKJDCFSA-N 2 0 394.560 0.981 20 0 GCADRP C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420199200 1194202566 /nfs/dbraw/zinc/20/25/66/1194202566.db2.gz DNAWZFUMCNWMCX-SJORKVTESA-N 2 0 388.512 0.732 20 0 GCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000420201916 1194203446 /nfs/dbraw/zinc/20/34/46/1194203446.db2.gz NOTRQAWIXJGZFX-MSOLQXFVSA-N 2 0 380.533 0.581 20 0 GCADRP C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420205083 1194204657 /nfs/dbraw/zinc/20/46/57/1194204657.db2.gz NHDVWRYCPGVMHF-SJLPKXTDSA-N 2 0 388.512 0.325 20 0 GCADRP CCN(CCCO)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420205762 1194204751 /nfs/dbraw/zinc/20/47/51/1194204751.db2.gz OCSBXAAGXUFMSA-UHFFFAOYSA-N 2 0 376.501 0.327 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000420205690 1194204856 /nfs/dbraw/zinc/20/48/56/1194204856.db2.gz NXOXRJADEXNUTC-KRWDZBQOSA-N 2 0 388.512 0.734 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420187123 1194206009 /nfs/dbraw/zinc/20/60/09/1194206009.db2.gz LTYYCIMZZKGRFW-QGZVFWFLSA-N 2 0 396.919 0.725 20 0 GCADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000420187775 1194206771 /nfs/dbraw/zinc/20/67/71/1194206771.db2.gz BXYSYRYXAGWCJH-QXAKKESOSA-N 2 0 390.528 0.973 20 0 GCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420190828 1194207300 /nfs/dbraw/zinc/20/73/00/1194207300.db2.gz PPACWTJXHQZFTO-MRXNPFEDSA-N 2 0 396.557 0.913 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501595716 1194207877 /nfs/dbraw/zinc/20/78/77/1194207877.db2.gz HEICCQYDWMHLRO-LPHOPBHVSA-N 2 0 392.544 0.737 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420223062 1194210004 /nfs/dbraw/zinc/21/00/04/1194210004.db2.gz UCWHDTRHRKGQHM-MRXNPFEDSA-N 2 0 380.464 0.211 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000420210178 1194212497 /nfs/dbraw/zinc/21/24/97/1194212497.db2.gz UKKWKCCDFYCSBM-SFHVURJKSA-N 2 0 388.512 0.470 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501617840 1194214695 /nfs/dbraw/zinc/21/46/95/1194214695.db2.gz YZKTVZNOKOKJFU-QGZVFWFLSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420219662 1194215052 /nfs/dbraw/zinc/21/50/52/1194215052.db2.gz YWATTYGCXJZTPJ-XDNAFOTISA-N 2 0 379.549 0.247 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420219667 1194215154 /nfs/dbraw/zinc/21/51/54/1194215154.db2.gz YWATTYGCXJZTPJ-XWTMOSNGSA-N 2 0 379.549 0.247 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000420219315 1194215181 /nfs/dbraw/zinc/21/51/81/1194215181.db2.gz XGAXOYAPDUFSQA-HRCADAONSA-N 2 0 387.484 0.243 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420219660 1194215212 /nfs/dbraw/zinc/21/52/12/1194215212.db2.gz YWATTYGCXJZTPJ-MHORFTMASA-N 2 0 379.549 0.247 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501635187 1194216241 /nfs/dbraw/zinc/21/62/41/1194216241.db2.gz FXVKYJPXPSMEOS-WMZOPIPTSA-N 2 0 380.533 0.546 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501636260 1194217146 /nfs/dbraw/zinc/21/71/46/1194217146.db2.gz HTYGJOMLYQZUHV-SFHVURJKSA-N 2 0 394.560 0.672 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000501648651 1194219334 /nfs/dbraw/zinc/21/93/34/1194219334.db2.gz YQJGKCDMNHAXSM-IEBWSBKVSA-N 2 0 392.544 0.690 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000420456579 1194231211 /nfs/dbraw/zinc/23/12/11/1194231211.db2.gz NIZDVDRKAMAZJV-UHFFFAOYSA-N 2 0 382.486 0.002 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000501827336 1194232514 /nfs/dbraw/zinc/23/25/14/1194232514.db2.gz KPHWRQWMBIZOOF-UWVAXJGDSA-N 2 0 390.528 0.850 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(C(=O)C2CC2)C1 ZINC000420780902 1194262568 /nfs/dbraw/zinc/26/25/68/1194262568.db2.gz QVEBXYSPSACCFN-UHFFFAOYSA-N 2 0 386.500 0.815 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000421125055 1194296763 /nfs/dbraw/zinc/29/67/63/1194296763.db2.gz GONHZRRHRPTCNV-IXDOHACOSA-N 2 0 382.549 0.839 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000421292095 1194323431 /nfs/dbraw/zinc/32/34/31/1194323431.db2.gz AAHWEYCZXUCTEP-LJQANCHMSA-N 2 0 387.528 0.925 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652726622 1194348257 /nfs/dbraw/zinc/34/82/57/1194348257.db2.gz DWNKDLQZRNROEB-KSZLIROESA-N 2 0 382.549 0.778 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652726981 1194351585 /nfs/dbraw/zinc/35/15/85/1194351585.db2.gz XODAKTCLSDTQNC-FJIDUMEYSA-N 2 0 380.533 0.674 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]2[NH3+])cn1 ZINC000333604904 1194355133 /nfs/dbraw/zinc/35/51/33/1194355133.db2.gz QZZUMANQDUPUFQ-DLBZAZTESA-N 2 0 376.505 0.501 20 0 GCADRP CC(C)[C@@H](C(=O)NCC1(O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)[NH+](C)C ZINC000421893508 1194371034 /nfs/dbraw/zinc/37/10/34/1194371034.db2.gz UMTOISMOFRMOSF-IRXDYDNUSA-N 2 0 384.565 0.629 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000422123201 1194396657 /nfs/dbraw/zinc/39/66/57/1194396657.db2.gz XPCWBQDPQMZLOP-LJQANCHMSA-N 2 0 393.576 0.558 20 0 GCADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000503183723 1194403587 /nfs/dbraw/zinc/40/35/87/1194403587.db2.gz UXVRUPNYNJJXRD-CVEARBPZSA-N 2 0 390.532 0.924 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)c2)CC1 ZINC000272391251 1194456017 /nfs/dbraw/zinc/45/60/17/1194456017.db2.gz XYSDCIXBZLDIGN-QUCCMNQESA-N 2 0 399.539 0.925 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000273071787 1194536645 /nfs/dbraw/zinc/53/66/45/1194536645.db2.gz ZYVXUNCVLBQDKC-SFHVURJKSA-N 2 0 376.501 0.509 20 0 GCADRP CCn1ccc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000422284209 1194602558 /nfs/dbraw/zinc/60/25/58/1194602558.db2.gz IJGLKAMTNOLNGU-UHFFFAOYSA-N 2 0 399.499 0.243 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000422302903 1194610072 /nfs/dbraw/zinc/61/00/72/1194610072.db2.gz HAKXPDGNXYVLHG-GOSISDBHSA-N 2 0 390.528 0.838 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000422491341 1194651111 /nfs/dbraw/zinc/65/11/11/1194651111.db2.gz NPTNXNBPJRLESU-ROUUACIJSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCN1C1CC[NH+](C)CC1 ZINC000422624149 1194677522 /nfs/dbraw/zinc/67/75/22/1194677522.db2.gz BBCSBWFNRHTSBG-WWDZGPRUSA-N 2 0 393.576 0.602 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@@H](C)O1 ZINC000414677337 1194678235 /nfs/dbraw/zinc/67/82/35/1194678235.db2.gz IYUFYMLQRQCLMU-HUUCEWRRSA-N 2 0 390.484 0.723 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422628470 1194678304 /nfs/dbraw/zinc/67/83/04/1194678304.db2.gz UMMHVPAJRBNVNK-DAWZGUTISA-N 2 0 382.549 0.935 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCOCC1 ZINC000414675759 1194679301 /nfs/dbraw/zinc/67/93/01/1194679301.db2.gz GOUXMALOWOUOQV-KRWDZBQOSA-N 2 0 378.473 0.436 20 0 GCADRP CCCNC(=O)CN1CCC([NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422850491 1194703036 /nfs/dbraw/zinc/70/30/36/1194703036.db2.gz VWIXQAMNVXGLAT-MRXNPFEDSA-N 2 0 382.549 0.888 20 0 GCADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000414698275 1194703103 /nfs/dbraw/zinc/70/31/03/1194703103.db2.gz HUYYYMINDRWUSY-LJQANCHMSA-N 2 0 382.464 0.619 20 0 GCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422892874 1194707970 /nfs/dbraw/zinc/70/79/70/1194707970.db2.gz ZNXAONHSSBPMNA-GUDVDZBRSA-N 2 0 388.512 0.767 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCN(C(=O)C3CCC3)CC2)CC[NH2+]CC1 ZINC000422953596 1194712481 /nfs/dbraw/zinc/71/24/81/1194712481.db2.gz FTWQMJLGAQTNGA-QGZVFWFLSA-N 2 0 394.560 0.842 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)CC[NH2+]CC1 ZINC000422993372 1194713725 /nfs/dbraw/zinc/71/37/25/1194713725.db2.gz SPZBZSLIYLRWKR-LSDHHAIUSA-N 2 0 377.489 0.745 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000422975342 1194714686 /nfs/dbraw/zinc/71/46/86/1194714686.db2.gz SOCYCDZOYQBFRP-YTQUADARSA-N 2 0 388.512 0.810 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423088000 1194726222 /nfs/dbraw/zinc/72/62/22/1194726222.db2.gz QUMQBCBVRCCBQN-IBGZPJMESA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423092964 1194726957 /nfs/dbraw/zinc/72/69/57/1194726957.db2.gz FBMUTLAHUDKNTO-INIZCTEOSA-N 2 0 380.464 0.292 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423120167 1194728352 /nfs/dbraw/zinc/72/83/52/1194728352.db2.gz FTXPDWFMQQOIGT-FHLIZLRMSA-N 2 0 376.476 0.879 20 0 GCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423125420 1194729261 /nfs/dbraw/zinc/72/92/61/1194729261.db2.gz IBWYLUQTLHPGOX-GOSISDBHSA-N 2 0 381.565 0.319 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000423159495 1194733894 /nfs/dbraw/zinc/73/38/94/1194733894.db2.gz YCICAXGBOMGTLE-QRVBRYPASA-N 2 0 392.544 0.818 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423169129 1194735073 /nfs/dbraw/zinc/73/50/73/1194735073.db2.gz VNRVRXBOAAEXFJ-SJORKVTESA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423208536 1194736388 /nfs/dbraw/zinc/73/63/88/1194736388.db2.gz YYIBUEGOJSMIFU-GOSISDBHSA-N 2 0 376.501 0.196 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423201921 1194738870 /nfs/dbraw/zinc/73/88/70/1194738870.db2.gz JPXZRQLXAODYFF-HOCLYGCPSA-N 2 0 394.466 0.923 20 0 GCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423204611 1194739205 /nfs/dbraw/zinc/73/92/05/1194739205.db2.gz NZMPUMWRWVWFLO-LJQANCHMSA-N 2 0 390.528 0.933 20 0 GCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423203791 1194739338 /nfs/dbraw/zinc/73/93/38/1194739338.db2.gz NMPSLEDLQLIFJF-SFHVURJKSA-N 2 0 376.501 0.543 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423206543 1194739827 /nfs/dbraw/zinc/73/98/27/1194739827.db2.gz GBRBJWXFGAHDFY-QZTJIDSGSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423214069 1194740352 /nfs/dbraw/zinc/74/03/52/1194740352.db2.gz OJNJXVSWAHAQLK-FUHIMQAGSA-N 2 0 379.549 0.201 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423217431 1194740722 /nfs/dbraw/zinc/74/07/22/1194740722.db2.gz UDVPMJUZYGSCQL-IRXDYDNUSA-N 2 0 381.565 0.447 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000423217267 1194740852 /nfs/dbraw/zinc/74/08/52/1194740852.db2.gz PUESDTAFIIVPFZ-AEFFLSMTSA-N 2 0 380.533 0.391 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423219186 1194741202 /nfs/dbraw/zinc/74/12/02/1194741202.db2.gz WKXKENYDPOJZDP-GBESFXJTSA-N 2 0 395.592 0.835 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)CC2)c1 ZINC000423257748 1194744332 /nfs/dbraw/zinc/74/43/32/1194744332.db2.gz KVXODUMMGDMUGA-CQSZACIVSA-N 2 0 375.473 0.325 20 0 GCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC2)CC1 ZINC000423302447 1194748155 /nfs/dbraw/zinc/74/81/55/1194748155.db2.gz JMOMZUHKMZKFDK-ACBHZAAOSA-N 2 0 391.560 0.215 20 0 GCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423368374 1194751531 /nfs/dbraw/zinc/75/15/31/1194751531.db2.gz NDXNLWHEIZNMKL-MRXNPFEDSA-N 2 0 393.557 0.144 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423392833 1194753284 /nfs/dbraw/zinc/75/32/84/1194753284.db2.gz QSQPZJLUEMYANF-ONIAQPFYSA-N 2 0 378.517 0.284 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423443979 1194755801 /nfs/dbraw/zinc/75/58/01/1194755801.db2.gz LELFZPVKNDPGCH-RBUKOAKNSA-N 2 0 394.560 0.794 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000423443935 1194755835 /nfs/dbraw/zinc/75/58/35/1194755835.db2.gz LBCAXACYVFZTOJ-BSDSXHPESA-N 2 0 380.533 0.532 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423447437 1194755869 /nfs/dbraw/zinc/75/58/69/1194755869.db2.gz PALSZTSAUYBXKM-GOSISDBHSA-N 2 0 380.533 0.548 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000423443938 1194755901 /nfs/dbraw/zinc/75/59/01/1194755901.db2.gz LBCAXACYVFZTOJ-MLHJIOFPSA-N 2 0 380.533 0.532 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423450112 1194756199 /nfs/dbraw/zinc/75/61/99/1194756199.db2.gz SJFNYZOGABQMJI-WMZOPIPTSA-N 2 0 382.549 0.779 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423430971 1194756779 /nfs/dbraw/zinc/75/67/79/1194756779.db2.gz ADYYFDBUNDGPNU-IBGZPJMESA-N 2 0 394.560 0.936 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)C1 ZINC000423430959 1194756854 /nfs/dbraw/zinc/75/68/54/1194756854.db2.gz ACLFXYZPSUJHLI-GOSISDBHSA-N 2 0 382.549 0.794 20 0 GCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423434640 1194757193 /nfs/dbraw/zinc/75/71/93/1194757193.db2.gz DDBNVTPPFZPEAA-LJQANCHMSA-N 2 0 394.560 0.925 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423438583 1194757237 /nfs/dbraw/zinc/75/72/37/1194757237.db2.gz GZTSAUFBYRYCIF-UHFFFAOYSA-N 2 0 382.549 0.781 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000423441784 1194757553 /nfs/dbraw/zinc/75/75/53/1194757553.db2.gz JJZIRRGXVHXCTG-CEXWTWQISA-N 2 0 394.560 0.794 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000423467326 1194758664 /nfs/dbraw/zinc/75/86/64/1194758664.db2.gz AONHGJYOMONEIN-UHFFFAOYSA-N 2 0 376.501 0.783 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000423475200 1194759028 /nfs/dbraw/zinc/75/90/28/1194759028.db2.gz IPQKHOHZZOGGII-IYBDPMFKSA-N 2 0 376.501 0.794 20 0 GCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423478631 1194759068 /nfs/dbraw/zinc/75/90/68/1194759068.db2.gz UFACKHKYIWEFMP-OKILXGFUSA-N 2 0 378.439 0.787 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423453609 1194759241 /nfs/dbraw/zinc/75/92/41/1194759241.db2.gz AYKTUAKKLARADB-HKUYNNGSSA-N 2 0 388.512 0.686 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000423481319 1194759294 /nfs/dbraw/zinc/75/92/94/1194759294.db2.gz QHGAOSKZZVMPLZ-NRFANRHFSA-N 2 0 388.512 0.797 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000423481323 1194759343 /nfs/dbraw/zinc/75/93/43/1194759343.db2.gz QHGAOSKZZVMPLZ-OAQYLSRUSA-N 2 0 388.512 0.797 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423503143 1194759861 /nfs/dbraw/zinc/75/98/61/1194759861.db2.gz MPZZXVZCBDBFCP-XYJFISCASA-N 2 0 380.533 0.545 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000423485616 1194760304 /nfs/dbraw/zinc/76/03/04/1194760304.db2.gz VJEJEYHNBPGBFR-ROUUACIJSA-N 2 0 388.512 0.653 20 0 GCADRP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530536 1194761324 /nfs/dbraw/zinc/76/13/24/1194761324.db2.gz PPGBOLQLGSYKTK-MSOLQXFVSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529113 1194761385 /nfs/dbraw/zinc/76/13/85/1194761385.db2.gz NXHHKHLZCJFOQD-BHIYHBOVSA-N 2 0 393.576 0.602 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423530891 1194761460 /nfs/dbraw/zinc/76/14/60/1194761460.db2.gz XOXFSSMGSNOIJE-IAGOWNOFSA-N 2 0 382.549 0.779 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529117 1194761492 /nfs/dbraw/zinc/76/14/92/1194761492.db2.gz NXHHKHLZCJFOQD-QXAKKESOSA-N 2 0 393.576 0.602 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423523419 1194763126 /nfs/dbraw/zinc/76/31/26/1194763126.db2.gz NIGVAJVHXVGCGH-SJORKVTESA-N 2 0 382.549 0.922 20 0 GCADRP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423527672 1194763480 /nfs/dbraw/zinc/76/34/80/1194763480.db2.gz MKODOAQPTODQIE-QXAKKESOSA-N 2 0 393.576 0.732 20 0 GCADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423537314 1194764787 /nfs/dbraw/zinc/76/47/87/1194764787.db2.gz JTRJWVGGJRSVRM-OAHLLOKOSA-N 2 0 380.533 0.281 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C[C@@H]21 ZINC000423590684 1194766984 /nfs/dbraw/zinc/76/69/84/1194766984.db2.gz GHFJDEFCIHRCEI-XLAORIBOSA-N 2 0 378.517 0.143 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423603385 1194772023 /nfs/dbraw/zinc/77/20/23/1194772023.db2.gz FDUCTQRJDLAHFN-UXHICEINSA-N 2 0 399.539 0.225 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423603380 1194772099 /nfs/dbraw/zinc/77/20/99/1194772099.db2.gz FDUCTQRJDLAHFN-PMACEKPBSA-N 2 0 399.539 0.225 20 0 GCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423606954 1194772482 /nfs/dbraw/zinc/77/24/82/1194772482.db2.gz ISOHKMCQZYMYDH-FQEVSTJZSA-N 2 0 399.539 0.227 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423594520 1194774879 /nfs/dbraw/zinc/77/48/79/1194774879.db2.gz ODWIPGDPLDOGGT-GOSISDBHSA-N 2 0 380.533 0.548 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H]1Cc1ccccc1 ZINC000423634826 1194776307 /nfs/dbraw/zinc/77/63/07/1194776307.db2.gz NTODWPKQDDVHPC-LJQANCHMSA-N 2 0 384.524 0.974 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423623322 1194777980 /nfs/dbraw/zinc/77/79/80/1194777980.db2.gz OEKGCWAYUFRSPN-NQIIRXRSSA-N 2 0 388.512 0.422 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423623109 1194778130 /nfs/dbraw/zinc/77/81/30/1194778130.db2.gz NRPBKWOHSWTMAP-KURKYZTESA-N 2 0 379.549 0.343 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423657105 1194780046 /nfs/dbraw/zinc/78/00/46/1194780046.db2.gz VJLVKUPRIYLOBF-SJORKVTESA-N 2 0 382.549 0.792 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)[C@@H](C[NH3+])C1 ZINC000423661317 1194781080 /nfs/dbraw/zinc/78/10/80/1194781080.db2.gz DFEWMDZFMOIMQD-OPQOLIRYSA-N 2 0 380.533 0.674 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660701 1194781100 /nfs/dbraw/zinc/78/11/00/1194781100.db2.gz KSHHCWACXZDUMA-LNLFQRSKSA-N 2 0 394.560 0.935 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423668601 1194782081 /nfs/dbraw/zinc/78/20/81/1194782081.db2.gz KGPURIKNDULJGV-QZTJIDSGSA-N 2 0 382.549 0.922 20 0 GCADRP O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423693284 1194783268 /nfs/dbraw/zinc/78/32/68/1194783268.db2.gz RVAVUAXKDSDFCM-HAGHYFMRSA-N 2 0 382.508 0.645 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423673117 1194784073 /nfs/dbraw/zinc/78/40/73/1194784073.db2.gz FSNFWERKGVLUQM-GOSISDBHSA-N 2 0 387.528 0.083 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423673888 1194784266 /nfs/dbraw/zinc/78/42/66/1194784266.db2.gz GYEULXHBYNPPMQ-VJANTYMQSA-N 2 0 393.576 0.732 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423683283 1194785787 /nfs/dbraw/zinc/78/57/87/1194785787.db2.gz HEWPFVXPSAIJKK-BQFCYCMXSA-N 2 0 379.549 0.342 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423685840 1194786010 /nfs/dbraw/zinc/78/60/10/1194786010.db2.gz VJJJRAQQBIQHON-SJORKVTESA-N 2 0 395.548 0.165 20 0 GCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000423690344 1194786785 /nfs/dbraw/zinc/78/67/85/1194786785.db2.gz OABBJAZYDUNRDM-UHFFFAOYSA-N 2 0 388.512 0.545 20 0 GCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423706328 1194787166 /nfs/dbraw/zinc/78/71/66/1194787166.db2.gz AZTWCAOJXDPQET-FUHWJXTLSA-N 2 0 376.476 0.879 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000423716709 1194788093 /nfs/dbraw/zinc/78/80/93/1194788093.db2.gz IWFNLFJISAYOBA-KZNAEPCWSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)[C@@H]1C[NH3+] ZINC000423718727 1194788471 /nfs/dbraw/zinc/78/84/71/1194788471.db2.gz BZXJFGVXWZBCJP-JFIYKMOQSA-N 2 0 379.549 0.199 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423719058 1194788542 /nfs/dbraw/zinc/78/85/42/1194788542.db2.gz BRVBNVXGOAHYPD-RTBURBONSA-N 2 0 395.592 0.709 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423727448 1194789954 /nfs/dbraw/zinc/78/99/54/1194789954.db2.gz IZKFPBYALGMAFA-WMZOPIPTSA-N 2 0 382.549 0.922 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423744677 1194791062 /nfs/dbraw/zinc/79/10/62/1194791062.db2.gz MXBZHRRHYWZEME-ZIFCJYIRSA-N 2 0 394.560 0.935 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423749620 1194791814 /nfs/dbraw/zinc/79/18/14/1194791814.db2.gz SYCWSZUPSAEHTP-GBESFXJTSA-N 2 0 393.576 0.604 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000423735581 1194792659 /nfs/dbraw/zinc/79/26/59/1194792659.db2.gz DWMYPPLYBGVISS-GOSISDBHSA-N 2 0 379.549 0.073 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000423738921 1194792874 /nfs/dbraw/zinc/79/28/74/1194792874.db2.gz QTENAHNVFBACDR-DODZYUBVSA-N 2 0 394.560 0.920 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414768567 1194796592 /nfs/dbraw/zinc/79/65/92/1194796592.db2.gz IMRUAGQTTUICMM-KRWDZBQOSA-N 2 0 378.473 0.532 20 0 GCADRP CCCCS(=O)(=O)NCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424024664 1194799517 /nfs/dbraw/zinc/79/95/17/1194799517.db2.gz XKXPAIVWWHATDK-UHFFFAOYSA-N 2 0 396.557 0.816 20 0 GCADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1C[NH+](C)C ZINC000424445169 1194812062 /nfs/dbraw/zinc/81/20/62/1194812062.db2.gz FGWHBSZEOXONRZ-ZWKOTPCHSA-N 2 0 384.484 0.682 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000424453224 1194815226 /nfs/dbraw/zinc/81/52/26/1194815226.db2.gz JVZUKUYHKZOZCS-QGZVFWFLSA-N 2 0 389.500 0.451 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)CC[NH2+]CC2 ZINC000424496639 1194818021 /nfs/dbraw/zinc/81/80/21/1194818021.db2.gz UTQWXLQSABHAIP-QZTJIDSGSA-N 2 0 392.544 0.548 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534203 1194819710 /nfs/dbraw/zinc/81/97/10/1194819710.db2.gz ZDNDTVFYGCAHEW-XYVMCAHJSA-N 2 0 390.532 0.157 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc(CC[NH+](C)C)cc3)C[C@H]2[NH3+])cn1 ZINC000424532482 1194819735 /nfs/dbraw/zinc/81/97/35/1194819735.db2.gz XQVHLKCSYORUQU-RBUKOAKNSA-N 2 0 398.511 0.094 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424539987 1194820289 /nfs/dbraw/zinc/82/02/89/1194820289.db2.gz FWMOJSHRRJYLGX-YESZJQIVSA-N 2 0 376.505 0.006 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424525732 1194822074 /nfs/dbraw/zinc/82/20/74/1194822074.db2.gz RCQZYXHIPDAFQA-RYQLBKOJSA-N 2 0 390.532 0.444 20 0 GCADRP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NCCCN1CCCC1=O ZINC000513822182 1194837864 /nfs/dbraw/zinc/83/78/64/1194837864.db2.gz XTBZDQHDJVRBSW-UHFFFAOYSA-N 2 0 380.533 0.549 20 0 GCADRP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414864489 1194883794 /nfs/dbraw/zinc/88/37/94/1194883794.db2.gz CTMCSTAWALXHBS-QFIPXVFZSA-N 2 0 394.475 0.982 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000514667697 1194893023 /nfs/dbraw/zinc/89/30/23/1194893023.db2.gz NURZDLQRUNQGLZ-IRXDYDNUSA-N 2 0 380.533 0.546 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000664473473 1194896034 /nfs/dbraw/zinc/89/60/34/1194896034.db2.gz RNZSJLZSNDBGJO-IRXDYDNUSA-N 2 0 383.537 0.026 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664475066 1194898095 /nfs/dbraw/zinc/89/80/95/1194898095.db2.gz LTCPDNXHFQRXAE-AQNXPRMDSA-N 2 0 394.560 0.995 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@H]3CC[N@H+](CCOC)C3)CC2)CC1 ZINC000514787641 1194908900 /nfs/dbraw/zinc/90/89/00/1194908900.db2.gz UABRJHVHAYBZCK-SFHVURJKSA-N 2 0 381.565 0.909 20 0 GCADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000638097326 1194925847 /nfs/dbraw/zinc/92/58/47/1194925847.db2.gz UELIHVBPQVYNSC-QXAKKESOSA-N 2 0 390.528 0.978 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435378772 1194925908 /nfs/dbraw/zinc/92/59/08/1194925908.db2.gz GIRGNZDUXCWIRC-SFHVURJKSA-N 2 0 388.512 0.975 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C[C@H]21 ZINC000515053394 1194942043 /nfs/dbraw/zinc/94/20/43/1194942043.db2.gz XKLBJASCJRCFMD-KZNAEPCWSA-N 2 0 378.517 0.143 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425398514 1194951564 /nfs/dbraw/zinc/95/15/64/1194951564.db2.gz IEOXDAULYDRMLP-RCCFBDPRSA-N 2 0 380.533 0.498 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425404675 1194956173 /nfs/dbraw/zinc/95/61/73/1194956173.db2.gz PUBYROYMPVTLHC-SJORKVTESA-N 2 0 380.533 0.641 20 0 GCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414873827 1194965320 /nfs/dbraw/zinc/96/53/20/1194965320.db2.gz HDCMPNOWUGVYDB-MRXNPFEDSA-N 2 0 389.500 0.120 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000515500871 1194978602 /nfs/dbraw/zinc/97/86/02/1194978602.db2.gz QNPLRKVHCIBJEA-DOTOQJQBSA-N 2 0 391.520 0.137 20 0 GCADRP COCC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000515500440 1194978694 /nfs/dbraw/zinc/97/86/94/1194978694.db2.gz VUFNUINTTDIXQD-XLIONFOSSA-N 2 0 390.484 0.122 20 0 GCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000436047204 1194982046 /nfs/dbraw/zinc/98/20/46/1194982046.db2.gz CLQMYEKKZYXUGD-LLVKDONJSA-N 2 0 381.399 0.084 20 0 GCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000436047214 1194982102 /nfs/dbraw/zinc/98/21/02/1194982102.db2.gz CLQMYEKKZYXUGD-NSHDSACASA-N 2 0 381.399 0.084 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414879002 1194986861 /nfs/dbraw/zinc/98/68/61/1194986861.db2.gz OGPCSGFXAAGMHU-UHFFFAOYSA-N 2 0 376.379 0.797 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000652732340 1194987536 /nfs/dbraw/zinc/98/75/36/1194987536.db2.gz JEHNWCLMHNSYNW-ZWKOTPCHSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000286464206 1195003676 /nfs/dbraw/zinc/00/36/76/1195003676.db2.gz KCIQLEIHQMYVSW-MAUKXSAKSA-N 2 0 376.501 0.326 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000664576293 1195024473 /nfs/dbraw/zinc/02/44/73/1195024473.db2.gz FUXXZTKDQNKCGZ-UHFFFAOYSA-N 2 0 390.532 0.959 20 0 GCADRP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000516760739 1195094133 /nfs/dbraw/zinc/09/41/33/1195094133.db2.gz IHCHTYZCAJPYJX-CQSZACIVSA-N 2 0 391.516 0.432 20 0 GCADRP CC(C)[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000516761632 1195094482 /nfs/dbraw/zinc/09/44/82/1195094482.db2.gz KNSPZZRIOOQEHK-KSZLIROESA-N 2 0 377.537 0.128 20 0 GCADRP CC[NH+](CC(=O)N1CCN(C)[C@@H](CNC(=O)C[N@@H+](CC)C2CC2)C1)C1CC1 ZINC000516777855 1195097391 /nfs/dbraw/zinc/09/73/91/1195097391.db2.gz SVPOGBSSCTWTPU-SFHVURJKSA-N 2 0 379.549 0.214 20 0 GCADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000517025319 1195125944 /nfs/dbraw/zinc/12/59/44/1195125944.db2.gz NMWAHXXHHSIVFJ-KRWDZBQOSA-N 2 0 388.512 0.651 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC000517058236 1195130646 /nfs/dbraw/zinc/13/06/46/1195130646.db2.gz FZELJKSZRKEJKK-BRWVUGGUSA-N 2 0 382.549 0.839 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425886503 1195152985 /nfs/dbraw/zinc/15/29/85/1195152985.db2.gz MPJJIVCTZVUTSL-XUVXKRRUSA-N 2 0 399.539 0.081 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000517202818 1195154619 /nfs/dbraw/zinc/15/46/19/1195154619.db2.gz ZTHBVIOVOCFTGU-UHFFFAOYSA-N 2 0 377.489 0.972 20 0 GCADRP O=C(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000517229890 1195159631 /nfs/dbraw/zinc/15/96/31/1195159631.db2.gz FYCLQXHLGRZDDM-JQVVWYNYSA-N 2 0 382.508 0.789 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000517259598 1195166014 /nfs/dbraw/zinc/16/60/14/1195166014.db2.gz GVDMBEVJGVBMDB-SFHVURJKSA-N 2 0 394.560 0.936 20 0 GCADRP Cc1nccn1CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000517536737 1195189067 /nfs/dbraw/zinc/18/90/67/1195189067.db2.gz OMZXTROUWMYFCD-QGZVFWFLSA-N 2 0 379.505 0.513 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000517566063 1195194008 /nfs/dbraw/zinc/19/40/08/1195194008.db2.gz KQVRKXYYSPNUHV-UHFFFAOYSA-N 2 0 388.516 0.856 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000517595974 1195194993 /nfs/dbraw/zinc/19/49/93/1195194993.db2.gz IMYUXYREHYXELH-MSOLQXFVSA-N 2 0 381.565 0.224 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000517595976 1195195073 /nfs/dbraw/zinc/19/50/73/1195195073.db2.gz IMYUXYREHYXELH-ROUUACIJSA-N 2 0 381.565 0.224 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000550002381 1195220620 /nfs/dbraw/zinc/22/06/20/1195220620.db2.gz SNUONSMMUPUGDL-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)n1 ZINC000438705054 1195240083 /nfs/dbraw/zinc/24/00/83/1195240083.db2.gz KQRAZTCTGPRRSW-INIZCTEOSA-N 2 0 390.488 1.390 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000518200244 1195266591 /nfs/dbraw/zinc/26/65/91/1195266591.db2.gz JHZQZHMCGYYSJX-ZWKOTPCHSA-N 2 0 392.544 0.690 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506437822 1195268889 /nfs/dbraw/zinc/26/88/89/1195268889.db2.gz KEKLQZCAQYPZBM-UHFFFAOYSA-N 2 0 390.528 0.238 20 0 GCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000518261495 1195273091 /nfs/dbraw/zinc/27/30/91/1195273091.db2.gz MMRKMLVQZZIDFW-GBESFXJTSA-N 2 0 395.592 0.850 20 0 GCADRP CN(CCO)S(=O)(=O)c1ccccc1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638601773 1195298058 /nfs/dbraw/zinc/29/80/58/1195298058.db2.gz GYZNXEIHVZWPJH-UHFFFAOYSA-N 2 0 399.557 0.624 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1O ZINC000664750028 1195316290 /nfs/dbraw/zinc/31/62/90/1195316290.db2.gz QARJFRZQJBLMAR-QYZOEREBSA-N 2 0 376.501 0.594 20 0 GCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000439393625 1195317243 /nfs/dbraw/zinc/31/72/43/1195317243.db2.gz GEDZRSFJVDJFPY-HNNXBMFYSA-N 2 0 389.500 0.903 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000518804797 1195332982 /nfs/dbraw/zinc/33/29/82/1195332982.db2.gz LXFWRTADAMWCSE-CALCHBBNSA-N 2 0 397.564 0.728 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000518804802 1195333132 /nfs/dbraw/zinc/33/31/32/1195333132.db2.gz LXFWRTADAMWCSE-IRXDYDNUSA-N 2 0 397.564 0.728 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426562316 1195381642 /nfs/dbraw/zinc/38/16/42/1195381642.db2.gz RJZVXBNWNKPDTL-MSOLQXFVSA-N 2 0 382.549 0.899 20 0 GCADRP O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415012015 1195415983 /nfs/dbraw/zinc/41/59/83/1195415983.db2.gz RTWZHKOOOLBSLC-UXHICEINSA-N 2 0 394.475 0.980 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000550042473 1195423132 /nfs/dbraw/zinc/42/31/32/1195423132.db2.gz SPOIYIRKBIIZTC-UHFFFAOYSA-N 2 0 379.549 0.073 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1(C)C ZINC000664815651 1195428186 /nfs/dbraw/zinc/42/81/86/1195428186.db2.gz RTHAUKNYSMQIEC-GOSISDBHSA-N 2 0 381.565 0.909 20 0 GCADRP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000550098554 1195434587 /nfs/dbraw/zinc/43/45/87/1195434587.db2.gz WFVCTCSWIJSFGT-RTBURBONSA-N 2 0 396.576 0.944 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550110000 1195437044 /nfs/dbraw/zinc/43/70/44/1195437044.db2.gz UBEMJFUXIQLONX-UHFFFAOYSA-N 3 0 383.581 0.709 20 0 GCADRP Cc1nc2ccccc2n1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000550124799 1195443818 /nfs/dbraw/zinc/44/38/18/1195443818.db2.gz QANGCYWKFDAKQS-UHFFFAOYSA-N 2 0 388.516 0.413 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1(C)C ZINC000550267460 1195472766 /nfs/dbraw/zinc/47/27/66/1195472766.db2.gz ZVPXPFDZMSIUSG-UHFFFAOYSA-N 2 0 381.565 0.554 20 0 GCADRP COC(=O)C1CCN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000507007392 1195484745 /nfs/dbraw/zinc/48/47/45/1195484745.db2.gz NKFXUILYUTYOER-UHFFFAOYSA-N 2 0 392.566 0.322 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)CC1=O ZINC000426885962 1195489204 /nfs/dbraw/zinc/48/92/04/1195489204.db2.gz HHSZGPAVBHDVEP-WBVHZDCISA-N 2 0 392.500 0.337 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)n2)CC1 ZINC000426915531 1195492139 /nfs/dbraw/zinc/49/21/39/1195492139.db2.gz WTLYTDNZMYULGJ-OAHLLOKOSA-N 2 0 388.516 1.221 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000507155079 1195500487 /nfs/dbraw/zinc/50/04/87/1195500487.db2.gz PZJUYZNYYDOIIA-UHFFFAOYSA-N 2 0 386.456 0.823 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCSC1 ZINC000519593441 1195501457 /nfs/dbraw/zinc/50/14/57/1195501457.db2.gz WNPNJCFXTQJRKR-GJYPPUQNSA-N 2 0 397.589 0.714 20 0 GCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507388304 1195517022 /nfs/dbraw/zinc/51/70/22/1195517022.db2.gz WHHRLKUVZFPHNF-KRWDZBQOSA-N 2 0 396.532 0.320 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000519609632 1195532468 /nfs/dbraw/zinc/53/24/68/1195532468.db2.gz IOUXNRWEZSTRSO-FUHWJXTLSA-N 2 0 389.500 0.123 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)n2)CC1 ZINC000427524883 1195548703 /nfs/dbraw/zinc/54/87/03/1195548703.db2.gz MVEWPPLLIMYRSK-DOTOQJQBSA-N 2 0 388.516 1.031 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000519704563 1195564277 /nfs/dbraw/zinc/56/42/77/1195564277.db2.gz DXMRXOHGCRNAKT-SJORKVTESA-N 2 0 380.533 0.452 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C1CC1 ZINC000519731761 1195567393 /nfs/dbraw/zinc/56/73/93/1195567393.db2.gz XXSVZZAOGSRGSG-UHFFFAOYSA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000550320149 1195599975 /nfs/dbraw/zinc/59/99/75/1195599975.db2.gz UTDOYDJDQMQSNQ-KRWDZBQOSA-N 2 0 394.560 0.984 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000550319303 1195600233 /nfs/dbraw/zinc/60/02/33/1195600233.db2.gz DDKWGERHMMQJGA-UHFFFAOYSA-N 2 0 382.549 0.936 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000550348057 1195638149 /nfs/dbraw/zinc/63/81/49/1195638149.db2.gz IKXVSZRNALSEHK-UHFFFAOYSA-N 2 0 394.560 0.938 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000550364996 1195644238 /nfs/dbraw/zinc/64/42/38/1195644238.db2.gz PKODZJFZDAQSCP-KRWDZBQOSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000550363066 1195645750 /nfs/dbraw/zinc/64/57/50/1195645750.db2.gz XCKTYADBTNKFTR-INIZCTEOSA-N 2 0 380.533 0.687 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000550373178 1195645993 /nfs/dbraw/zinc/64/59/93/1195645993.db2.gz ZQZUEHUMJICYIE-OALUTQOASA-N 2 0 394.560 0.860 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)N1CC[NH+](C)CC1 ZINC000550380895 1195648478 /nfs/dbraw/zinc/64/84/78/1195648478.db2.gz CEWVOGDGTTWDOW-RBUKOAKNSA-N 2 0 395.592 0.613 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000550380960 1195648817 /nfs/dbraw/zinc/64/88/17/1195648817.db2.gz CWONWWUUNUCLHC-SFHVURJKSA-N 2 0 395.592 0.754 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976692 1195652556 /nfs/dbraw/zinc/65/25/56/1195652556.db2.gz SCGZUFIPUHNRIF-CABCVRRESA-N 2 0 380.514 0.984 20 0 GCADRP CNC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cn1C ZINC000330495801 1195691532 /nfs/dbraw/zinc/69/15/32/1195691532.db2.gz XELFDFFDVLYLIL-UHFFFAOYSA-N 2 0 385.534 0.031 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188945967 1195741300 /nfs/dbraw/zinc/74/13/00/1195741300.db2.gz NMBKWBQJPBIQHP-ZWKOTPCHSA-N 2 0 383.581 0.747 20 0 GCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986069 1195756650 /nfs/dbraw/zinc/75/66/50/1195756650.db2.gz AGRCEVJAFZYWOJ-AWEZNQCLSA-N 2 0 396.513 0.268 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000550416642 1195765185 /nfs/dbraw/zinc/76/51/85/1195765185.db2.gz LPODNJREAVOQCE-UHFFFAOYSA-N 2 0 380.533 0.690 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520514651 1195778116 /nfs/dbraw/zinc/77/81/16/1195778116.db2.gz SVHGWBQFKSJQQR-KURKYZTESA-N 2 0 380.533 0.546 20 0 GCADRP C[NH+]1CCC[C@H]2[C@H]1CCN2c1nc(C(N)=O)cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000895091909 1195803768 /nfs/dbraw/zinc/80/37/68/1195803768.db2.gz JYTZQSLJLINRFA-MLHJIOFPSA-N 2 0 399.543 0.921 20 0 GCADRP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000520642809 1195810654 /nfs/dbraw/zinc/81/06/54/1195810654.db2.gz XXZPALYGUUCCNK-QGZVFWFLSA-N 2 0 376.501 0.414 20 0 GCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)O2)CCC[NH+]1C ZINC000427898320 1195890857 /nfs/dbraw/zinc/89/08/57/1195890857.db2.gz AIFALPJLVKMJNA-BLONOQDTSA-N 2 0 380.533 0.732 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000442005663 1195941491 /nfs/dbraw/zinc/94/14/91/1195941491.db2.gz XWCYXYZSDORCKH-INIZCTEOSA-N 2 0 378.473 0.402 20 0 GCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000521104107 1195962562 /nfs/dbraw/zinc/96/25/62/1195962562.db2.gz KZLSLSMDDOHASQ-QZTJIDSGSA-N 2 0 382.549 0.671 20 0 GCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000521104106 1195962743 /nfs/dbraw/zinc/96/27/43/1195962743.db2.gz KZLSLSMDDOHASQ-MSOLQXFVSA-N 2 0 382.549 0.671 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000550457393 1195968013 /nfs/dbraw/zinc/96/80/13/1195968013.db2.gz QWKOVSQPNOGXHZ-ZSYWTGECSA-N 2 0 396.576 0.942 20 0 GCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NCC1CC[NH2+]CC1 ZINC000521217644 1195979314 /nfs/dbraw/zinc/97/93/14/1195979314.db2.gz LMAQKDDXCITSJX-UHFFFAOYSA-N 2 0 388.512 0.893 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000521300039 1195986133 /nfs/dbraw/zinc/98/61/33/1195986133.db2.gz QRBAYOXBSOJOTA-SFHVURJKSA-N 2 0 393.576 0.463 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000550458974 1195986385 /nfs/dbraw/zinc/98/63/85/1195986385.db2.gz UOGMGEKMASBELS-AEFFLSMTSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000521392873 1195994300 /nfs/dbraw/zinc/99/43/00/1195994300.db2.gz HXAJPSCCVDURAX-LMMKCTJWSA-N 2 0 392.544 0.641 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000521609684 1196006952 /nfs/dbraw/zinc/00/69/52/1196006952.db2.gz BHNXCNMNDUOYMC-QRVBRYPASA-N 2 0 392.544 0.818 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000469764981 1196022339 /nfs/dbraw/zinc/02/23/39/1196022339.db2.gz QRBPNUWZLHTLSW-DOTOQJQBSA-N 2 0 387.550 0.425 20 0 GCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000522002287 1196034867 /nfs/dbraw/zinc/03/48/67/1196034867.db2.gz RCRUHFRNMSDLOT-CABCVRRESA-N 2 0 376.501 0.502 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000522028212 1196037613 /nfs/dbraw/zinc/03/76/13/1196037613.db2.gz BWPDSPAGAUKUJZ-QZTJIDSGSA-N 2 0 382.549 0.719 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000550480381 1196052067 /nfs/dbraw/zinc/05/20/67/1196052067.db2.gz DMKOPHYKQQFMTL-GOSISDBHSA-N 2 0 393.576 0.319 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000550513267 1196070670 /nfs/dbraw/zinc/07/06/70/1196070670.db2.gz GGKDJESCXWSSNK-UHFFFAOYSA-N 2 0 395.592 0.709 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000550518766 1196073107 /nfs/dbraw/zinc/07/31/07/1196073107.db2.gz IQEYWLDINNVQBQ-AEFFLSMTSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000550550055 1196083261 /nfs/dbraw/zinc/08/32/61/1196083261.db2.gz BMJFCXUEOFOBPG-QGZVFWFLSA-N 2 0 379.549 0.262 20 0 GCADRP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000550562621 1196086506 /nfs/dbraw/zinc/08/65/06/1196086506.db2.gz AAAVSQFMJZVDAU-KRWDZBQOSA-N 2 0 392.544 0.690 20 0 GCADRP O=C(CN1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1)N1CCCC1 ZINC000895625587 1196104622 /nfs/dbraw/zinc/10/46/22/1196104622.db2.gz DAUWRHNYXPQMQV-UHFFFAOYSA-N 2 0 378.517 0.254 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896174287 1196131009 /nfs/dbraw/zinc/13/10/09/1196131009.db2.gz OFLUZANCUBEVGZ-GOSISDBHSA-N 2 0 388.516 0.216 20 0 GCADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC000896468180 1196149503 /nfs/dbraw/zinc/14/95/03/1196149503.db2.gz NMORBHSLQFJUKO-HBFSDRIKSA-N 2 0 379.549 0.376 20 0 GCADRP C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896532511 1196153896 /nfs/dbraw/zinc/15/38/96/1196153896.db2.gz LRBYLTZFIDFGFS-KSSFIOAISA-N 2 0 388.516 0.668 20 0 GCADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461502 1196187848 /nfs/dbraw/zinc/18/78/48/1196187848.db2.gz PAIMYLHQBNVFFA-IRXDYDNUSA-N 2 0 382.549 0.974 20 0 GCADRP O=C(CCCN1C(=O)CCC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522709880 1196303672 /nfs/dbraw/zinc/30/36/72/1196303672.db2.gz YJDUPUYSCRZOIW-UHFFFAOYSA-N 2 0 387.484 0.639 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281646180 1196317998 /nfs/dbraw/zinc/31/79/98/1196317998.db2.gz RKJKAWPQGUFMLG-INIZCTEOSA-N 2 0 382.530 0.822 20 0 GCADRP COCC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281721222 1196325391 /nfs/dbraw/zinc/32/53/91/1196325391.db2.gz UOGPOOGLKNNXCK-NVXWUHKLSA-N 2 0 387.546 0.965 20 0 GCADRP C[NH+]1C[C@H]2CN(c3cc(N4C[C@H]5C[N@@H+](C)C[C@@]5(C)C4)nc4ncnn43)C[C@@]2(C)C1 ZINC000896912890 1196367445 /nfs/dbraw/zinc/36/74/45/1196367445.db2.gz ICJWUDCMSVQVSG-QMKUDKLTSA-N 2 0 396.543 0.900 20 0 GCADRP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643419505 1196395983 /nfs/dbraw/zinc/39/59/83/1196395983.db2.gz WAFWUASOKGJNKJ-ROUUACIJSA-N 2 0 379.549 0.073 20 0 GCADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000897235910 1196407744 /nfs/dbraw/zinc/40/77/44/1196407744.db2.gz ZFGIKTDAKAUQMX-MJGOQNOKSA-N 2 0 379.501 0.886 20 0 GCADRP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000897235911 1196407840 /nfs/dbraw/zinc/40/78/40/1196407840.db2.gz ZFGIKTDAKAUQMX-PKOBYXMFSA-N 2 0 379.501 0.886 20 0 GCADRP O=S1(=O)NC[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN21 ZINC000897282094 1196438443 /nfs/dbraw/zinc/43/84/43/1196438443.db2.gz AYCOCNFXHVOJTA-QGZVFWFLSA-N 2 0 380.514 0.495 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1 ZINC000302878261 1196448683 /nfs/dbraw/zinc/44/86/83/1196448683.db2.gz GJFPLWPHMAVKGI-QGZVFWFLSA-N 2 0 388.516 0.572 20 0 GCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000475559501 1196466419 /nfs/dbraw/zinc/46/64/19/1196466419.db2.gz PDQPVHPDVDYTNB-UHFFFAOYSA-N 2 0 377.489 0.768 20 0 GCADRP CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000523452278 1196524818 /nfs/dbraw/zinc/52/48/18/1196524818.db2.gz HKUJHEKDEAHGRV-SFHVURJKSA-N 2 0 379.549 0.169 20 0 GCADRP O=C(CNC(=O)c1ccc(O)cc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000524302311 1196586915 /nfs/dbraw/zinc/58/69/15/1196586915.db2.gz WRJKCFVQVVWFSE-UHFFFAOYSA-N 2 0 397.479 0.846 20 0 GCADRP COC1(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC[NH2+]CC1 ZINC000168401228 1196677379 /nfs/dbraw/zinc/67/73/79/1196677379.db2.gz SJRKSZNFAIEODR-UHFFFAOYSA-N 2 0 388.512 0.897 20 0 GCADRP C[C@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c[nH]1 ZINC000525698408 1196701436 /nfs/dbraw/zinc/70/14/36/1196701436.db2.gz KFOKDBQAECUVAN-KGLIPLIRSA-N 2 0 387.550 0.703 20 0 GCADRP COC(=O)c1ccc(F)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525882894 1196720785 /nfs/dbraw/zinc/72/07/85/1196720785.db2.gz XKIXGHOEPQRXFR-UHFFFAOYSA-N 2 0 382.436 0.503 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000526075269 1196741019 /nfs/dbraw/zinc/74/10/19/1196741019.db2.gz UDYYZROHJZYPNJ-IBGZPJMESA-N 2 0 377.533 0.853 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H](CO)[C@@H]1CCCO1 ZINC000447973053 1196762954 /nfs/dbraw/zinc/76/29/54/1196762954.db2.gz BEPMHEDGBPEWDO-ROUUACIJSA-N 2 0 377.489 0.433 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000527101363 1196764581 /nfs/dbraw/zinc/76/45/81/1196764581.db2.gz DGVRPUYGBLGYHW-UHFFFAOYSA-N 2 0 388.472 0.962 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000527374235 1196784078 /nfs/dbraw/zinc/78/40/78/1196784078.db2.gz LOLIUSJODLUXLU-UHFFFAOYSA-N 2 0 398.529 0.122 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000527374244 1196784267 /nfs/dbraw/zinc/78/42/67/1196784267.db2.gz PVNAYFNMFZBDHR-UHFFFAOYSA-N 2 0 393.463 0.601 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000527375785 1196784844 /nfs/dbraw/zinc/78/48/44/1196784844.db2.gz WLSVJCYYSMGLCY-MRXNPFEDSA-N 2 0 389.500 0.849 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528333488 1196850151 /nfs/dbraw/zinc/85/01/51/1196850151.db2.gz AJRBSSDOCMMQJV-IRXDYDNUSA-N 2 0 388.578 0.533 20 0 GCADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000528451995 1196860596 /nfs/dbraw/zinc/86/05/96/1196860596.db2.gz QAJVSWHUSMYKKD-LJCCNALRSA-N 2 0 394.560 0.743 20 0 GCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[NH+](C4CCOCC4)CC3)C2)CC1 ZINC000370057598 1196873167 /nfs/dbraw/zinc/87/31/67/1196873167.db2.gz YKJOGRFCEMNVJV-QGZVFWFLSA-N 2 0 379.549 0.661 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000529294771 1196911275 /nfs/dbraw/zinc/91/12/75/1196911275.db2.gz ZSCJKSWNVLCYAI-LJQANCHMSA-N 2 0 375.517 0.612 20 0 GCADRP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000529333687 1196916240 /nfs/dbraw/zinc/91/62/40/1196916240.db2.gz YXJBBFUIWKHCTM-IBGZPJMESA-N 2 0 389.500 0.897 20 0 GCADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000529382212 1196918830 /nfs/dbraw/zinc/91/88/30/1196918830.db2.gz CKVUWLCAUXANIZ-VQTJNVASSA-N 2 0 387.528 0.577 20 0 GCADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000529374603 1196920069 /nfs/dbraw/zinc/92/00/69/1196920069.db2.gz GEGSDRQBVSKXKE-QRQLOZEOSA-N 2 0 381.565 0.953 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000530642299 1197003448 /nfs/dbraw/zinc/00/34/48/1197003448.db2.gz BIAWVBOLYLURJU-UHFFFAOYSA-N 2 0 389.500 0.704 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000531394025 1197070547 /nfs/dbraw/zinc/07/05/47/1197070547.db2.gz UFOLPFGKUWZTSH-KRWDZBQOSA-N 2 0 395.548 0.293 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000531584720 1197085581 /nfs/dbraw/zinc/08/55/81/1197085581.db2.gz GZIMEUROZXTGCL-RTBURBONSA-N 2 0 380.581 0.432 20 0 GCADRP CNc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000531823578 1197099537 /nfs/dbraw/zinc/09/95/37/1197099537.db2.gz MYICSLJEJVDJBY-IRXDYDNUSA-N 2 0 390.580 0.463 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532027649 1197107172 /nfs/dbraw/zinc/10/71/72/1197107172.db2.gz ZIHOYILOPKJJQD-OALUTQOASA-N 2 0 381.565 0.689 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000453711820 1197125278 /nfs/dbraw/zinc/12/52/78/1197125278.db2.gz RGVSWMNPCKUIOO-OAHLLOKOSA-N 2 0 391.520 0.356 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000532264896 1197132370 /nfs/dbraw/zinc/13/23/70/1197132370.db2.gz FFMKCTDTZPCBEQ-NEWSRXKRSA-N 2 0 381.565 0.547 20 0 GCADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCN(C)CC1 ZINC000532281215 1197137858 /nfs/dbraw/zinc/13/78/58/1197137858.db2.gz ITLICIGQDIYPKD-AABGKKOBSA-N 2 0 395.592 0.935 20 0 GCADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCN(C)CC1 ZINC000532281216 1197137948 /nfs/dbraw/zinc/13/79/48/1197137948.db2.gz ITLICIGQDIYPKD-HSALFYBXSA-N 2 0 395.592 0.935 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1=O ZINC000171722939 1197158663 /nfs/dbraw/zinc/15/86/63/1197158663.db2.gz DDQFQRZUYMXZJO-GUDVDZBRSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH+](C)CCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000632460499 1197161975 /nfs/dbraw/zinc/16/19/75/1197161975.db2.gz ZPAAZUDZACZHKH-UHFFFAOYSA-N 2 0 396.557 0.755 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)O1 ZINC000986429537 1197170019 /nfs/dbraw/zinc/17/00/19/1197170019.db2.gz VOVGHRUTPLPICF-ZJPYXAASSA-N 2 0 390.528 0.108 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188832848 1197234323 /nfs/dbraw/zinc/23/43/23/1197234323.db2.gz WFSNBILKNAIVKC-IRXDYDNUSA-N 2 0 382.549 0.974 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000189383622 1197236387 /nfs/dbraw/zinc/23/63/87/1197236387.db2.gz MZZWULAUQJLYCB-MRXNPFEDSA-N 2 0 376.505 0.860 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)c1 ZINC000103854445 1197280847 /nfs/dbraw/zinc/28/08/47/1197280847.db2.gz YEKHNUPNHBNAJE-UHFFFAOYSA-N 2 0 390.532 0.949 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000729610174 1197308324 /nfs/dbraw/zinc/30/83/24/1197308324.db2.gz DODWOKQGHXQQBE-BBWFWOEESA-N 2 0 381.521 0.092 20 0 GCADRP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956740 1197308396 /nfs/dbraw/zinc/30/83/96/1197308396.db2.gz BZHUPIXMTUNWQV-HOCLYGCPSA-N 2 0 387.488 0.247 20 0 GCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc21 ZINC000897440165 1197325951 /nfs/dbraw/zinc/32/59/51/1197325951.db2.gz OANVFKWCQLXCAR-IBGZPJMESA-N 2 0 377.489 0.736 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCOC)CC2)CC1=O ZINC000105328855 1197326779 /nfs/dbraw/zinc/32/67/79/1197326779.db2.gz AQFQERTVXCFOLT-AEFFLSMTSA-N 2 0 380.533 0.546 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC3CC[NH+](CCCOC)CC3)C2)CC1 ZINC000106557280 1197326931 /nfs/dbraw/zinc/32/69/31/1197326931.db2.gz NCJOWXQOAGZXDN-LJQANCHMSA-N 2 0 381.565 0.909 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000112212914 1197333667 /nfs/dbraw/zinc/33/36/67/1197333667.db2.gz VDKZETCYTNDRMZ-GOSISDBHSA-N 2 0 381.565 0.766 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1=O ZINC000112911252 1197335328 /nfs/dbraw/zinc/33/53/28/1197335328.db2.gz VVPRRYJVPAYTSO-MOPGFXCFSA-N 2 0 393.576 0.415 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1=O ZINC000112911251 1197335410 /nfs/dbraw/zinc/33/54/10/1197335410.db2.gz VVPRRYJVPAYTSO-RTBURBONSA-N 2 0 393.576 0.415 20 0 GCADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001168242518 1197340729 /nfs/dbraw/zinc/34/07/29/1197340729.db2.gz CFSCUOFZTFHAMC-IBGZPJMESA-N 2 0 382.501 0.777 20 0 GCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3C[NH+](C4CC4)C[C@H]3C)CC2)C1 ZINC000332922913 1197347099 /nfs/dbraw/zinc/34/70/99/1197347099.db2.gz DZMMBFZDWLEECZ-MISYRCLQSA-N 2 0 393.576 0.906 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418863330 1197381047 /nfs/dbraw/zinc/38/10/47/1197381047.db2.gz PIFPNCURUDHPNQ-PXNSSMCTSA-N 2 0 376.501 0.920 20 0 GCADRP CN1CCN(c2ncc(C[NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)cn2)CC1 ZINC000134401373 1197385606 /nfs/dbraw/zinc/38/56/06/1197385606.db2.gz DGIUZYXQDHTRJA-UHFFFAOYSA-N 2 0 394.545 0.275 20 0 GCADRP O=C(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478791 1197391239 /nfs/dbraw/zinc/39/12/39/1197391239.db2.gz GHGAFMHCJMPJEY-ROUUACIJSA-N 2 0 385.512 0.968 20 0 GCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000897494180 1197402373 /nfs/dbraw/zinc/40/23/73/1197402373.db2.gz NAKQAEKGYDWNFF-SFHVURJKSA-N 2 0 393.576 0.463 20 0 GCADRP COc1nccc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000454428732 1197414862 /nfs/dbraw/zinc/41/48/62/1197414862.db2.gz QSJUJDVVPVDGOX-UHFFFAOYSA-N 2 0 385.472 0.892 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000419340142 1197417735 /nfs/dbraw/zinc/41/77/35/1197417735.db2.gz MXDUFJQHTSXRQC-UHFFFAOYSA-N 2 0 375.517 0.294 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000533223741 1197439338 /nfs/dbraw/zinc/43/93/38/1197439338.db2.gz MHFKCIRASWAFJO-SFHVURJKSA-N 2 0 381.565 0.907 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246348500 1197465284 /nfs/dbraw/zinc/46/52/84/1197465284.db2.gz NETSNISCKKXGPE-KZNAEPCWSA-N 2 0 379.549 0.071 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000246478870 1197471487 /nfs/dbraw/zinc/47/14/87/1197471487.db2.gz RIXJFZBYJPEXRH-HKUYNNGSSA-N 2 0 394.560 0.936 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1=O ZINC000247113692 1197476101 /nfs/dbraw/zinc/47/61/01/1197476101.db2.gz VVPRRYJVPAYTSO-OALUTQOASA-N 2 0 393.576 0.415 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000249412049 1197482101 /nfs/dbraw/zinc/48/21/01/1197482101.db2.gz VKOXYXSVEOOARJ-RCCFBDPRSA-N 2 0 394.560 0.623 20 0 GCADRP C[NH+]1CCCC[C@@H]1C(=O)N1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000614909697 1197486563 /nfs/dbraw/zinc/48/65/63/1197486563.db2.gz WFRHVHUKHFJNEZ-ZWKOTPCHSA-N 2 0 379.549 0.215 20 0 GCADRP O=C(NC[C@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261794580 1197515397 /nfs/dbraw/zinc/51/53/97/1197515397.db2.gz IKCAJBBYOKWLCC-CVEARBPZSA-N 2 0 391.516 0.431 20 0 GCADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000262012762 1197522032 /nfs/dbraw/zinc/52/20/32/1197522032.db2.gz UXIWUVDEKPSLNH-OAHLLOKOSA-N 2 0 396.557 0.703 20 0 GCADRP CCN1CCN(C(=O)CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000262171850 1197527154 /nfs/dbraw/zinc/52/71/54/1197527154.db2.gz QKZUZYJPFHTWEK-UHFFFAOYSA-N 2 0 379.549 0.075 20 0 GCADRP O=C(CN1CCN(CCC(=O)N2CC[NH2+]CC2)CC1)Nc1ccc(F)cc1 ZINC000262207227 1197528655 /nfs/dbraw/zinc/52/86/55/1197528655.db2.gz SSSCWJJRKLNNOL-UHFFFAOYSA-N 2 0 377.464 0.204 20 0 GCADRP COCC1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000262411928 1197530592 /nfs/dbraw/zinc/53/05/92/1197530592.db2.gz SPOJCMGHLIRLSQ-UHFFFAOYSA-N 2 0 376.501 0.610 20 0 GCADRP C[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000455656963 1197560161 /nfs/dbraw/zinc/56/01/61/1197560161.db2.gz CGZYQPFOXHABNV-HZPDHXFCSA-N 2 0 382.549 0.981 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671365678 1199056389 /nfs/dbraw/zinc/05/63/89/1199056389.db2.gz XVRLHTMCCOFQKZ-FUHWJXTLSA-N 2 0 381.565 0.460 20 0 GCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465828591 1199077443 /nfs/dbraw/zinc/07/74/43/1199077443.db2.gz CCCJTLYMABQQMA-QZTJIDSGSA-N 2 0 396.580 0.112 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cnccn1 ZINC000465839582 1199081296 /nfs/dbraw/zinc/08/12/96/1199081296.db2.gz POYAHIGLCWSFFK-MRXNPFEDSA-N 2 0 391.520 0.264 20 0 GCADRP C[C@@](O)(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)CN1CCOCC1 ZINC000465854134 1199088265 /nfs/dbraw/zinc/08/82/65/1199088265.db2.gz FYGWJRSWHZKFTO-GOSISDBHSA-N 2 0 384.521 0.014 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627302302 1199116643 /nfs/dbraw/zinc/11/66/43/1199116643.db2.gz HIKNANVNKRAPEQ-UONOGXRCSA-N 2 0 378.439 0.820 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672203826 1199158397 /nfs/dbraw/zinc/15/83/97/1199158397.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 2 0 393.576 0.604 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672204398 1199159060 /nfs/dbraw/zinc/15/90/60/1199159060.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 2 0 379.549 0.262 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672204400 1199159169 /nfs/dbraw/zinc/15/91/69/1199159169.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 2 0 379.549 0.262 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)CC1 ZINC000672206892 1199160633 /nfs/dbraw/zinc/16/06/33/1199160633.db2.gz NBGRLKQYUQAZRY-KRWDZBQOSA-N 2 0 393.576 0.602 20 0 GCADRP CN1CCN(CC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000672213516 1199161323 /nfs/dbraw/zinc/16/13/23/1199161323.db2.gz FNIHWWGEIMTRAL-NRFANRHFSA-N 2 0 385.556 0.653 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656358176 1199189076 /nfs/dbraw/zinc/18/90/76/1199189076.db2.gz IZBDTRFKRXKULL-XDNAFOTISA-N 2 0 380.533 0.735 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672307994 1199197532 /nfs/dbraw/zinc/19/75/32/1199197532.db2.gz VNMFJUGYTCYKDP-WBVHZDCISA-N 2 0 378.517 0.299 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000672305858 1199197879 /nfs/dbraw/zinc/19/78/79/1199197879.db2.gz GVRLJHULCMYCCF-GOSISDBHSA-N 2 0 392.544 0.690 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672308875 1199202413 /nfs/dbraw/zinc/20/24/13/1199202413.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672308942 1199203386 /nfs/dbraw/zinc/20/33/86/1199203386.db2.gz FBOMCFFXFRBQQT-KRWDZBQOSA-N 2 0 380.533 0.546 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672313348 1199204877 /nfs/dbraw/zinc/20/48/77/1199204877.db2.gz LZNLFWVCIFCVPP-QGZVFWFLSA-N 2 0 380.533 0.738 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672311568 1199204911 /nfs/dbraw/zinc/20/49/11/1199204911.db2.gz JDGFXQXDHXRFQK-ROUUACIJSA-N 2 0 380.533 0.546 20 0 GCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC[C@@H]21 ZINC000672313597 1199204954 /nfs/dbraw/zinc/20/49/54/1199204954.db2.gz GHQXHIQMNDRDFU-ROUUACIJSA-N 2 0 392.544 0.690 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313438 1199205089 /nfs/dbraw/zinc/20/50/89/1199205089.db2.gz CXNVHRSMAUEXAQ-QGZVFWFLSA-N 2 0 380.533 0.737 20 0 GCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313121 1199206029 /nfs/dbraw/zinc/20/60/29/1199206029.db2.gz LCKIHTDUKKLGIF-ROUUACIJSA-N 2 0 392.544 0.690 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949017 1199216858 /nfs/dbraw/zinc/21/68/58/1199216858.db2.gz MMTBYZIKMJUUKH-DLBZAZTESA-N 2 0 383.537 0.326 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465951152 1199217453 /nfs/dbraw/zinc/21/74/53/1199217453.db2.gz NIKNCPYOOBQONC-MRXNPFEDSA-N 2 0 383.537 0.062 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465956324 1199224666 /nfs/dbraw/zinc/22/46/66/1199224666.db2.gz XMFBEFSEORYKIR-INIZCTEOSA-N 2 0 383.537 0.326 20 0 GCADRP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000465957398 1199226170 /nfs/dbraw/zinc/22/61/70/1199226170.db2.gz QBBSQWMYAHMWAB-QZTJIDSGSA-N 2 0 396.580 0.145 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000672513170 1199253346 /nfs/dbraw/zinc/25/33/46/1199253346.db2.gz RHFHNVBZONOKCH-INIZCTEOSA-N 2 0 395.548 0.036 20 0 GCADRP CC(C)n1cc([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672608325 1199281344 /nfs/dbraw/zinc/28/13/44/1199281344.db2.gz MBEBWICDWFUJLI-DOTOQJQBSA-N 2 0 390.532 0.926 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638225 1199290441 /nfs/dbraw/zinc/29/04/41/1199290441.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 2 0 393.576 0.652 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638640 1199290870 /nfs/dbraw/zinc/29/08/70/1199290870.db2.gz GEEFLIURIGZHEI-MSOLQXFVSA-N 2 0 393.576 0.509 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639542 1199292426 /nfs/dbraw/zinc/29/24/26/1199292426.db2.gz QDZJWBRFJIVVFR-QZTJIDSGSA-N 2 0 391.560 0.215 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638727 1199294615 /nfs/dbraw/zinc/29/46/15/1199294615.db2.gz IBIXHIIQXQALOQ-KRWDZBQOSA-N 2 0 381.565 0.317 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672640499 1199294646 /nfs/dbraw/zinc/29/46/46/1199294646.db2.gz WAEXZAMXGSRGCS-QGZVFWFLSA-N 2 0 393.576 0.604 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640967 1199297636 /nfs/dbraw/zinc/29/76/36/1199297636.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641016 1199299295 /nfs/dbraw/zinc/29/92/95/1199299295.db2.gz JUPMTSRJVFNUKW-JKSUJKDBSA-N 2 0 381.565 0.364 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672642485 1199301793 /nfs/dbraw/zinc/30/17/93/1199301793.db2.gz BMQDISWDHHQYCN-SJORKVTESA-N 2 0 379.549 0.260 20 0 GCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672641800 1199303767 /nfs/dbraw/zinc/30/37/67/1199303767.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 2 0 379.549 0.071 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672695606 1199314711 /nfs/dbraw/zinc/31/47/11/1199314711.db2.gz NGVFRSDJJJARHY-MSOLQXFVSA-N 2 0 379.549 0.215 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672690095 1199317009 /nfs/dbraw/zinc/31/70/09/1199317009.db2.gz NIRRTICCWWMXHF-IRXDYDNUSA-N 2 0 380.533 0.594 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000672699339 1199318292 /nfs/dbraw/zinc/31/82/92/1199318292.db2.gz SSUPMKKTCJDBKJ-KRWDZBQOSA-N 2 0 382.549 0.983 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000672697265 1199318776 /nfs/dbraw/zinc/31/87/76/1199318776.db2.gz PPKKPAMGCZWFEU-QZTJIDSGSA-N 2 0 380.533 0.548 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000672699076 1199319524 /nfs/dbraw/zinc/31/95/24/1199319524.db2.gz XVRUEXMDTYHWIJ-MRXNPFEDSA-N 2 0 389.500 0.729 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000673096078 1199417101 /nfs/dbraw/zinc/41/71/01/1199417101.db2.gz XCQKSKFPMPVHFW-CRAIPNDOSA-N 2 0 388.512 0.037 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000673133882 1199436366 /nfs/dbraw/zinc/43/63/66/1199436366.db2.gz YETYEUHGZXCYRU-UHFFFAOYSA-N 2 0 378.492 0.925 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000673224375 1199487966 /nfs/dbraw/zinc/48/79/66/1199487966.db2.gz KUIOLHBKOVWEEO-IAGOWNOFSA-N 2 0 381.565 0.317 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000466147497 1199496103 /nfs/dbraw/zinc/49/61/03/1199496103.db2.gz SPBOJRFUBSMJKT-WOJBJXKFSA-N 3 0 396.624 0.927 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627347058 1199498340 /nfs/dbraw/zinc/49/83/40/1199498340.db2.gz OKGBZLOHNWNFKM-IBGZPJMESA-N 2 0 388.512 0.783 20 0 GCADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000673288310 1199519769 /nfs/dbraw/zinc/51/97/69/1199519769.db2.gz JUUYJCGKRFBMPI-IEBWSBKVSA-N 2 0 388.512 0.859 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000627349308 1199535810 /nfs/dbraw/zinc/53/58/10/1199535810.db2.gz JFNYZSDYQCSWBY-UHXUPSOCSA-N 2 0 376.423 0.714 20 0 GCADRP Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(OCC[NH+](C)C)c1 ZINC000265830195 1199537990 /nfs/dbraw/zinc/53/79/90/1199537990.db2.gz RUDHSYDLCQSUII-MRXNPFEDSA-N 2 0 391.516 0.236 20 0 GCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000673370639 1199580794 /nfs/dbraw/zinc/58/07/94/1199580794.db2.gz HWAYUOFGNBFOLX-UHFFFAOYSA-N 2 0 394.560 0.938 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000265870109 1199809745 /nfs/dbraw/zinc/80/97/45/1199809745.db2.gz YPMDTXKQWDPLRQ-UHFFFAOYSA-N 2 0 380.489 0.568 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583051 1199829482 /nfs/dbraw/zinc/82/94/82/1199829482.db2.gz MQEGIBIGIFLKJA-RCCFBDPRSA-N 2 0 378.517 0.081 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583857 1199831189 /nfs/dbraw/zinc/83/11/89/1199831189.db2.gz OHVKSUDHHVEVDI-QZTJIDSGSA-N 2 0 392.544 0.567 20 0 GCADRP Cn1cc(N2C[C@H](C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)CC2=O)cn1 ZINC000624938421 1199842875 /nfs/dbraw/zinc/84/28/75/1199842875.db2.gz YVXJSAOZBJAGBH-OAHLLOKOSA-N 2 0 388.516 0.448 20 0 GCADRP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C(=O)N3CCC[C@@H]3C(N)=O)cc2Cl)CC1 ZINC001168735548 1199879082 /nfs/dbraw/zinc/87/90/82/1199879082.db2.gz BOASYCXIDMRSTB-CYBMUJFWSA-N 2 0 393.879 0.419 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000265894983 1199886307 /nfs/dbraw/zinc/88/63/07/1199886307.db2.gz WKWYUHMDTBNAQJ-UHFFFAOYSA-N 2 0 389.544 0.560 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625022749 1199892216 /nfs/dbraw/zinc/89/22/16/1199892216.db2.gz BCARWOAWJHPJNR-IAGOWNOFSA-N 2 0 390.532 0.648 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000673672325 1199926861 /nfs/dbraw/zinc/92/68/61/1199926861.db2.gz CBZWHJJNFKODRG-UNMCSNQZSA-N 2 0 386.540 0.862 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000670472026 1200232165 /nfs/dbraw/zinc/23/21/65/1200232165.db2.gz XQDRZWZAJSDZKS-UHFFFAOYSA-N 2 0 381.565 0.461 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000888462241 1200239409 /nfs/dbraw/zinc/23/94/09/1200239409.db2.gz CNAJSGANIOLQLX-INIZCTEOSA-N 2 0 383.537 0.637 20 0 GCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC[NH+]3CCCC3)ccc2oc1=O ZINC000172304404 1200270597 /nfs/dbraw/zinc/27/05/97/1200270597.db2.gz SQJQWMNIHOCWSU-UHFFFAOYSA-N 2 0 389.456 0.307 20 0 GCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000674872030 1200328123 /nfs/dbraw/zinc/32/81/23/1200328123.db2.gz KMFZNMADGVAWJM-INIZCTEOSA-N 2 0 379.505 0.940 20 0 GCADRP CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccco1 ZINC000670526489 1200404270 /nfs/dbraw/zinc/40/42/70/1200404270.db2.gz YPOHZZRUVUWMMX-IRXDYDNUSA-N 2 0 391.516 0.237 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000675498076 1200421844 /nfs/dbraw/zinc/42/18/44/1200421844.db2.gz LIXYHUPGDLKRHP-UHFFFAOYSA-N 2 0 389.481 0.880 20 0 GCADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H](C)C1 ZINC000560146840 1200625619 /nfs/dbraw/zinc/62/56/19/1200625619.db2.gz DVASFBKSARCOFJ-UXLLHSPISA-N 2 0 382.468 1.395 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+]1CCCCC1 ZINC000373273937 1200653516 /nfs/dbraw/zinc/65/35/16/1200653516.db2.gz ZBQAIVASXRNHQZ-MRXNPFEDSA-N 2 0 390.532 1.327 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)n2)CC1 ZINC000408369646 1200672199 /nfs/dbraw/zinc/67/21/99/1200672199.db2.gz ACPQUENOXUVGAX-NVXWUHKLSA-N 2 0 388.516 1.031 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)n2)CC1 ZINC000408369645 1200672512 /nfs/dbraw/zinc/67/25/12/1200672512.db2.gz ACPQUENOXUVGAX-DOTOQJQBSA-N 2 0 388.516 1.031 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000570074087 1200863845 /nfs/dbraw/zinc/86/38/45/1200863845.db2.gz KMAODUDVKJLIKJ-SJORKVTESA-N 2 0 398.467 0.965 20 0 GCADRP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000923377596 1200973885 /nfs/dbraw/zinc/97/38/85/1200973885.db2.gz ODJOSTGLWQSZLB-HOJAQTOUSA-N 2 0 388.512 0.955 20 0 GCADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000923396549 1200988986 /nfs/dbraw/zinc/98/89/86/1200988986.db2.gz DXSLCFDBVOJPLJ-GOSISDBHSA-N 2 0 379.549 0.995 20 0 GCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000923485544 1201040493 /nfs/dbraw/zinc/04/04/93/1201040493.db2.gz VKJHRMIGSPNZQU-HNNXBMFYSA-N 2 0 398.504 0.329 20 0 GCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448508391 1201071656 /nfs/dbraw/zinc/07/16/56/1201071656.db2.gz SAUCPZWZYGMITF-WMZOPIPTSA-N 2 0 398.511 1.335 20 0 GCADRP COCc1ncc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(N)n1 ZINC000493253979 1201111550 /nfs/dbraw/zinc/11/15/50/1201111550.db2.gz ZHEZZAHVHGCGTI-UHFFFAOYSA-N 2 0 385.472 0.542 20 0 GCADRP O=S(=O)(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000923591977 1201172897 /nfs/dbraw/zinc/17/28/97/1201172897.db2.gz MXQVKOBAZSGODN-UHFFFAOYSA-N 2 0 381.546 0.328 20 0 GCADRP C[NH+]1CC[C@@H]2OCCN(CCCCCN3CCO[C@@H]4CC[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000497128343 1201194234 /nfs/dbraw/zinc/19/42/34/1201194234.db2.gz ZWVOEZNWWTTWQR-UJOPUZHASA-N 2 0 380.577 0.967 20 0 GCADRP C[NH+]1CC[C@@H]2OCCN(CCCCCN3CCO[C@@H]4CC[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000497128345 1201194740 /nfs/dbraw/zinc/19/47/40/1201194740.db2.gz ZWVOEZNWWTTWQR-XSDIEEQYSA-N 2 0 380.577 0.967 20 0 GCADRP CC[C@H]1CN(CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000495003874 1201295802 /nfs/dbraw/zinc/29/58/02/1201295802.db2.gz DPYUFWCIJVXVHW-KRWDZBQOSA-N 2 0 383.537 0.339 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000495365195 1201301570 /nfs/dbraw/zinc/30/15/70/1201301570.db2.gz ZUQCIXBLGLBREW-HOTGVXAUSA-N 2 0 383.537 0.026 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000495365194 1201302174 /nfs/dbraw/zinc/30/21/74/1201302174.db2.gz ZUQCIXBLGLBREW-CVEARBPZSA-N 2 0 383.537 0.026 20 0 GCADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082518600 1201335848 /nfs/dbraw/zinc/33/58/48/1201335848.db2.gz VFJQMUXFGZDVIW-OWYHZJEWSA-N 2 0 390.532 0.462 20 0 GCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001082521139 1201337217 /nfs/dbraw/zinc/33/72/17/1201337217.db2.gz PBPXPYSJFLWLFZ-KBUPBQIOSA-N 2 0 379.505 0.094 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@@H+]1C ZINC001082522678 1201337736 /nfs/dbraw/zinc/33/77/36/1201337736.db2.gz WXFOQLGYTRLNIB-BZZMCLGOSA-N 2 0 385.574 0.978 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001082522611 1201337858 /nfs/dbraw/zinc/33/78/58/1201337858.db2.gz RXEGYAQESBHWSL-YYIAUSFCSA-N 2 0 386.562 0.189 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)COCCOCC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000731436306 1201483832 /nfs/dbraw/zinc/48/38/32/1201483832.db2.gz WILMXQDONBSKMV-HDICACEKSA-N 2 0 398.548 0.125 20 0 GCADRP C[NH+](C)[C@H]1CCCN(C(=O)COCCOCC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000731436309 1201484272 /nfs/dbraw/zinc/48/42/72/1201484272.db2.gz WILMXQDONBSKMV-ROUUACIJSA-N 2 0 398.548 0.125 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NNC1=[NH+]CC2=CNN(C(C)(C)C)C2=N1 ZINC000731948441 1201510539 /nfs/dbraw/zinc/51/05/39/1201510539.db2.gz ZRPXLIDXAFIPNU-ZDUSSCGKSA-N 2 0 378.550 0.710 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000733155898 1201578290 /nfs/dbraw/zinc/57/82/90/1201578290.db2.gz FZAZJVARBBOZEB-UHFFFAOYSA-N 2 0 388.509 0.819 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(=O)n3nccc3[nH]2)CC[N@@H+]1C ZINC001085201969 1201633543 /nfs/dbraw/zinc/63/35/43/1201633543.db2.gz IDPYSAXPPKPMTB-MWQQHZPXSA-N 2 0 386.500 0.880 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740892689 1201752279 /nfs/dbraw/zinc/75/22/79/1201752279.db2.gz DCRGMOGIBVXVMY-UHFFFAOYSA-N 2 0 384.502 0.757 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000745824674 1201891380 /nfs/dbraw/zinc/89/13/80/1201891380.db2.gz KWZHNQBBKOZOAK-IEBWSBKVSA-N 2 0 381.565 0.813 20 0 GCADRP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000745824676 1201891526 /nfs/dbraw/zinc/89/15/26/1201891526.db2.gz KWZHNQBBKOZOAK-PKOBYXMFSA-N 2 0 381.565 0.813 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000745830727 1201892125 /nfs/dbraw/zinc/89/21/25/1201892125.db2.gz PNXLVZGFRLSFMK-AEFFLSMTSA-N 2 0 395.548 0.516 20 0 GCADRP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N1CCC2(CC1)OCCO2 ZINC000745989775 1201894093 /nfs/dbraw/zinc/89/40/93/1201894093.db2.gz ZQEYLWDIAKRBRJ-UHFFFAOYSA-N 2 0 381.517 0.929 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1CC[NH+](C)CC1 ZINC001169162212 1201934039 /nfs/dbraw/zinc/93/40/39/1201934039.db2.gz KHNRWWUCCLMGPK-HNNXBMFYSA-N 2 0 390.532 0.924 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCSCC[NH3+] ZINC001169181610 1201937824 /nfs/dbraw/zinc/93/78/24/1201937824.db2.gz SGHIXTWNCAIJTI-ZDUSSCGKSA-N 2 0 382.534 0.274 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398617 1201946213 /nfs/dbraw/zinc/94/62/13/1201946213.db2.gz SALNCVGGOFBVAA-VSZNYVQBSA-N 2 0 397.516 0.208 20 0 GCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001169445990 1201948071 /nfs/dbraw/zinc/94/80/71/1201948071.db2.gz CYWIMGHNPCZHJM-QGZVFWFLSA-N 2 0 377.526 0.248 20 0 GCADRP C[C@@H]1C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000767612681 1201979789 /nfs/dbraw/zinc/97/97/89/1201979789.db2.gz QUIPDUUIBDOUPD-VQIMIIECSA-N 2 0 380.558 0.834 20 0 GCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109272419 1202010478 /nfs/dbraw/zinc/01/04/78/1202010478.db2.gz ITMAWAYAOUTYML-YDZRNGNQSA-N 2 0 380.533 0.733 20 0 GCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001109371743 1202031619 /nfs/dbraw/zinc/03/16/19/1202031619.db2.gz SKZWHILNQFBDOM-YDZRNGNQSA-N 2 0 380.533 0.735 20 0 GCADRP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O)[NH+](CC)CC ZINC001109714212 1202109917 /nfs/dbraw/zinc/10/99/17/1202109917.db2.gz BTDZMIVQQKRTNP-XWSJACJDSA-N 2 0 382.549 0.981 20 0 GCADRP CN(CC1CC1)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109846303 1202134671 /nfs/dbraw/zinc/13/46/71/1202134671.db2.gz DPYFHXGCGAUZKF-SQNIBIBYSA-N 2 0 378.517 0.299 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1 ZINC001109847725 1202134915 /nfs/dbraw/zinc/13/49/15/1202134915.db2.gz DQLXDFPGMCBYHX-YRXWBPOGSA-N 2 0 381.517 0.626 20 0 GCADRP C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC[NH+]1C ZINC000771392751 1202139521 /nfs/dbraw/zinc/13/95/21/1202139521.db2.gz AIFNHGLSSGPWDB-BDXSIMOUSA-N 2 0 398.548 0.122 20 0 GCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001109867103 1202140171 /nfs/dbraw/zinc/14/01/71/1202140171.db2.gz TZDFEJXIWBFVAL-QPSCCSFWSA-N 2 0 381.439 0.990 20 0 GCADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001110002417 1202173016 /nfs/dbraw/zinc/17/30/16/1202173016.db2.gz GJGXOXMHPZLUIM-PMPSAXMXSA-N 2 0 379.505 0.382 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000787913020 1205407863 /nfs/dbraw/zinc/40/78/63/1205407863.db2.gz ULNCGLPRNUEGQI-SFHVURJKSA-N 2 0 381.565 0.511 20 0 GCADRP C[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000790376098 1205463848 /nfs/dbraw/zinc/46/38/48/1205463848.db2.gz VNLGWLMEJLJCQO-LMNJBCLMSA-N 2 0 391.560 0.818 20 0 GCADRP CC[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCO1 ZINC001170177574 1205489319 /nfs/dbraw/zinc/48/93/19/1205489319.db2.gz HIBOBNJDJIOHKD-RTBURBONSA-N 2 0 392.537 0.575 20 0 GCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncccc2C(=O)NCCC[NH+](C)C)O1 ZINC001170277440 1205490337 /nfs/dbraw/zinc/49/03/37/1205490337.db2.gz KYBWCAUIRWKYPT-GPMSIDNRSA-N 2 0 379.505 0.900 20 0 GCADRP Cn1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001170390118 1205491340 /nfs/dbraw/zinc/49/13/40/1205491340.db2.gz HMXYWNSFTDIWRF-KISBBLTOSA-N 2 0 397.520 0.054 20 0 GCADRP COc1cnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])nc1 ZINC001170391480 1205491375 /nfs/dbraw/zinc/49/13/75/1205491375.db2.gz YRBBZLYAJRPDSS-WRHRSQKMSA-N 2 0 397.520 0.759 20 0 GCADRP Cc1ccc[n+]([O-])c1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389723 1205491377 /nfs/dbraw/zinc/49/13/77/1205491377.db2.gz CYKTTXCYCMRVGX-BGJMDTOESA-N 2 0 396.532 0.902 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(N)nn2)[C@H](O)OC(C)(C)C)C1 ZINC001170393618 1205491536 /nfs/dbraw/zinc/49/15/36/1205491536.db2.gz JSDUSUXBPKVWTP-AVVLXZEZSA-N 2 0 382.509 0.332 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(N)nn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170393620 1205491543 /nfs/dbraw/zinc/49/15/43/1205491543.db2.gz JSDUSUXBPKVWTP-NTLKJNNPSA-N 2 0 382.509 0.332 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncncc2F)[C@H](O)OC(C)(C)C)C1 ZINC001170396233 1205491593 /nfs/dbraw/zinc/49/15/93/1205491593.db2.gz BUJGYIVILPFBAE-OHYFQZGNSA-N 2 0 385.484 0.889 20 0 GCADRP Cn1nccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1=O ZINC001170399873 1205491943 /nfs/dbraw/zinc/49/19/43/1205491943.db2.gz OQWLTORBVQQVLR-VLGRORTASA-N 2 0 397.520 0.054 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000793710567 1205503068 /nfs/dbraw/zinc/50/30/68/1205503068.db2.gz SNQXAFAYBFBPSS-IRXDYDNUSA-N 2 0 380.533 0.689 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000793710568 1205503128 /nfs/dbraw/zinc/50/31/28/1205503128.db2.gz SNQXAFAYBFBPSS-SJORKVTESA-N 2 0 380.533 0.689 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000793698309 1205504129 /nfs/dbraw/zinc/50/41/29/1205504129.db2.gz IXLDVKWLCOXDRV-ZWKOTPCHSA-N 2 0 380.533 0.548 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000793707123 1205504578 /nfs/dbraw/zinc/50/45/78/1205504578.db2.gz DNIXCJPFLYDAHE-INIZCTEOSA-N 2 0 382.549 0.983 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000793708989 1205504915 /nfs/dbraw/zinc/50/49/15/1205504915.db2.gz NMEMSWXWCCRLHU-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)C1 ZINC000793738791 1205505464 /nfs/dbraw/zinc/50/54/64/1205505464.db2.gz VTNMRURWZNYVMH-SFHVURJKSA-N 2 0 393.576 0.604 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000793850349 1205507713 /nfs/dbraw/zinc/50/77/13/1205507713.db2.gz XEDNRTALYJOPIY-BRWVUGGUSA-N 2 0 392.500 0.758 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000793909440 1205509256 /nfs/dbraw/zinc/50/92/56/1205509256.db2.gz GYEBFNJRECSVFJ-IKGGRYGDSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)O1 ZINC001129912395 1205522794 /nfs/dbraw/zinc/52/27/94/1205522794.db2.gz CNNQTQVYPJXISG-WCXIOVBPSA-N 2 0 378.521 0.775 20 0 GCADRP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912433 1205522893 /nfs/dbraw/zinc/52/28/93/1205522893.db2.gz FVTABIYNNGOSII-ZJPYXAASSA-N 2 0 378.521 0.919 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CC[N@@H+]1C ZINC001130782932 1205570023 /nfs/dbraw/zinc/57/00/23/1205570023.db2.gz GMMKHZNVJFZWBN-BYNSBNAKSA-N 2 0 382.484 0.930 20 0 GCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994411 1205585089 /nfs/dbraw/zinc/58/50/89/1205585089.db2.gz ZDBHQMCRMFKLAN-BRSBDYLESA-N 2 0 393.532 0.307 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NC3CC3)CC2)CC[N@@H+]1C ZINC001131500196 1205613376 /nfs/dbraw/zinc/61/33/76/1205613376.db2.gz MGSMGQOZIUUXIZ-ZESCBINXSA-N 2 0 392.544 0.591 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170563560 1205613451 /nfs/dbraw/zinc/61/34/51/1205613451.db2.gz MGGLHNLVAQICMS-VYDXJSESSA-N 2 0 394.516 0.976 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)C(=O)OC4)C2)CC1 ZINC000808940333 1205614897 /nfs/dbraw/zinc/61/48/97/1205614897.db2.gz VQOPKYGJSDNBBO-HNNXBMFYSA-N 2 0 386.452 0.580 20 0 GCADRP CC(C)([NH3+])CN(c1ccnc(N2CC[NH2+]CC2)n1)S(=O)(=O)c1ccccc1 ZINC001170595949 1205633459 /nfs/dbraw/zinc/63/34/59/1205633459.db2.gz HDIMGXNLAXJMKK-UHFFFAOYSA-N 2 0 390.513 0.819 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001086701320 1205661265 /nfs/dbraw/zinc/66/12/65/1205661265.db2.gz PLLFMCZUBMKDAF-VVLHAWIVSA-N 2 0 378.517 0.740 20 0 GCADRP COC(=O)[C@H]1[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000813614915 1205678202 /nfs/dbraw/zinc/67/82/02/1205678202.db2.gz NQGGWEABPSFBMY-PIIMJCKOSA-N 2 0 387.484 0.654 20 0 GCADRP CCN1CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1=O ZINC001172040263 1205712555 /nfs/dbraw/zinc/71/25/55/1205712555.db2.gz NUUZXPCBXQCWRR-QGZVFWFLSA-N 2 0 379.549 0.168 20 0 GCADRP CCN1CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1=O ZINC001172040251 1205712577 /nfs/dbraw/zinc/71/25/77/1205712577.db2.gz NUUZXPCBXQCWRR-KRWDZBQOSA-N 2 0 379.549 0.168 20 0 GCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172221053 1205714564 /nfs/dbraw/zinc/71/45/64/1205714564.db2.gz SEWNXUMYLKYKLP-YQQQUEKLSA-N 2 0 390.521 0.328 20 0 GCADRP CCOCC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001172415487 1205715876 /nfs/dbraw/zinc/71/58/76/1205715876.db2.gz WAMWKRRHQSJUAF-SFHVURJKSA-N 2 0 380.526 0.433 20 0 GCADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001172601322 1205716412 /nfs/dbraw/zinc/71/64/12/1205716412.db2.gz KCKQPKKXTJCCKH-DLBZAZTESA-N 2 0 376.494 0.333 20 0 GCADRP COC(=O)N1CCC([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1 ZINC001172738113 1205716954 /nfs/dbraw/zinc/71/69/54/1205716954.db2.gz REXVUQHWHWRCHS-UHFFFAOYSA-N 2 0 395.548 0.387 20 0 GCADRP COc1cccc2c1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CO2 ZINC001173163586 1205719001 /nfs/dbraw/zinc/71/90/01/1205719001.db2.gz LRCRKEHWEJVOBD-KRWDZBQOSA-N 2 0 398.500 0.613 20 0 GCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173484322 1205720862 /nfs/dbraw/zinc/72/08/62/1205720862.db2.gz MGHNDDWTARJGRC-OALUTQOASA-N 2 0 388.512 0.670 20 0 GCADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)C[C@@H]1C(=O)OC ZINC001173581113 1205724951 /nfs/dbraw/zinc/72/49/51/1205724951.db2.gz GPHKFZZDKCRXAX-FQUUOJAGSA-N 2 0 387.477 0.907 20 0 GCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173749971 1205727251 /nfs/dbraw/zinc/72/72/51/1205727251.db2.gz DJAHNQOITLWWSY-QZTJIDSGSA-N 2 0 385.516 0.981 20 0 GCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173750188 1205727308 /nfs/dbraw/zinc/72/73/08/1205727308.db2.gz HSRZERGPGHEHBE-CABCVRRESA-N 2 0 378.477 0.753 20 0 GCADRP CN1CCCn2nc(C(=O)n3cc(Br)ccc3=NCC[NH3+])cc2C1 ZINC001175104141 1205734785 /nfs/dbraw/zinc/73/47/85/1205734785.db2.gz CWHNMJDSOMBGMY-UHFFFAOYSA-N 2 0 393.289 0.831 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cc[nH]n2)[C@@H](O)OC(C)(C)C)C1 ZINC001175762211 1205740965 /nfs/dbraw/zinc/74/09/65/1205740965.db2.gz QIMDXQZJMQBGQJ-AHMROAQXSA-N 2 0 397.520 0.248 20 0 GCADRP CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001176738934 1205752646 /nfs/dbraw/zinc/75/26/46/1205752646.db2.gz VDQVYFARTLPUHH-ZDUSSCGKSA-N 2 0 379.465 0.636 20 0 GCADRP Cn1cnc2c1[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N(C(=O)c1ccccc1)CC2 ZINC001176757146 1205754084 /nfs/dbraw/zinc/75/40/84/1205754084.db2.gz SWXGGICQPYOWEJ-KRWDZBQOSA-N 2 0 397.483 0.621 20 0 GCADRP Cn1cnc2c1[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])N(C(=O)c1ccccc1)CC2 ZINC001176757147 1205754141 /nfs/dbraw/zinc/75/41/41/1205754141.db2.gz SWXGGICQPYOWEJ-QGZVFWFLSA-N 2 0 397.483 0.621 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNC(=O)c1cnccc1C(F)(F)F ZINC001177755296 1205776581 /nfs/dbraw/zinc/77/65/81/1205776581.db2.gz CVIWCWUPZTWVMA-UHFFFAOYSA-N 2 0 388.394 0.894 20 0 GCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@@H](CO)Cc3c[nH]cn3)CC2)CC1 ZINC001179015238 1205799588 /nfs/dbraw/zinc/79/95/88/1205799588.db2.gz URLCZAMBBMIOFU-QGZVFWFLSA-N 2 0 377.489 0.152 20 0 GCADRP CCOC(=O)CN(CC[NH3+])C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179014973 1205799610 /nfs/dbraw/zinc/79/96/10/1205799610.db2.gz PWFLYJGLNXTPCV-UHFFFAOYSA-N 2 0 382.505 0.060 20 0 GCADRP CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCC[NH2+]CCO)C2)CC1 ZINC001179379125 1205809416 /nfs/dbraw/zinc/80/94/16/1205809416.db2.gz GHTYWJBYGGPMPR-MRXNPFEDSA-N 2 0 398.548 0.796 20 0 GCADRP CC(C)[C@H](O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001179607725 1205812428 /nfs/dbraw/zinc/81/24/28/1205812428.db2.gz XIHWPCFADAOQFK-WELJMZOKSA-N 2 0 389.537 0.299 20 0 GCADRP CC(C)[NH+]1CCN(CC(=O)n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001180350665 1205822005 /nfs/dbraw/zinc/82/20/05/1205822005.db2.gz DCWOTVDEHKEWHA-UHFFFAOYSA-N 2 0 384.322 0.776 20 0 GCADRP CC(C)[NH+]1CCN(CC(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)CC1 ZINC001180351377 1205822377 /nfs/dbraw/zinc/82/23/77/1205822377.db2.gz ZZKCCHXDKQNVLY-UHFFFAOYSA-N 2 0 388.516 0.776 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001180387465 1205823409 /nfs/dbraw/zinc/82/34/09/1205823409.db2.gz IBABWCHEZTVYOW-KRWDZBQOSA-N 2 0 378.521 0.695 20 0 GCADRP CC[NH+](CC)CC(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001180391545 1205823567 /nfs/dbraw/zinc/82/35/67/1205823567.db2.gz YSFPJHJYBYNINO-UHFFFAOYSA-N 2 0 398.489 0.107 20 0 GCADRP CO[C@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181459755 1205844283 /nfs/dbraw/zinc/84/42/83/1205844283.db2.gz HPLXJXQZIBMPKF-VNMRFUOBSA-N 2 0 375.510 0.317 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001181904684 1205851911 /nfs/dbraw/zinc/85/19/11/1205851911.db2.gz OMXHIPPGOLMSLZ-JWCZRKTKSA-N 2 0 399.532 0.651 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001181975274 1205853332 /nfs/dbraw/zinc/85/33/32/1205853332.db2.gz BNDMWUAQYZPDBG-SFHVURJKSA-N 2 0 393.576 0.414 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC(F)F)[C@H](O)OC(C)(C)C)C1 ZINC001182967290 1205884310 /nfs/dbraw/zinc/88/43/10/1205884310.db2.gz QQXSTULAENWFCT-PVIIJVKYSA-N 2 0 381.464 0.937 20 0 GCADRP CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)[NH+](C)C ZINC001183359956 1205891346 /nfs/dbraw/zinc/89/13/46/1205891346.db2.gz KZFPPZDKOMLSMJ-QGZVFWFLSA-N 2 0 381.565 0.269 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CC[C@H](CO)CC1)CC2 ZINC001184752625 1205913230 /nfs/dbraw/zinc/91/32/30/1205913230.db2.gz VQIXMXSTSXRQCK-IYARVYRRSA-N 2 0 394.560 0.482 20 0 GCADRP COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001186708175 1205945867 /nfs/dbraw/zinc/94/58/67/1205945867.db2.gz YSUARBBOJAHRNN-HNNXBMFYSA-N 2 0 391.472 0.128 20 0 GCADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001186904994 1205951300 /nfs/dbraw/zinc/95/13/00/1205951300.db2.gz GFHVGXIRUYWZSX-QGZVFWFLSA-N 2 0 385.468 0.686 20 0 GCADRP COc1ccc(CN2C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC2=O)c(OC)c1 ZINC001186968448 1205953367 /nfs/dbraw/zinc/95/33/67/1205953367.db2.gz MHFMKDGMHKCYNC-CQSZACIVSA-N 2 0 391.472 0.513 20 0 GCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2ccccc2CN2CCOCC2)O1 ZINC001187449608 1205962782 /nfs/dbraw/zinc/96/27/82/1205962782.db2.gz INMMYVCVYIKWEL-QWFCFKBJSA-N 2 0 377.485 0.973 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001187971359 1205972855 /nfs/dbraw/zinc/97/28/55/1205972855.db2.gz KELKSJYOYXNYOA-MWDXBVQZSA-N 2 0 386.562 0.141 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(N2CCOCC2)nc1 ZINC001189387775 1206003510 /nfs/dbraw/zinc/00/35/10/1206003510.db2.gz OCENPHSRFYVFRY-UHFFFAOYSA-N 2 0 378.521 0.659 20 0 GCADRP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)C1 ZINC001110416911 1206015417 /nfs/dbraw/zinc/01/54/17/1206015417.db2.gz BBBHBFLBKRMUMJ-BDXSIMOUSA-N 2 0 376.505 0.501 20 0 GCADRP Cn1nnc2c1CCN(c1ncc3c(n1)C[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716573 720181574 /nfs/dbraw/zinc/18/15/74/720181574.db2.gz HXTKCOSJTVOFCO-QGZVFWFLSA-N 2 0 384.488 0.425 20 0 GCADRP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745809 720769125 /nfs/dbraw/zinc/76/91/25/720769125.db2.gz VWPROYGSYWMZFD-DOTOQJQBSA-N 2 0 397.483 0.739 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@H]2C1 ZINC001164846338 720833102 /nfs/dbraw/zinc/83/31/02/720833102.db2.gz DOBPGNWRWSYZBH-BBRMVZONSA-N 2 0 381.908 0.949 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@H]2C1 ZINC001164857389 720868491 /nfs/dbraw/zinc/86/84/91/720868491.db2.gz QRPMCTAAMLNSNU-PKOBYXMFSA-N 2 0 375.517 0.665 20 0 GCADRP Cc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1C1C[NH2+]C1 ZINC001164754526 720971248 /nfs/dbraw/zinc/97/12/48/720971248.db2.gz SZXGJWQQXPZVDW-UHFFFAOYSA-N 2 0 385.472 0.314 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc4c(nn3)CC[NH2+]C4)CC2)C1 ZINC001164875278 721279478 /nfs/dbraw/zinc/27/94/78/721279478.db2.gz UVOYCBRFVMGEGW-UHFFFAOYSA-N 2 0 388.516 0.129 20 0 GCADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889745 721391901 /nfs/dbraw/zinc/39/19/01/721391901.db2.gz MAAUJZRDXAFCHD-NQIIRXRSSA-N 2 0 386.544 0.888 20 0 GCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(C4CC[NH2+]CC4)n2)CC3)CC1 ZINC001164798460 721516344 /nfs/dbraw/zinc/51/63/44/721516344.db2.gz UTEVUZQEQZKGIP-UHFFFAOYSA-N 2 0 396.543 0.908 20 0 GCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821599302 945736687 /nfs/dbraw/zinc/73/66/87/945736687.db2.gz OADMITQIWJAKFF-UHFFFAOYSA-N 2 0 386.504 0.765 20 0 GCADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)cn2)CC1 ZINC000821628572 945755128 /nfs/dbraw/zinc/75/51/28/945755128.db2.gz LOJUGCJBUNCADZ-GOSISDBHSA-N 2 0 394.483 0.837 20 0 GCADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571281417 945803834 /nfs/dbraw/zinc/80/38/34/945803834.db2.gz IGRZDOAJARDHLQ-DOTOQJQBSA-N 2 0 387.488 0.524 20 0 GCADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001573773482 948985853 /nfs/dbraw/zinc/98/58/53/948985853.db2.gz CHBNCGFKPMBUDW-MRXNPFEDSA-N 2 0 387.488 0.308 20 0 GCADRP CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCC1 ZINC001573774798 949020333 /nfs/dbraw/zinc/02/03/33/949020333.db2.gz WLRKPJYRDIOYAU-INIZCTEOSA-N 2 0 387.488 0.308 20 0 GCADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574931039 949111829 /nfs/dbraw/zinc/11/18/29/949111829.db2.gz MSTNDISIORZPBO-CQSZACIVSA-N 2 0 387.488 0.572 20 0 GCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575252903 949176312 /nfs/dbraw/zinc/17/63/12/949176312.db2.gz IHGJSGNIASITPX-GFCCVEGCSA-N 2 0 387.513 0.961 20 0 GCADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574706456 949455381 /nfs/dbraw/zinc/45/53/81/949455381.db2.gz YKXUJVKMGXDCGD-LBPRGKRZSA-N 2 0 375.502 0.961 20 0 GCADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574712166 949571395 /nfs/dbraw/zinc/57/13/95/949571395.db2.gz PTYWTJBYPSQJMQ-SWLSCSKDSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575283016 949857431 /nfs/dbraw/zinc/85/74/31/949857431.db2.gz MLYZVDCVTBXXGZ-OLZOCXBDSA-N 2 0 388.476 0.100 20 0 GCADRP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574726281 949935667 /nfs/dbraw/zinc/93/56/67/949935667.db2.gz HTGRJZYLONRZQJ-CYBMUJFWSA-N 2 0 388.476 0.053 20 0 GCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576184575 950132136 /nfs/dbraw/zinc/13/21/36/950132136.db2.gz VYEWVQCPYXTNNK-GJZGRUSLSA-N 2 0 386.504 0.920 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192111 950227741 /nfs/dbraw/zinc/22/77/41/950227741.db2.gz JUJAXDLPWJGWQT-GOEBONIOSA-N 2 0 387.488 0.117 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193288 950291929 /nfs/dbraw/zinc/29/19/29/950291929.db2.gz SCWIHEWAASTYMW-DYVFJYSZSA-N 2 0 384.488 0.674 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576194237 950332348 /nfs/dbraw/zinc/33/23/48/950332348.db2.gz YAKILJGJCBAQFR-WMLDXEAASA-N 2 0 387.488 0.117 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576196985 950377201 /nfs/dbraw/zinc/37/72/01/950377201.db2.gz LAFXLJTZFQCEDS-AWEZNQCLSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576197398 950391358 /nfs/dbraw/zinc/39/13/58/950391358.db2.gz MZUOBHHWPVHILT-CJNGLKHVSA-N 2 0 384.488 0.674 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576197397 950391973 /nfs/dbraw/zinc/39/19/73/950391973.db2.gz MZUOBHHWPVHILT-BBRMVZONSA-N 2 0 384.488 0.674 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197454 950396217 /nfs/dbraw/zinc/39/62/17/950396217.db2.gz OKFPQQZKPXMDBS-LSDHHAIUSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198014 950404916 /nfs/dbraw/zinc/40/49/16/950404916.db2.gz RBHCXAYRMXWYQE-HUUCEWRRSA-N 2 0 384.488 0.888 20 0 GCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576204885 950481493 /nfs/dbraw/zinc/48/14/93/950481493.db2.gz DFZKOAFHOOBPSZ-QWHCGFSZSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207435 950595361 /nfs/dbraw/zinc/59/53/61/950595361.db2.gz HWKVEQHWAXJIFD-CHWSQXEVSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576207727 950602406 /nfs/dbraw/zinc/60/24/06/950602406.db2.gz IXHGZZYPESUENJ-CYBMUJFWSA-N 2 0 375.452 0.896 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208367 950608558 /nfs/dbraw/zinc/60/85/58/950608558.db2.gz OOUJLSGQWGPPSL-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001576213476 950628518 /nfs/dbraw/zinc/62/85/18/950628518.db2.gz ASCNIFBKNGDXQO-CKNFYHOISA-N 2 0 381.484 0.755 20 0 GCADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576227607 950914355 /nfs/dbraw/zinc/91/43/55/950914355.db2.gz GNKFEQVWRSLBGA-ZFWWWQNUSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576227604 950916808 /nfs/dbraw/zinc/91/68/08/950916808.db2.gz GNKFEQVWRSLBGA-UKRRQHHQSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082184 951730410 /nfs/dbraw/zinc/73/04/10/951730410.db2.gz VJEJXIYPEOAMRA-ZDUSSCGKSA-N 2 0 387.463 0.944 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089066 951746412 /nfs/dbraw/zinc/74/64/12/951746412.db2.gz CYGDKXSYRKDIRP-IUODEOHRSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575144761 952170925 /nfs/dbraw/zinc/17/09/25/952170925.db2.gz LCXJSUSJLJABQX-CQSZACIVSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575145014 952177594 /nfs/dbraw/zinc/17/75/94/952177594.db2.gz OEUJNPPKWMVAPR-OLZOCXBDSA-N 2 0 381.444 0.402 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120503 952505260 /nfs/dbraw/zinc/50/52/60/952505260.db2.gz MLULHSPJZXVFOB-QWHCGFSZSA-N 2 0 375.502 0.961 20 0 GCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571212298 953086740 /nfs/dbraw/zinc/08/67/40/953086740.db2.gz KZUQHMYZLIOIBW-WTTBNOFXSA-N 2 0 382.472 0.685 20 0 GCADRP C[C@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001571250653 953312123 /nfs/dbraw/zinc/31/21/23/953312123.db2.gz RSAIPGNTDDCCIN-CABCVRRESA-N 2 0 384.488 0.961 20 0 GCADRP CC(C)(C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001571251098 953314973 /nfs/dbraw/zinc/31/49/73/953314973.db2.gz VXTAGIKUYZHFJK-HDJSIYSDSA-N 2 0 384.488 0.865 20 0 GCADRP Cc1cc(NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252651 953331148 /nfs/dbraw/zinc/33/11/48/953331148.db2.gz SKUUGQCVQMQHGW-UKRRQHHQSA-N 2 0 384.488 0.594 20 0 GCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252705 953331592 /nfs/dbraw/zinc/33/15/92/953331592.db2.gz URFGFTGZKGCJRJ-GJZGRUSLSA-N 2 0 384.488 0.818 20 0 GCADRP Cn1ncc(Br)c1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000637634512 530121048 /nfs/dbraw/zinc/12/10/48/530121048.db2.gz ORAJENBMPAVCSE-UHFFFAOYSA-N 2 0 375.315 0.817 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000561256528 530275516 /nfs/dbraw/zinc/27/55/16/530275516.db2.gz DKBIZILLEVYCER-UHFFFAOYSA-N 2 0 383.290 0.427 20 0 GCADRP C[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000642909206 530265181 /nfs/dbraw/zinc/26/51/81/530265181.db2.gz IJLRJEWHTZILPH-LBPRGKRZSA-N 2 0 385.306 0.803 20 0 GCADRP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000497903453 530394660 /nfs/dbraw/zinc/39/46/60/530394660.db2.gz MRHTUFPWSZRLCQ-MRXNPFEDSA-N 2 0 385.555 0.978 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000330691151 530523633 /nfs/dbraw/zinc/52/36/33/530523633.db2.gz YWHAIFQWGZZGFS-MRXNPFEDSA-N 2 0 376.567 0.690 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000331058724 530537274 /nfs/dbraw/zinc/53/72/74/530537274.db2.gz RQHOGGJVBVBFQM-UHFFFAOYSA-N 2 0 375.926 0.964 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000525884789 530568510 /nfs/dbraw/zinc/56/85/10/530568510.db2.gz ZLQBWFHRYIRFEN-UHFFFAOYSA-N 2 0 375.470 0.430 20 0 GCADRP O=c1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc2ccc(Br)cn12 ZINC000326310929 530575825 /nfs/dbraw/zinc/57/58/25/530575825.db2.gz LHLBQHWSJUOHAY-HNNXBMFYSA-N 2 0 392.301 0.937 20 0 GCADRP COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000327754624 530578146 /nfs/dbraw/zinc/57/81/46/530578146.db2.gz HBSXUDYKNNGZBF-CVEARBPZSA-N 2 0 375.535 0.616 20 0 GCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000477588594 530745440 /nfs/dbraw/zinc/74/54/40/530745440.db2.gz IAYUTLYPKHGMPN-MRXNPFEDSA-N 2 0 389.591 0.777 20 0 GCADRP CSCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCSC)CC1 ZINC000485425283 530798706 /nfs/dbraw/zinc/79/87/06/530798706.db2.gz BXUSBSIEQORHRM-UHFFFAOYSA-N 2 0 376.592 0.247 20 0 GCADRP CN1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@H](C[NH3+])C1 ZINC000582903922 530856128 /nfs/dbraw/zinc/85/61/28/530856128.db2.gz RMVRGFRGOQDQGJ-CHWSQXEVSA-N 2 0 395.301 0.903 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ncccc1Br ZINC000656893624 530857425 /nfs/dbraw/zinc/85/74/25/530857425.db2.gz DUVQGQXECICKIT-UHFFFAOYSA-N 2 0 379.324 0.958 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCC(OC)CC1 ZINC000656892110 530857654 /nfs/dbraw/zinc/85/76/54/530857654.db2.gz WZSUBROTRGOSGC-INIZCTEOSA-N 2 0 376.567 0.690 20 0 GCADRP CN(C)S(=O)(=O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000509703795 530920640 /nfs/dbraw/zinc/92/06/40/530920640.db2.gz FJZDJABNEIEHLK-UHFFFAOYSA-N 2 0 376.567 0.294 20 0 GCADRP C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000419868660 530963908 /nfs/dbraw/zinc/96/39/08/530963908.db2.gz IDWVTDYEPNHQAO-UHFFFAOYSA-N 2 0 385.306 0.675 20 0 GCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000631954673 530953344 /nfs/dbraw/zinc/95/33/44/530953344.db2.gz TXNHPPNZMIHZIQ-UONOGXRCSA-N 2 0 386.484 0.413 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(I)c1 ZINC000420450354 530967878 /nfs/dbraw/zinc/96/78/78/530967878.db2.gz GZBIRZDLPZSCCZ-UHFFFAOYSA-N 2 0 397.282 0.980 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423188403 531017211 /nfs/dbraw/zinc/01/72/11/531017211.db2.gz YYIWBBXDECAZHH-UHFFFAOYSA-N 2 0 397.317 0.771 20 0 GCADRP C[C@]([NH3+])(C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000662749824 531022507 /nfs/dbraw/zinc/02/25/07/531022507.db2.gz LWSJQAWJELJGRD-OAHLLOKOSA-N 2 0 380.246 0.894 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000543375219 531072862 /nfs/dbraw/zinc/07/28/62/531072862.db2.gz DOMRTJURLPLMMQ-INIZCTEOSA-N 2 0 376.567 0.869 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000543375224 531072987 /nfs/dbraw/zinc/07/29/87/531072987.db2.gz DOMRTJURLPLMMQ-MRXNPFEDSA-N 2 0 376.567 0.869 20 0 GCADRP CN(CCNC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000438363841 531154000 /nfs/dbraw/zinc/15/40/00/531154000.db2.gz MBRUIYHZXSVBOQ-HUUCEWRRSA-N 2 0 388.603 0.436 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000572567390 531184812 /nfs/dbraw/zinc/18/48/12/531184812.db2.gz BHVBJOAJNPYKQI-UHFFFAOYSA-N 2 0 390.937 0.570 20 0 GCADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736568816 598521724 /nfs/dbraw/zinc/52/17/24/598521724.db2.gz NOKOLWIJMPRYFG-OAHLLOKOSA-N 2 0 388.524 0.112 20 0 GCADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736768606 598522976 /nfs/dbraw/zinc/52/29/76/598522976.db2.gz GEKBSTPVHPGSMP-HNNXBMFYSA-N 2 0 397.487 0.835 20 0 GCADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000736768609 598523079 /nfs/dbraw/zinc/52/30/79/598523079.db2.gz GEKBSTPVHPGSMP-OAHLLOKOSA-N 2 0 397.487 0.835 20 0 GCADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736982535 598529762 /nfs/dbraw/zinc/52/97/62/598529762.db2.gz YQPGUGKVNBGHDC-CYBMUJFWSA-N 2 0 375.481 0.195 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736767652 598776249 /nfs/dbraw/zinc/77/62/49/598776249.db2.gz RYNCITFEXDEZQT-UHFFFAOYSA-N 2 0 381.506 0.122 20 0 GCADRP Cn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(I)n1 ZINC000906580036 639325894 /nfs/dbraw/zinc/32/58/94/639325894.db2.gz IOGAZUOXRUFMGZ-UHFFFAOYSA-N 2 0 393.273 0.590 20 0 GCADRP CCO[C@@H](CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C[NH+](C)C ZINC000921631899 640058547 /nfs/dbraw/zinc/05/85/47/640058547.db2.gz KVHSMOQPXAKHMD-HNNXBMFYSA-N 2 0 375.539 0.307 20 0 GCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863543808 641240508 /nfs/dbraw/zinc/24/05/08/641240508.db2.gz ZHLWPXSMEXSPRZ-ZDUSSCGKSA-N 2 0 393.531 0.299 20 0 GCADRP Cn1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Br)n1 ZINC000866730917 641319926 /nfs/dbraw/zinc/31/99/26/641319926.db2.gz OIQIJEDCKAMASH-UHFFFAOYSA-N 2 0 382.328 0.297 20 0 GCADRP COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588650 641359247 /nfs/dbraw/zinc/35/92/47/641359247.db2.gz GTMPJHPSGDKOLY-CHWSQXEVSA-N 2 0 389.543 0.895 20 0 GCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)C[C@H]1C[NH+](C)C ZINC000867591031 641360305 /nfs/dbraw/zinc/36/03/05/641360305.db2.gz XQLINLJAPMAYOQ-VXGBXAGGSA-N 2 0 375.926 0.677 20 0 GCADRP CC(=O)Nc1ncc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000867590971 641360405 /nfs/dbraw/zinc/36/04/05/641360405.db2.gz VHSXMJQSMMQPAK-CHWSQXEVSA-N 2 0 389.547 0.461 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2ccc(Br)cc2=O)C[C@H]1C[NH+](C)C ZINC000870016532 641432230 /nfs/dbraw/zinc/43/22/30/641432230.db2.gz NMHBRVMPMKUKRR-ZIAGYGMSSA-N 2 0 399.333 0.809 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2ncc(Cl)s2)C[C@H]1C[NH+](C)C ZINC000872976340 641498903 /nfs/dbraw/zinc/49/89/03/641498903.db2.gz CDGWJSDMCIAVHJ-VXGBXAGGSA-N 2 0 387.937 0.611 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCSC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000875082097 641537161 /nfs/dbraw/zinc/53/71/61/641537161.db2.gz CEXSNSNIXGQFAZ-VXGBXAGGSA-N 2 0 384.468 0.553 20 0 GCADRP Cn1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1I ZINC000815439573 641828157 /nfs/dbraw/zinc/82/81/57/641828157.db2.gz WBOANFWSMRHLPL-UHFFFAOYSA-N 2 0 393.273 0.590 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CCO1 ZINC000662950358 1192165924 /nfs/dbraw/zinc/16/59/24/1192165924.db2.gz GTTHAPLHESVOSO-WDSOQIARSA-N 2 0 388.512 0.336 20 0 GCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)[C@H]2C1 ZINC000893494589 1192166837 /nfs/dbraw/zinc/16/68/37/1192166837.db2.gz PMMSPNUJRFPWSY-SJORKVTESA-N 2 0 379.549 0.959 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000662965020 1192172051 /nfs/dbraw/zinc/17/20/51/1192172051.db2.gz BVLUKAIJIPSKLD-ZCNNSNEGSA-N 2 0 384.524 0.972 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000642683246 1192177393 /nfs/dbraw/zinc/17/73/93/1192177393.db2.gz KFLYYMUIFBFJPH-LPHOPBHVSA-N 2 0 388.512 0.384 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000652290561 1192179058 /nfs/dbraw/zinc/17/90/58/1192179058.db2.gz HXSXYHATFNPYRY-UHFFFAOYSA-N 2 0 376.505 0.455 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)[C@H](C[NH3+])C1 ZINC000662986037 1192179297 /nfs/dbraw/zinc/17/92/97/1192179297.db2.gz HGOWRZBIRAOEPM-AEFFLSMTSA-N 2 0 379.549 0.058 20 0 GCADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017170 1192186090 /nfs/dbraw/zinc/18/60/90/1192186090.db2.gz IRNKGYGXBPPQMU-LSDHHAIUSA-N 2 0 398.515 0.639 20 0 GCADRP COCC1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]CC1 ZINC000663020039 1192187038 /nfs/dbraw/zinc/18/70/38/1192187038.db2.gz VOUYWYSYJRKMJT-INIZCTEOSA-N 2 0 390.532 0.542 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652315928 1192187648 /nfs/dbraw/zinc/18/76/48/1192187648.db2.gz IMWFTQOMBCBMRP-IBGZPJMESA-N 2 0 389.544 0.964 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345341 1192197451 /nfs/dbraw/zinc/19/74/51/1192197451.db2.gz AIJXDRGWPSEEIH-VBQJREDUSA-N 2 0 396.513 0.491 20 0 GCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345963 1192197556 /nfs/dbraw/zinc/19/75/56/1192197556.db2.gz PZPOTCAKMHQINV-VBQJREDUSA-N 2 0 396.513 0.491 20 0 GCADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652347100 1192198194 /nfs/dbraw/zinc/19/81/94/1192198194.db2.gz RQTZVDGWJKUTQL-DAYGRLMNSA-N 2 0 383.514 0.931 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)C1 ZINC000652348152 1192199095 /nfs/dbraw/zinc/19/90/95/1192199095.db2.gz WAOWEVBHKITHIQ-KSZLIROESA-N 2 0 378.517 0.286 20 0 GCADRP CC(C)O[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000652409346 1192216244 /nfs/dbraw/zinc/21/62/44/1192216244.db2.gz OTBDDPMWDVPBQB-GOSISDBHSA-N 2 0 382.549 0.887 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000652485883 1192232075 /nfs/dbraw/zinc/23/20/75/1192232075.db2.gz MADSXHDFLHQMCR-SFHVURJKSA-N 2 0 380.533 0.502 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@@H](Cc2ccccc2)C1 ZINC000652527851 1192235912 /nfs/dbraw/zinc/23/59/12/1192235912.db2.gz BVRKJVODGDTCPO-SIKLNZKXSA-N 2 0 384.524 0.926 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000652624316 1192258134 /nfs/dbraw/zinc/25/81/34/1192258134.db2.gz GOQZAYVTABYCSH-IRXDYDNUSA-N 2 0 392.504 0.128 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cn1 ZINC000652624622 1192257585 /nfs/dbraw/zinc/25/75/85/1192257585.db2.gz LOXGJRVLIYVUHJ-MRXNPFEDSA-N 2 0 376.505 0.620 20 0 GCADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000662263539 1192272978 /nfs/dbraw/zinc/27/29/78/1192272978.db2.gz CCIUKFJRAGEGCG-SJLPKXTDSA-N 2 0 394.541 0.675 20 0 GCADRP O=C(CC[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000662309536 1192282288 /nfs/dbraw/zinc/28/22/88/1192282288.db2.gz AAQTYSVIVJEWHP-QGZVFWFLSA-N 2 0 380.514 0.715 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c2ccccc2)CC1 ZINC000636719348 1192282941 /nfs/dbraw/zinc/28/29/41/1192282941.db2.gz QJDAUZVDSRWJEI-RTBURBONSA-N 2 0 375.517 0.341 20 0 GCADRP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338929 1192285411 /nfs/dbraw/zinc/28/54/11/1192285411.db2.gz WZKOLEIXQVMNLZ-OAHLLOKOSA-N 2 0 387.536 0.983 20 0 GCADRP CCN(CC)C(=O)CN1CCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662376800 1192287455 /nfs/dbraw/zinc/28/74/55/1192287455.db2.gz RFKLZBNIXZLPKH-OAHLLOKOSA-N 2 0 376.505 0.503 20 0 GCADRP CCN(CC)C(=O)CN1CCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662376799 1192287162 /nfs/dbraw/zinc/28/71/62/1192287162.db2.gz RFKLZBNIXZLPKH-HNNXBMFYSA-N 2 0 376.505 0.503 20 0 GCADRP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001719828416 1192287579 /nfs/dbraw/zinc/28/75/79/1192287579.db2.gz UJVVJBUTBXPZIJ-BDXSIMOUSA-N 2 0 380.533 0.545 20 0 GCADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401872 1192288383 /nfs/dbraw/zinc/28/83/83/1192288383.db2.gz RUDNXUMRMFIYSE-OAHLLOKOSA-N 2 0 375.473 0.426 20 0 GCADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001719829584 1192291400 /nfs/dbraw/zinc/29/14/00/1192291400.db2.gz YDAJFWLRFGPOII-OWSLCNJRSA-N 2 0 378.517 0.155 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069923997 1192319966 /nfs/dbraw/zinc/31/99/66/1192319966.db2.gz UGBUUXYNDRVUKG-LJQANCHMSA-N 2 0 381.565 0.768 20 0 GCADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001719838297 1192323609 /nfs/dbraw/zinc/32/36/09/1192323609.db2.gz SBYLKQOTBWFXDP-MHORFTMASA-N 2 0 380.533 0.687 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000663445353 1192338682 /nfs/dbraw/zinc/33/86/82/1192338682.db2.gz OBFJPIZXNLCOJY-SFHVURJKSA-N 2 0 377.533 0.821 20 0 GCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247419344 1192408564 /nfs/dbraw/zinc/40/85/64/1192408564.db2.gz NVHQRIGDVSYAAN-BDXSIMOUSA-N 2 0 382.549 0.600 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000585775150 1192410230 /nfs/dbraw/zinc/41/02/30/1192410230.db2.gz NHYRYDKYZZMITA-SFHVURJKSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)ccn1 ZINC000652672108 1192416263 /nfs/dbraw/zinc/41/62/63/1192416263.db2.gz YWWWPFKHWVJFCQ-UHFFFAOYSA-N 2 0 377.489 0.144 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000663612628 1192417108 /nfs/dbraw/zinc/41/71/08/1192417108.db2.gz ZASLZHURKAIZHV-IBGZPJMESA-N 2 0 375.473 0.774 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1 ZINC000663722761 1192515402 /nfs/dbraw/zinc/51/54/02/1192515402.db2.gz LNSGADZGJRAGPJ-MRXNPFEDSA-N 2 0 388.516 0.571 20 0 GCADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637377032 1192519005 /nfs/dbraw/zinc/51/90/05/1192519005.db2.gz SQPNUCPWKMNNMM-XDNAFOTISA-N 2 0 395.548 0.609 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878449 1192563329 /nfs/dbraw/zinc/56/33/29/1192563329.db2.gz SJISUTZCRUVKMF-CQSZACIVSA-N 3 0 394.520 0.862 20 0 GCADRP COC[C@]1(CNC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000418635042 1192621431 /nfs/dbraw/zinc/62/14/31/1192621431.db2.gz JZTYTHOOCFLQSZ-WSTZPKSXSA-N 2 0 381.565 0.955 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500474295 1192623763 /nfs/dbraw/zinc/62/37/63/1192623763.db2.gz SFJOFQLWYOLTEA-HDICACEKSA-N 2 0 393.576 0.604 20 0 GCADRP COC[C@]1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CCC[NH2+]1 ZINC000418659214 1192624984 /nfs/dbraw/zinc/62/49/84/1192624984.db2.gz VLKYISODXBBWOD-QKNQBKEWSA-N 2 0 390.528 0.937 20 0 GCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000418669984 1192628929 /nfs/dbraw/zinc/62/89/29/1192628929.db2.gz PWGQQNSIFFQSSN-WFEDQXDTSA-N 2 0 395.548 0.120 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418753737 1192639836 /nfs/dbraw/zinc/63/98/36/1192639836.db2.gz AKRPBJLVLSHCFR-LJQANCHMSA-N 2 0 375.517 0.434 20 0 GCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418782005 1192644071 /nfs/dbraw/zinc/64/40/71/1192644071.db2.gz DDHHFBONZSJDOU-ITNKIWFMSA-N 2 0 377.533 0.779 20 0 GCADRP C[NH2+][C@H](C)CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418783613 1192644750 /nfs/dbraw/zinc/64/47/50/1192644750.db2.gz OVTXXRJANYGTGL-QGZVFWFLSA-N 2 0 375.517 0.429 20 0 GCADRP C[C@]1(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC[NH2+]C1 ZINC000418793469 1192645777 /nfs/dbraw/zinc/64/57/77/1192645777.db2.gz AGHUZXDCBNOERC-FQEVSTJZSA-N 2 0 394.560 0.891 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418795264 1192645954 /nfs/dbraw/zinc/64/59/54/1192645954.db2.gz CHKPVJNZKODDOL-MSOLQXFVSA-N 2 0 392.544 0.738 20 0 GCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418807132 1192649840 /nfs/dbraw/zinc/64/98/40/1192649840.db2.gz PJTRAZXJPLWZLK-IAGOWNOFSA-N 2 0 380.533 0.629 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418805405 1192649971 /nfs/dbraw/zinc/64/99/71/1192649971.db2.gz ZVKLELLZAGLOQU-HXUWFJFHSA-N 2 0 389.544 0.824 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418806432 1192650410 /nfs/dbraw/zinc/65/04/10/1192650410.db2.gz OHWLFVBKDQHVTN-ZWKOTPCHSA-N 2 0 394.560 0.890 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@@H]1C[NH3+] ZINC000418809383 1192651758 /nfs/dbraw/zinc/65/17/58/1192651758.db2.gz SNOSVHFRYPUJKC-ZWKOTPCHSA-N 2 0 394.560 0.971 20 0 GCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418812146 1192652369 /nfs/dbraw/zinc/65/23/69/1192652369.db2.gz WPBGDZLWXSSGBA-GOSISDBHSA-N 2 0 394.560 0.973 20 0 GCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418812147 1192652475 /nfs/dbraw/zinc/65/24/75/1192652475.db2.gz WPBGDZLWXSSGBA-SFHVURJKSA-N 2 0 394.560 0.973 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)[NH+](C)C)cc1 ZINC000418813678 1192653426 /nfs/dbraw/zinc/65/34/26/1192653426.db2.gz JDRHXCTYYPJSKF-OIISXLGYSA-N 2 0 376.501 0.943 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1OC ZINC000418836579 1192658148 /nfs/dbraw/zinc/65/81/48/1192658148.db2.gz RNFZWIDDFFZABL-LSDHHAIUSA-N 2 0 378.473 0.291 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418836567 1192658205 /nfs/dbraw/zinc/65/82/05/1192658205.db2.gz RMJJPYJKUIUPGI-ZBFHGGJFSA-N 2 0 392.500 0.539 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)[NH+](C)C)cc1OC ZINC000418831597 1192659643 /nfs/dbraw/zinc/65/96/43/1192659643.db2.gz LACDOFWYWBTXAA-AWEZNQCLSA-N 2 0 378.473 0.420 20 0 GCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418837242 1192661422 /nfs/dbraw/zinc/66/14/22/1192661422.db2.gz AAXAETADWDVFQX-GJZGRUSLSA-N 2 0 380.514 0.496 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[NH+](C)C)cc1OC ZINC000418837636 1192662127 /nfs/dbraw/zinc/66/21/27/1192662127.db2.gz TVOINOBGBUWNKO-GJZGRUSLSA-N 2 0 378.473 0.276 20 0 GCADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000418826118 1192657080 /nfs/dbraw/zinc/65/70/80/1192657080.db2.gz CGPGKXUEXVXMJP-RHSMWYFYSA-N 2 0 380.439 0.737 20 0 GCADRP CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000418842143 1192663037 /nfs/dbraw/zinc/66/30/37/1192663037.db2.gz HJHCNFFYVNTPLZ-ZWKOTPCHSA-N 2 0 376.501 0.463 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCCC1 ZINC000418840537 1192663291 /nfs/dbraw/zinc/66/32/91/1192663291.db2.gz XXUQLBAVIDXJTC-IRXDYDNUSA-N 2 0 380.533 0.722 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000418849291 1192667358 /nfs/dbraw/zinc/66/73/58/1192667358.db2.gz MLGQLXFILTVNJY-RDJZCZTQSA-N 2 0 376.501 0.920 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418865362 1192669505 /nfs/dbraw/zinc/66/95/05/1192669505.db2.gz RPGTZTVGYYASIZ-SFHVURJKSA-N 2 0 388.512 0.734 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000418854432 1192669710 /nfs/dbraw/zinc/66/97/10/1192669710.db2.gz TVZWPXZGLMEYMR-HOTGVXAUSA-N 2 0 394.541 0.823 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418862841 1192671807 /nfs/dbraw/zinc/67/18/07/1192671807.db2.gz OXMFYMCSTMMJNA-OAGGEKHMSA-N 2 0 394.541 0.966 20 0 GCADRP CCc1ccc([C@@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418863768 1192672239 /nfs/dbraw/zinc/67/22/39/1192672239.db2.gz PTIHIFQXRLMNQS-ZWKOTPCHSA-N 2 0 376.501 0.544 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418869746 1192672648 /nfs/dbraw/zinc/67/26/48/1192672648.db2.gz XHCKQYUAGRHPNA-HKUYNNGSSA-N 2 0 387.528 0.116 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)[NH+](C)C)c1 ZINC000418868380 1192672922 /nfs/dbraw/zinc/67/29/22/1192672922.db2.gz VXPBBYNULQSWMQ-KBXCAEBGSA-N 2 0 376.501 1.000 20 0 GCADRP C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000418870388 1192673717 /nfs/dbraw/zinc/67/37/17/1192673717.db2.gz UAIAEUYWWXYVIJ-AEFFLSMTSA-N 2 0 388.512 0.871 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418884214 1192678518 /nfs/dbraw/zinc/67/85/18/1192678518.db2.gz WLNRWIQZAXVXFP-QZTJIDSGSA-N 2 0 376.501 0.503 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000418883890 1192679009 /nfs/dbraw/zinc/67/90/09/1192679009.db2.gz VUMYTBASSUYGOG-RTBURBONSA-N 2 0 388.512 0.470 20 0 GCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)([NH+](C)C)C1 ZINC000418927553 1192694185 /nfs/dbraw/zinc/69/41/85/1192694185.db2.gz VRAMANLFQUEXRB-OXQOHEQNSA-N 2 0 382.549 0.970 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000418932043 1192694435 /nfs/dbraw/zinc/69/44/35/1192694435.db2.gz HKJLNNPOHLVVPE-SFHVURJKSA-N 2 0 388.512 0.781 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)ccn1 ZINC000418948570 1192699053 /nfs/dbraw/zinc/69/90/53/1192699053.db2.gz CMHNESPWQBTTNE-MRXNPFEDSA-N 2 0 391.516 0.533 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccn1 ZINC000418947643 1192699148 /nfs/dbraw/zinc/69/91/48/1192699148.db2.gz BEYDUEREEPYAMN-KRWDZBQOSA-N 2 0 391.516 0.662 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418959364 1192699877 /nfs/dbraw/zinc/69/98/77/1192699877.db2.gz ZSOXCCQIZYTKHR-FGTMMUONSA-N 2 0 394.560 0.765 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000418952804 1192700434 /nfs/dbraw/zinc/70/04/34/1192700434.db2.gz KQOFFLRZGXEHRH-RTBURBONSA-N 2 0 394.560 0.909 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000418953922 1192701319 /nfs/dbraw/zinc/70/13/19/1192701319.db2.gz MLDIOBIYUHRCOZ-IXDOHACOSA-N 2 0 380.533 0.375 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCCC1 ZINC000418956945 1192701905 /nfs/dbraw/zinc/70/19/05/1192701905.db2.gz SZNXOGCPJOZPBT-OTWHNJEPSA-N 2 0 394.560 0.894 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418960958 1192702215 /nfs/dbraw/zinc/70/22/15/1192702215.db2.gz JJFDJIMADNZEOC-CGTJXYLNSA-N 2 0 376.501 0.588 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)[NH2+]1 ZINC000418962601 1192703035 /nfs/dbraw/zinc/70/30/35/1192703035.db2.gz KUBIPDKGMGTPAV-IAGOWNOFSA-N 2 0 388.512 0.986 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000419003628 1192714717 /nfs/dbraw/zinc/71/47/17/1192714717.db2.gz DHVCONLKSHUTJJ-RTBURBONSA-N 2 0 388.512 0.863 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419020419 1192722089 /nfs/dbraw/zinc/72/20/89/1192722089.db2.gz FSRXAIGBVHUXRO-VYDXJSESSA-N 2 0 391.520 0.137 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000419012760 1192717731 /nfs/dbraw/zinc/71/77/31/1192717731.db2.gz XMHYJMPZPJTRMA-QGZVFWFLSA-N 2 0 394.903 0.525 20 0 GCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419032084 1192731431 /nfs/dbraw/zinc/73/14/31/1192731431.db2.gz VYNRFFWJGGIZTA-IXDOHACOSA-N 2 0 382.549 0.825 20 0 GCADRP CN(CC[NH3+])C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000419038740 1192735844 /nfs/dbraw/zinc/73/58/44/1192735844.db2.gz GFXMHXBTNRCNHK-UHFFFAOYSA-N 2 0 376.501 0.591 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000419037587 1192735881 /nfs/dbraw/zinc/73/58/81/1192735881.db2.gz ISEOBXFLURUZNI-KSZLIROESA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410591554 1192736137 /nfs/dbraw/zinc/73/61/37/1192736137.db2.gz WDWLTHVPHJOFDX-FGTMMUONSA-N 2 0 378.517 0.252 20 0 GCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419039012 1192736838 /nfs/dbraw/zinc/73/68/38/1192736838.db2.gz GPLJDEGOULUJFI-SFHVURJKSA-N 2 0 388.512 0.734 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000419041110 1192739666 /nfs/dbraw/zinc/73/96/66/1192739666.db2.gz NFXYJAUJWAERQJ-VSZNYVQBSA-N 2 0 382.549 0.873 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419044845 1192741884 /nfs/dbraw/zinc/74/18/84/1192741884.db2.gz MNKJGHDUANZYAU-NXWXRZEISA-N 2 0 388.512 0.903 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419056199 1192752778 /nfs/dbraw/zinc/75/27/78/1192752778.db2.gz KVAXPTKIRZSJJC-CEXWTWQISA-N 2 0 388.512 0.460 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419062815 1192759031 /nfs/dbraw/zinc/75/90/31/1192759031.db2.gz HDXQPTWAWOHTMK-HLLBOEOZSA-N 2 0 376.501 0.807 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000237831728 1192765743 /nfs/dbraw/zinc/76/57/43/1192765743.db2.gz JYVWASZKBGQGQQ-UHFFFAOYSA-N 2 0 375.517 0.950 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCC1 ZINC000500789426 1192786317 /nfs/dbraw/zinc/78/63/17/1192786317.db2.gz CZWKLTLBSFISMC-UHFFFAOYSA-N 2 0 388.516 0.050 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419102342 1192786424 /nfs/dbraw/zinc/78/64/24/1192786424.db2.gz FBFUBGSOTUHEIW-MLGOLLRUSA-N 2 0 380.464 0.733 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000500783554 1192786774 /nfs/dbraw/zinc/78/67/74/1192786774.db2.gz VMUCMMSYCMVLTQ-UHFFFAOYSA-N 2 0 393.576 0.604 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000500784274 1192787318 /nfs/dbraw/zinc/78/73/18/1192787318.db2.gz YUCWTOVFUHIDPP-QZTJIDSGSA-N 2 0 386.500 0.514 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000500783975 1192787658 /nfs/dbraw/zinc/78/76/58/1192787658.db2.gz XPCZGIAZBQDXKQ-IAGOWNOFSA-N 2 0 380.533 0.471 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419104207 1192791842 /nfs/dbraw/zinc/79/18/42/1192791842.db2.gz ACHBRUVBIQCXRH-KRWDZBQOSA-N 2 0 388.516 0.050 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000419120602 1192793550 /nfs/dbraw/zinc/79/35/50/1192793550.db2.gz CNFBBDBXKIXZAM-ROUUACIJSA-N 2 0 375.517 0.191 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000419121750 1192794674 /nfs/dbraw/zinc/79/46/74/1192794674.db2.gz VIXRXROUODZVTC-DLBZAZTESA-N 2 0 388.516 0.083 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419125047 1192796589 /nfs/dbraw/zinc/79/65/89/1192796589.db2.gz YSIGBSJVWGWXOJ-HOCLYGCPSA-N 2 0 389.500 0.917 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)N1CC[NH+](C)CC1 ZINC000419127670 1192797746 /nfs/dbraw/zinc/79/77/46/1192797746.db2.gz RWDDQICCXOGQLZ-QZTJIDSGSA-N 2 0 381.565 0.398 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419132273 1192806194 /nfs/dbraw/zinc/80/61/94/1192806194.db2.gz DWEUPWOSKJTOEY-NVXWUHKLSA-N 2 0 376.501 0.829 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000419134649 1192807594 /nfs/dbraw/zinc/80/75/94/1192807594.db2.gz KLUHHZKBIYIHET-LJQANCHMSA-N 2 0 388.512 0.877 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000419141094 1192813298 /nfs/dbraw/zinc/81/32/98/1192813298.db2.gz AOSPKRDWECWZJN-QRQLOZEOSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000419141090 1192813349 /nfs/dbraw/zinc/81/33/49/1192813349.db2.gz AOSPKRDWECWZJN-NEWSRXKRSA-N 2 0 394.560 0.968 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419145770 1192815506 /nfs/dbraw/zinc/81/55/06/1192815506.db2.gz HTQKHPDFKDNVNR-MRXNPFEDSA-N 2 0 376.501 0.831 20 0 GCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419146001 1192815533 /nfs/dbraw/zinc/81/55/33/1192815533.db2.gz HCWZKWZDFRVBDL-LJQANCHMSA-N 2 0 387.528 0.270 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419159517 1192817727 /nfs/dbraw/zinc/81/77/27/1192817727.db2.gz ZKISHVOVYJYFAH-RYQLBKOJSA-N 2 0 388.512 0.748 20 0 GCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419166579 1192822160 /nfs/dbraw/zinc/82/21/60/1192822160.db2.gz HMINNAYVKIXZKO-SJORKVTESA-N 2 0 395.548 0.071 20 0 GCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419167226 1192823491 /nfs/dbraw/zinc/82/34/91/1192823491.db2.gz IFMGXXTWNLIYFP-XUVXKRRUSA-N 2 0 384.524 0.735 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419156412 1192823922 /nfs/dbraw/zinc/82/39/22/1192823922.db2.gz VCCSPDYCNAMCGO-KSZLIROESA-N 2 0 388.512 0.829 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419156028 1192824628 /nfs/dbraw/zinc/82/46/28/1192824628.db2.gz BRGPQQCOOFVHKN-MOPGFXCFSA-N 2 0 390.528 0.835 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H](C)C[NH2+]1 ZINC000419172324 1192825410 /nfs/dbraw/zinc/82/54/10/1192825410.db2.gz YXUMGLOSRFJFJF-ZHALLVOQSA-N 2 0 388.512 0.603 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000419177691 1192829285 /nfs/dbraw/zinc/82/92/85/1192829285.db2.gz FBQIEZVVHUHVKJ-OKZBNKHCSA-N 2 0 380.533 0.864 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168821 1192830431 /nfs/dbraw/zinc/83/04/31/1192830431.db2.gz TUOMQLXVEAAEHJ-NEWSRXKRSA-N 2 0 388.512 0.589 20 0 GCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000419192544 1192830901 /nfs/dbraw/zinc/83/09/01/1192830901.db2.gz PCIBTJFVKHUNGG-LJQANCHMSA-N 2 0 388.512 0.652 20 0 GCADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000419193746 1192832331 /nfs/dbraw/zinc/83/23/31/1192832331.db2.gz RCQGEKHHRMHPSU-UHFFFAOYSA-N 2 0 376.501 0.314 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000419194786 1192832776 /nfs/dbraw/zinc/83/27/76/1192832776.db2.gz UEBJMAJARUQCEF-LPHOPBHVSA-N 2 0 388.512 0.782 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000419181455 1192833453 /nfs/dbraw/zinc/83/34/53/1192833453.db2.gz BJAOZWJFPUJPQD-KRWDZBQOSA-N 2 0 378.448 0.092 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000419185463 1192835470 /nfs/dbraw/zinc/83/54/70/1192835470.db2.gz DKCNCXKVILWWNT-FUHWJXTLSA-N 2 0 376.501 0.508 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000419198366 1192836426 /nfs/dbraw/zinc/83/64/26/1192836426.db2.gz CHOPTEKNOGQYIU-KHYOSLBOSA-N 2 0 388.512 0.766 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000419198361 1192836576 /nfs/dbraw/zinc/83/65/76/1192836576.db2.gz CGWYJIKVEUYYOG-HNNXBMFYSA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000419200450 1192839904 /nfs/dbraw/zinc/83/99/04/1192839904.db2.gz FICCEHSMLVAZNX-MRXNPFEDSA-N 2 0 376.501 0.831 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H]1C[NH3+] ZINC000419199775 1192841620 /nfs/dbraw/zinc/84/16/20/1192841620.db2.gz CYIKZWVCHWHCNO-NVXWUHKLSA-N 2 0 388.516 0.035 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419201771 1192842697 /nfs/dbraw/zinc/84/26/97/1192842697.db2.gz GJPVAZRBBWEBQF-BXWFABGCSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000419202255 1192842759 /nfs/dbraw/zinc/84/27/59/1192842759.db2.gz GSOCSAKYVNHHEO-MDZRGWNJSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419201776 1192842809 /nfs/dbraw/zinc/84/28/09/1192842809.db2.gz GJPVAZRBBWEBQF-TXPKVOOTSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419205573 1192851543 /nfs/dbraw/zinc/85/15/43/1192851543.db2.gz JGUMATPUNZCJSF-SZMVWBNQSA-N 2 0 388.512 0.996 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419207766 1192879172 /nfs/dbraw/zinc/87/91/72/1192879172.db2.gz PTFCMTJHWOFKRV-KRWDZBQOSA-N 2 0 390.532 0.281 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419209345 1192887750 /nfs/dbraw/zinc/88/77/50/1192887750.db2.gz PEDCIJPYQYVQGX-GBESFXJTSA-N 2 0 388.512 0.732 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549823197 1192892440 /nfs/dbraw/zinc/89/24/40/1192892440.db2.gz DDIFVMZZCDKWPM-MSOLQXFVSA-N 2 0 380.533 0.687 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)ccn2)CC1 ZINC000419211270 1192896408 /nfs/dbraw/zinc/89/64/08/1192896408.db2.gz WTSXFLKICMFBHS-KRWDZBQOSA-N 2 0 388.516 0.083 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419211917 1192900515 /nfs/dbraw/zinc/90/05/15/1192900515.db2.gz YOFBXXZUXBNSEB-DOTOQJQBSA-N 2 0 388.516 0.178 20 0 GCADRP C[NH+](C)C1(CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CCCCC1 ZINC000512560554 1192903883 /nfs/dbraw/zinc/90/38/83/1192903883.db2.gz RLNBNXIRGKSJFD-UHFFFAOYSA-N 2 0 383.581 0.940 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000410802880 1192904055 /nfs/dbraw/zinc/90/40/55/1192904055.db2.gz SKNPIIDXQZFEEW-KRWDZBQOSA-N 2 0 382.549 0.624 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)C[C@@H](C)O1 ZINC000419214984 1192915243 /nfs/dbraw/zinc/91/52/43/1192915243.db2.gz NNGIXTQZNCBNHI-GPMSIDNRSA-N 2 0 388.512 0.719 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000410949459 1192919337 /nfs/dbraw/zinc/91/93/37/1192919337.db2.gz WKYZMLYQVBXSKR-UHOSZYNNSA-N 2 0 392.544 0.783 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000410991171 1192923051 /nfs/dbraw/zinc/92/30/51/1192923051.db2.gz USUUQQGREKGENT-KZNAEPCWSA-N 2 0 380.533 0.498 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419222543 1192924788 /nfs/dbraw/zinc/92/47/88/1192924788.db2.gz XMSWAVHMEBJBPX-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP Cc1csc([C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2CC2)n1 ZINC000579697458 1184095008 /nfs/dbraw/zinc/09/50/08/1184095008.db2.gz UXZCYGVGTFMFLB-OAHLLOKOSA-N 2 0 381.546 0.971 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000579725928 1184114873 /nfs/dbraw/zinc/11/48/73/1184114873.db2.gz SRTVJNXXJJBTFS-UHFFFAOYSA-N 2 0 379.505 0.241 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C[C@@H](C)O1 ZINC000643543482 1184140797 /nfs/dbraw/zinc/14/07/97/1184140797.db2.gz MUOYGRWWHFDYOK-RWQQGDIJSA-N 2 0 392.544 0.402 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)CC1 ZINC000643544094 1184153344 /nfs/dbraw/zinc/15/33/44/1184153344.db2.gz HEZRWXHGPFDRFO-IEBWSBKVSA-N 2 0 391.560 0.214 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000605246357 1184154766 /nfs/dbraw/zinc/15/47/66/1184154766.db2.gz XWEFFQAOYJHENN-UHFFFAOYSA-N 2 0 394.541 0.868 20 0 GCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H](C[NH3+])C1 ZINC000642683275 1184186578 /nfs/dbraw/zinc/18/65/78/1184186578.db2.gz NINCRLWKIYEYNN-SFHVURJKSA-N 2 0 391.491 0.008 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000274694457 1184189022 /nfs/dbraw/zinc/18/90/22/1184189022.db2.gz WCSJPRLZTCUGRA-UHFFFAOYSA-N 2 0 377.533 0.418 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)O1 ZINC000616385805 1184204525 /nfs/dbraw/zinc/20/45/25/1184204525.db2.gz IFPNQZHVXALCPU-TVFCKZIOSA-N 2 0 380.533 0.639 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C[NH+](C)C)C3)cn2)CC1 ZINC000117031142 1184238301 /nfs/dbraw/zinc/23/83/01/1184238301.db2.gz QFTPVFUMKCFRCI-SFHVURJKSA-N 2 0 390.532 0.696 20 0 GCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418839131 1184258865 /nfs/dbraw/zinc/25/88/65/1184258865.db2.gz DBUQYGCHSAMXQN-OALUTQOASA-N 2 0 387.528 0.307 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418835851 1184259255 /nfs/dbraw/zinc/25/92/55/1184259255.db2.gz QCKFFYRNGFLIDA-XHSDSOJGSA-N 2 0 392.500 0.809 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000471170023 1184328655 /nfs/dbraw/zinc/32/86/55/1184328655.db2.gz RCXPGZJQZFAIBC-UHFFFAOYSA-N 2 0 390.528 0.998 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001719576246 1184385980 /nfs/dbraw/zinc/38/59/80/1184385980.db2.gz LGQULJYLBYYSGL-ZJPYXAASSA-N 2 0 376.545 0.975 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000579883224 1184500004 /nfs/dbraw/zinc/50/00/04/1184500004.db2.gz VLEUNFVAOGXBBX-OWYHZJEWSA-N 2 0 392.544 0.423 20 0 GCADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+](C2CC2)C1 ZINC000655557011 1184574669 /nfs/dbraw/zinc/57/46/69/1184574669.db2.gz ATLWMNBHXWWJNO-ROUUACIJSA-N 2 0 379.549 0.519 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000275380236 1184643814 /nfs/dbraw/zinc/64/38/14/1184643814.db2.gz ASVUZVKYNNLJHP-QGZVFWFLSA-N 2 0 389.500 0.185 20 0 GCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000579933621 1184755530 /nfs/dbraw/zinc/75/55/30/1184755530.db2.gz LXOQQYNGVBGJSG-NVXWUHKLSA-N 2 0 375.517 0.333 20 0 GCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627422020 1184767843 /nfs/dbraw/zinc/76/78/43/1184767843.db2.gz ZGHJGLPQBSQBLE-ABXWRUBCSA-N 2 0 378.439 0.961 20 0 GCADRP O=C(c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1)N1CCNC(=O)C1 ZINC000655693951 1184780287 /nfs/dbraw/zinc/78/02/87/1184780287.db2.gz BGSPURCTTPVUKW-IBGZPJMESA-N 2 0 386.496 0.602 20 0 GCADRP CCCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647060483 1184801716 /nfs/dbraw/zinc/80/17/16/1184801716.db2.gz AXZDYTXPGGMNOL-SFHVURJKSA-N 2 0 382.549 0.935 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCN1c1cc[nH+]cc1 ZINC000890986587 1184804023 /nfs/dbraw/zinc/80/40/23/1184804023.db2.gz KSIRAPDWTSCTNQ-HNNXBMFYSA-N 2 0 385.472 0.516 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@H+](C)C1 ZINC000413393514 1184815386 /nfs/dbraw/zinc/81/53/86/1184815386.db2.gz LBHDKAZELOJQFS-OIISXLGYSA-N 2 0 382.505 0.110 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000642732977 1184818484 /nfs/dbraw/zinc/81/84/84/1184818484.db2.gz LYILJHAKHKMXAZ-QYZOEREBSA-N 2 0 387.528 0.477 20 0 GCADRP CC(C)OCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143378931 1184820272 /nfs/dbraw/zinc/82/02/72/1184820272.db2.gz HDUAHEKTQOYHKJ-OIDVLUPKSA-N 2 0 389.537 0.707 20 0 GCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000648149321 1184848526 /nfs/dbraw/zinc/84/85/26/1184848526.db2.gz NYIPOMAEUJLLDG-OKZBNKHCSA-N 2 0 385.574 0.980 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642744075 1184852663 /nfs/dbraw/zinc/85/26/63/1184852663.db2.gz XXTDXLNRDGQDNR-QWFCFKBJSA-N 2 0 399.539 0.524 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000275645178 1184854257 /nfs/dbraw/zinc/85/42/57/1184854257.db2.gz FKGRULBQDUCBIE-UHFFFAOYSA-N 2 0 399.499 0.690 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000579980255 1184877317 /nfs/dbraw/zinc/87/73/17/1184877317.db2.gz QQJZHQXXRXHUFQ-IAGOWNOFSA-N 2 0 395.548 0.069 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000579996608 1184895461 /nfs/dbraw/zinc/89/54/61/1184895461.db2.gz FBNFITLDXVRAOV-NEPXVJNWSA-N 2 0 394.560 0.717 20 0 GCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1(C)C ZINC000275717667 1184960992 /nfs/dbraw/zinc/96/09/92/1184960992.db2.gz VOGNAKNRTOEHOG-OXJNMPFZSA-N 2 0 375.517 0.982 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000656083321 1185020701 /nfs/dbraw/zinc/02/07/01/1185020701.db2.gz GNWRNMHBZGKHJZ-SFHVURJKSA-N 2 0 394.560 0.890 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580172932 1185105022 /nfs/dbraw/zinc/10/50/22/1185105022.db2.gz MQMONIICODGBLH-RBUKOAKNSA-N 2 0 375.517 0.480 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580173951 1185105105 /nfs/dbraw/zinc/10/51/05/1185105105.db2.gz DNNVOUQQHKMSIL-MOPGFXCFSA-N 2 0 389.544 0.581 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580196339 1185114366 /nfs/dbraw/zinc/11/43/66/1185114366.db2.gz GJCQYIJWKBKPOO-JZXOWHBKSA-N 2 0 376.501 0.636 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000580245844 1185127504 /nfs/dbraw/zinc/12/75/04/1185127504.db2.gz FYCZMEDTQOTAPA-QGZVFWFLSA-N 2 0 382.549 0.794 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000642786031 1185161037 /nfs/dbraw/zinc/16/10/37/1185161037.db2.gz XPZSJOGITHPOPH-RCCFBDPRSA-N 2 0 378.517 0.332 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000580354455 1185196338 /nfs/dbraw/zinc/19/63/38/1185196338.db2.gz DXLKCMMDLLLCFZ-QZTJIDSGSA-N 2 0 380.533 0.690 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000564825268 1185223716 /nfs/dbraw/zinc/22/37/16/1185223716.db2.gz YORWTIRDULNHNP-INIZCTEOSA-N 2 0 380.533 0.533 20 0 GCADRP Cc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000580466768 1185239748 /nfs/dbraw/zinc/23/97/48/1185239748.db2.gz MGEDRQHDZCVYFP-HUUCEWRRSA-N 2 0 375.473 0.711 20 0 GCADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000580722842 1185315674 /nfs/dbraw/zinc/31/56/74/1185315674.db2.gz HMFOPKADOOWIMP-UXHICEINSA-N 2 0 384.565 0.192 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656297010 1185355574 /nfs/dbraw/zinc/35/55/74/1185355574.db2.gz QLYDETCRBKXEBF-RBUKOAKNSA-N 2 0 393.576 0.653 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000656318845 1185408870 /nfs/dbraw/zinc/40/88/70/1185408870.db2.gz UOXCPRLLDZNPOS-UHFFFAOYSA-N 2 0 381.565 0.461 20 0 GCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891349399 1185442782 /nfs/dbraw/zinc/44/27/82/1185442782.db2.gz UFJWXNIGNLBPSE-OTWHNJEPSA-N 2 0 399.495 0.621 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000656356881 1185457807 /nfs/dbraw/zinc/45/78/07/1185457807.db2.gz HUZHPNAHEBGSSR-QRVBRYPASA-N 2 0 392.544 0.690 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656357589 1185459459 /nfs/dbraw/zinc/45/94/59/1185459459.db2.gz ZOLOSOBLRYEAPV-MSOLQXFVSA-N 2 0 379.549 0.215 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000581000821 1185469021 /nfs/dbraw/zinc/46/90/21/1185469021.db2.gz SMLVMZLFTBRYQC-FQEVSTJZSA-N 2 0 388.560 0.608 20 0 GCADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1NC(C)=O ZINC000581050406 1185479256 /nfs/dbraw/zinc/47/92/56/1185479256.db2.gz NEVAGNMXDAPOEW-UHFFFAOYSA-N 2 0 393.488 0.544 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000276028559 1185500920 /nfs/dbraw/zinc/50/09/20/1185500920.db2.gz OCDYPEAUYJLGBB-INIZCTEOSA-N 2 0 377.489 0.903 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419421371 1185505933 /nfs/dbraw/zinc/50/59/33/1185505933.db2.gz OXPJIKIXFKCJBH-SFHVURJKSA-N 2 0 375.517 0.159 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000581211036 1185531216 /nfs/dbraw/zinc/53/12/16/1185531216.db2.gz DYKJHHZBUUVTHD-ZWKOTPCHSA-N 2 0 382.549 0.936 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000581261334 1185560828 /nfs/dbraw/zinc/56/08/28/1185560828.db2.gz KBIXXUKOBXASCT-GBESFXJTSA-N 2 0 387.528 0.893 20 0 GCADRP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430554774 1185583884 /nfs/dbraw/zinc/58/38/84/1185583884.db2.gz RJGKQIWUJSTRST-MRXNPFEDSA-N 2 0 392.500 0.782 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581313512 1185586008 /nfs/dbraw/zinc/58/60/08/1185586008.db2.gz IRMHWWRZWMJFCU-BHYGNILZSA-N 2 0 398.515 0.071 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430562671 1185606060 /nfs/dbraw/zinc/60/60/60/1185606060.db2.gz SBLMJXUJPNWZCS-GOSISDBHSA-N 2 0 396.557 0.825 20 0 GCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001104345466 1185612774 /nfs/dbraw/zinc/61/27/74/1185612774.db2.gz IHFGIGMKDUIVBU-PSBWJHGTSA-N 2 0 390.528 0.679 20 0 GCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104346784 1185618246 /nfs/dbraw/zinc/61/82/46/1185618246.db2.gz IYFABBYMQMUDDI-BRSBDYLESA-N 2 0 380.533 0.402 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430568855 1185618395 /nfs/dbraw/zinc/61/83/95/1185618395.db2.gz KVOMCQFLCCVXOV-INIZCTEOSA-N 2 0 376.505 0.344 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419516902 1185710062 /nfs/dbraw/zinc/71/00/62/1185710062.db2.gz VQDKMFSRMXZSRZ-UHFFFAOYSA-N 2 0 375.517 0.301 20 0 GCADRP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608043 1185723479 /nfs/dbraw/zinc/72/34/79/1185723479.db2.gz DIMGHDNVDFXABI-KRWDZBQOSA-N 2 0 376.501 0.701 20 0 GCADRP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610292 1185755639 /nfs/dbraw/zinc/75/56/39/1185755639.db2.gz KEUPWICKKHZIPZ-ZACQAIPSSA-N 2 0 393.532 0.535 20 0 GCADRP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430611707 1185758189 /nfs/dbraw/zinc/75/81/89/1185758189.db2.gz PPSGYXNNZZIGIA-ZIAGYGMSSA-N 2 0 378.473 0.818 20 0 GCADRP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430612947 1185764295 /nfs/dbraw/zinc/76/42/95/1185764295.db2.gz TXLCYKWEAPPYSN-SJLPKXTDSA-N 2 0 388.512 0.844 20 0 GCADRP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430612706 1185766561 /nfs/dbraw/zinc/76/65/61/1185766561.db2.gz SGZYUFXFXZISIK-QGZVFWFLSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614091 1185775509 /nfs/dbraw/zinc/77/55/09/1185775509.db2.gz YCSWVXGXUWDFLD-CABCVRRESA-N 2 0 388.468 0.886 20 0 GCADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614094 1185776207 /nfs/dbraw/zinc/77/62/07/1185776207.db2.gz YCSWVXGXUWDFLD-LSDHHAIUSA-N 2 0 388.468 0.886 20 0 GCADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619891 1185793002 /nfs/dbraw/zinc/79/30/02/1185793002.db2.gz BLXWEOQUYSAVFY-DZGCQCFKSA-N 2 0 375.473 0.160 20 0 GCADRP O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000430620714 1185795610 /nfs/dbraw/zinc/79/56/10/1185795610.db2.gz BNANDJURKRLTNY-MRXNPFEDSA-N 2 0 387.484 0.869 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000430620688 1185796879 /nfs/dbraw/zinc/79/68/79/1185796879.db2.gz COLSEDINKHJCEU-ZWKOTPCHSA-N 2 0 386.496 0.250 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000430621793 1185797494 /nfs/dbraw/zinc/79/74/94/1185797494.db2.gz KEMQXTVIWPNIOB-HUUCEWRRSA-N 2 0 390.450 0.931 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000430625358 1185808777 /nfs/dbraw/zinc/80/87/77/1185808777.db2.gz KKUIDMIDGBZAQU-KURKYZTESA-N 2 0 378.517 0.300 20 0 GCADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430625926 1185809403 /nfs/dbraw/zinc/80/94/03/1185809403.db2.gz KEXSRURXOJRDHW-GOEBONIOSA-N 2 0 375.473 0.188 20 0 GCADRP [NH3+]CC1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000430627501 1185811914 /nfs/dbraw/zinc/81/19/14/1185811914.db2.gz NLNWTTOUFBWMRM-UHFFFAOYSA-N 2 0 383.514 0.757 20 0 GCADRP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430631378 1185819899 /nfs/dbraw/zinc/81/98/99/1185819899.db2.gz BDYYQHBPUSYKJU-HNNXBMFYSA-N 2 0 398.529 0.103 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430631564 1185820732 /nfs/dbraw/zinc/82/07/32/1185820732.db2.gz UWCOUSPGCGCIHW-MRXNPFEDSA-N 2 0 375.473 0.189 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000430634477 1185825376 /nfs/dbraw/zinc/82/53/76/1185825376.db2.gz RXCBGSHWFKQUNL-MRXNPFEDSA-N 3 0 393.557 0.179 20 0 GCADRP COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430637051 1185832128 /nfs/dbraw/zinc/83/21/28/1185832128.db2.gz APLNYFHSVXHAHH-INIZCTEOSA-N 2 0 392.500 0.149 20 0 GCADRP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637594 1185840041 /nfs/dbraw/zinc/84/00/41/1185840041.db2.gz CSCQXPFLKFFHPC-JKSUJKDBSA-N 2 0 378.542 0.939 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000581689488 1185847899 /nfs/dbraw/zinc/84/78/99/1185847899.db2.gz SXGSPKRIILPBGQ-OALUTQOASA-N 2 0 394.560 0.861 20 0 GCADRP Cc1ccc(SCCNC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643327 1185855496 /nfs/dbraw/zinc/85/54/96/1185855496.db2.gz XFIVDNDSYZGSDE-MRXNPFEDSA-N 2 0 378.542 0.990 20 0 GCADRP C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430644414 1185857731 /nfs/dbraw/zinc/85/77/31/1185857731.db2.gz NHJJCHBXEDBGGA-UHFFFAOYSA-N 2 0 387.484 0.506 20 0 GCADRP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430648128 1185865343 /nfs/dbraw/zinc/86/53/43/1185865343.db2.gz YZQIPURJVQLUOI-UONOGXRCSA-N 2 0 382.455 0.799 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000581741673 1185875457 /nfs/dbraw/zinc/87/54/57/1185875457.db2.gz PEZAVGAOHWITJP-UHFFFAOYSA-N 2 0 391.516 0.486 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430656270 1185892477 /nfs/dbraw/zinc/89/24/77/1185892477.db2.gz SUVBWVQHJJNQBS-OAHLLOKOSA-N 2 0 380.464 0.498 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCC[NH+]1CCC(O)CC1 ZINC000891540120 1185911851 /nfs/dbraw/zinc/91/18/51/1185911851.db2.gz IEPSJELQOBUBOP-UHFFFAOYSA-N 2 0 389.544 0.560 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891578907 1185925180 /nfs/dbraw/zinc/92/51/80/1185925180.db2.gz COFAWAPZNNRCSR-HZMVEIRTSA-N 2 0 379.505 0.827 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000130624862 1185931247 /nfs/dbraw/zinc/93/12/47/1185931247.db2.gz XGXKFNCDCDTFAQ-UHFFFAOYSA-N 2 0 386.500 0.822 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430669115 1185942584 /nfs/dbraw/zinc/94/25/84/1185942584.db2.gz SKDDQQDHZBNFFX-OAHLLOKOSA-N 2 0 398.454 0.734 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891670072 1185963675 /nfs/dbraw/zinc/96/36/75/1185963675.db2.gz NISFWHYVANVISW-TWMKSMIVSA-N 2 0 379.505 0.541 20 0 GCADRP CC[NH+]1C[C@H](C)N(C(=O)COCC(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000581967564 1186013279 /nfs/dbraw/zinc/01/32/79/1186013279.db2.gz XGHISZHKPBKCJQ-XLAORIBOSA-N 2 0 382.549 0.885 20 0 GCADRP C[C@@H](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000891776115 1186025386 /nfs/dbraw/zinc/02/53/86/1186025386.db2.gz GXMADTCEVSHDND-NXOAAHMSSA-N 2 0 379.505 0.827 20 0 GCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430935639 1186058021 /nfs/dbraw/zinc/05/80/21/1186058021.db2.gz UUGABKHJTCEOQC-UONOGXRCSA-N 2 0 382.530 0.440 20 0 GCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000430959037 1186067718 /nfs/dbraw/zinc/06/77/18/1186067718.db2.gz VSAKEVUYDXUQAF-INIZCTEOSA-N 2 0 388.512 0.834 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)NCC[NH+]3CCC(O)CC3)ccn2)CC1 ZINC000891829846 1186069732 /nfs/dbraw/zinc/06/97/32/1186069732.db2.gz KOXQUZLBYKAYOO-UHFFFAOYSA-N 2 0 376.505 0.089 20 0 GCADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c3ccccc3)C1)c(=O)n2C ZINC000410074547 1186097758 /nfs/dbraw/zinc/09/77/58/1186097758.db2.gz LVBUHYZEGOTEEP-SJORKVTESA-N 2 0 396.495 0.498 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857425 1186099886 /nfs/dbraw/zinc/09/98/86/1186099886.db2.gz AZOGCDZMCZDVHG-VQHPVUNQSA-N 2 0 377.489 0.580 20 0 GCADRP COCC[C@]1(C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CC[NH2+]C1 ZINC000431017591 1186104434 /nfs/dbraw/zinc/10/44/34/1186104434.db2.gz RLUORAPBHPDKAD-AZUAARDMSA-N 2 0 382.549 0.256 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276840318 1186115212 /nfs/dbraw/zinc/11/52/12/1186115212.db2.gz IRNHMDLHMNNNMS-WBVHZDCISA-N 2 0 376.505 0.480 20 0 GCADRP O=C(NCCCCC[NH+]1CCCC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891917794 1186158933 /nfs/dbraw/zinc/15/89/33/1186158933.db2.gz IADNAMAQLFJZTC-BBWFWOEESA-N 2 0 379.505 0.829 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000563092777 1186223064 /nfs/dbraw/zinc/22/30/64/1186223064.db2.gz KRQRZGBILBIOSM-IRXDYDNUSA-N 2 0 377.537 0.648 20 0 GCADRP Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001707912823 1186268905 /nfs/dbraw/zinc/26/89/05/1186268905.db2.gz HPDFDHOYYQOUDD-QGZVFWFLSA-N 2 0 392.548 0.856 20 0 GCADRP O=C1CC[NH+](CC2(C[N@@H+]3CCCCCNC(=O)CC3)COC2)CCCCCN1 ZINC000934154379 1186315391 /nfs/dbraw/zinc/31/53/91/1186315391.db2.gz BVAVFPFZIMJMTJ-UHFFFAOYSA-N 2 0 394.560 0.987 20 0 GCADRP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892107505 1186344969 /nfs/dbraw/zinc/34/49/69/1186344969.db2.gz GWOJLIPXNGUZTQ-MRXNPFEDSA-N 2 0 385.434 0.968 20 0 GCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C2 ZINC000892109018 1186345809 /nfs/dbraw/zinc/34/58/09/1186345809.db2.gz YEQMWTWZONYOFW-LBPRGKRZSA-N 2 0 392.451 0.506 20 0 GCADRP COCC1(CNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC[NH2+]CC1 ZINC000892112181 1186346846 /nfs/dbraw/zinc/34/68/46/1186346846.db2.gz ICIBWSHRHDWOQW-UHFFFAOYSA-N 2 0 395.548 0.518 20 0 GCADRP CN1CCN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC[N@H+](C)CC1 ZINC000892125978 1186358136 /nfs/dbraw/zinc/35/81/36/1186358136.db2.gz SOLWIGYQWGZPOU-UHFFFAOYSA-N 2 0 389.544 0.908 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000582195540 1186460393 /nfs/dbraw/zinc/46/03/93/1186460393.db2.gz HNYGUTXRDHYRLU-MSOLQXFVSA-N 2 0 381.565 0.367 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000582203708 1186463229 /nfs/dbraw/zinc/46/32/29/1186463229.db2.gz QCCZDIGNWWEFFJ-GUDVDZBRSA-N 2 0 392.544 0.567 20 0 GCADRP Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657371288 1186470147 /nfs/dbraw/zinc/47/01/47/1186470147.db2.gz ILHIBMZZXSYOTI-UHFFFAOYSA-N 2 0 397.479 0.763 20 0 GCADRP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(F)c1 ZINC000892226086 1186471053 /nfs/dbraw/zinc/47/10/53/1186471053.db2.gz VRFNPYJUXDVQBI-SFHVURJKSA-N 2 0 393.507 0.880 20 0 GCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582252697 1186478477 /nfs/dbraw/zinc/47/84/77/1186478477.db2.gz OVUYVUIKQHYVKV-IAGOWNOFSA-N 2 0 386.500 0.523 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000582263771 1186479060 /nfs/dbraw/zinc/47/90/60/1186479060.db2.gz IPPJFSZVZNZQNV-SZMVWBNQSA-N 2 0 380.533 0.281 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000125159902 1186545049 /nfs/dbraw/zinc/54/50/49/1186545049.db2.gz UNAQQCTWNOZATK-GOSISDBHSA-N 2 0 386.500 0.672 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000582532498 1186558759 /nfs/dbraw/zinc/55/87/59/1186558759.db2.gz HVCJFYBKLQPXID-UHFFFAOYSA-N 3 0 381.565 0.415 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000888980447 1186567779 /nfs/dbraw/zinc/56/77/79/1186567779.db2.gz BZLHPUHJDWFVNM-WOJBJXKFSA-N 2 0 390.576 0.940 20 0 GCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667000 1186603710 /nfs/dbraw/zinc/60/37/10/1186603710.db2.gz QJUQVADEPMEKAT-HAGHYFMRSA-N 2 0 387.528 0.137 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000582701993 1186616781 /nfs/dbraw/zinc/61/67/81/1186616781.db2.gz WTXWPGQABFZAHM-JKSUJKDBSA-N 2 0 390.532 1.467 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000582716014 1186623383 /nfs/dbraw/zinc/62/33/83/1186623383.db2.gz UTFKWYBLHZQGCW-GVDBMIGSSA-N 2 0 378.517 0.333 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000582716013 1186623409 /nfs/dbraw/zinc/62/34/09/1186623409.db2.gz UTFKWYBLHZQGCW-BRWVUGGUSA-N 2 0 378.517 0.333 20 0 GCADRP NC(=O)c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000892287148 1186623687 /nfs/dbraw/zinc/62/36/87/1186623687.db2.gz WFZTWRKJVIXLKJ-IRXDYDNUSA-N 2 0 399.543 0.925 20 0 GCADRP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000118122900 1186630458 /nfs/dbraw/zinc/63/04/58/1186630458.db2.gz FHIOITNTXHFBGR-UHFFFAOYSA-N 2 0 375.517 0.829 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)NCc2cccc(CN3CCOCC3)c2)CC1 ZINC000077781151 1186654796 /nfs/dbraw/zinc/65/47/96/1186654796.db2.gz GKHHCJRBXMXUCF-UHFFFAOYSA-N 2 0 376.501 0.775 20 0 GCADRP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000582771284 1186665732 /nfs/dbraw/zinc/66/57/32/1186665732.db2.gz BVIALCLEQSJMAR-MSOLQXFVSA-N 2 0 378.517 0.254 20 0 GCADRP C[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccccc2)(N2CCOCC2)CC1 ZINC000583376832 1186672182 /nfs/dbraw/zinc/67/21/82/1186672182.db2.gz IDROIRHNEDJWLU-UHFFFAOYSA-N 2 0 381.542 0.847 20 0 GCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)cc2)CC1 ZINC000582788649 1186673207 /nfs/dbraw/zinc/67/32/07/1186673207.db2.gz KGVDWDCPOXPPPM-HXUWFJFHSA-N 2 0 397.527 0.962 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668652317 1186727939 /nfs/dbraw/zinc/72/79/39/1186727939.db2.gz UIYUYQYYHCRLTE-RYRKJORJSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668652315 1186728324 /nfs/dbraw/zinc/72/83/24/1186728324.db2.gz UIYUYQYYHCRLTE-JFIYKMOQSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000079007058 1186738385 /nfs/dbraw/zinc/73/83/85/1186738385.db2.gz OHNPPGFXZHGPPX-INIZCTEOSA-N 2 0 375.517 0.481 20 0 GCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)CCC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000583036006 1186753850 /nfs/dbraw/zinc/75/38/50/1186753850.db2.gz VEKWWQUKFFICGK-MOPGFXCFSA-N 2 0 385.512 0.359 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000153871413 1186772172 /nfs/dbraw/zinc/77/21/72/1186772172.db2.gz XTWZYNJBYQYUFO-INIZCTEOSA-N 2 0 376.505 0.718 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000583134014 1186779497 /nfs/dbraw/zinc/77/94/97/1186779497.db2.gz KBFPUCIQWALHTM-ZIFCJYIRSA-N 2 0 387.528 0.300 20 0 GCADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583142704 1186780095 /nfs/dbraw/zinc/78/00/95/1186780095.db2.gz IYACVLRGIULPJC-SJLPKXTDSA-N 2 0 378.517 0.300 20 0 GCADRP C[C@@H](C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)S(C)(=O)=O ZINC000583199443 1186793681 /nfs/dbraw/zinc/79/36/81/1186793681.db2.gz OUZKYVGDETULAR-LSDHHAIUSA-N 2 0 383.518 0.305 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000583207121 1186797675 /nfs/dbraw/zinc/79/76/75/1186797675.db2.gz MSGUHFBFSDEYCF-UXHICEINSA-N 2 0 382.512 0.307 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000124623158 1186799294 /nfs/dbraw/zinc/79/92/94/1186799294.db2.gz WRSLOBAYEFKYJS-HNNXBMFYSA-N 2 0 377.489 0.198 20 0 GCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)CC1 ZINC000583257552 1186809620 /nfs/dbraw/zinc/80/96/20/1186809620.db2.gz YHLQVFDOTSWTEC-MSOLQXFVSA-N 2 0 379.549 0.058 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000583281574 1186816501 /nfs/dbraw/zinc/81/65/01/1186816501.db2.gz OXIHOIOXZLFGCK-KRWDZBQOSA-N 2 0 379.549 0.214 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000583460163 1186862042 /nfs/dbraw/zinc/86/20/42/1186862042.db2.gz OTSATLIXMVOVSO-UHFFFAOYSA-N 2 0 395.592 0.709 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000472293057 1186889240 /nfs/dbraw/zinc/88/92/40/1186889240.db2.gz NBTDXPZPJCLQDF-SFHVURJKSA-N 2 0 380.533 0.500 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)CC1=O ZINC000888990832 1186894485 /nfs/dbraw/zinc/89/44/85/1186894485.db2.gz FXXIRGZUCMPJRO-ZWKOTPCHSA-N 2 0 379.549 0.025 20 0 GCADRP O=C(COCC(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000329383244 1186927947 /nfs/dbraw/zinc/92/79/47/1186927947.db2.gz OMBZBSVWNRGRRK-UHFFFAOYSA-N 2 0 378.517 0.396 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458662824 1186930437 /nfs/dbraw/zinc/93/04/37/1186930437.db2.gz UTRRYTWTJICZHQ-UXHICEINSA-N 2 0 390.528 0.899 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458662826 1186930486 /nfs/dbraw/zinc/93/04/86/1186930486.db2.gz UTRRYTWTJICZHQ-WOJBJXKFSA-N 2 0 390.528 0.899 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000583775902 1186937231 /nfs/dbraw/zinc/93/72/31/1186937231.db2.gz IZYFMNWRFMCXDE-QGZVFWFLSA-N 2 0 382.549 0.840 20 0 GCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000130785611 1186946554 /nfs/dbraw/zinc/94/65/54/1186946554.db2.gz FDYUJSBLJFYHTM-INIZCTEOSA-N 2 0 375.517 0.747 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000278543373 1186973750 /nfs/dbraw/zinc/97/37/50/1186973750.db2.gz CUOVDWUZPHKNCT-HNNXBMFYSA-N 2 0 390.492 0.506 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005912 1186978958 /nfs/dbraw/zinc/97/89/58/1186978958.db2.gz OSISKPVTTLEBLE-YQQAZPJKSA-N 2 0 391.541 0.914 20 0 GCADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458767590 1186982084 /nfs/dbraw/zinc/98/20/84/1186982084.db2.gz DCUGJKPTVSSOQZ-QGZVFWFLSA-N 2 0 379.505 0.668 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000584039212 1186987757 /nfs/dbraw/zinc/98/77/57/1186987757.db2.gz JSFOSSBSMZLPRQ-UHFFFAOYSA-N 2 0 382.549 0.888 20 0 GCADRP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)cn2)[C@H](C)C1 ZINC000685273058 1187008958 /nfs/dbraw/zinc/00/89/58/1187008958.db2.gz FKUHFMQIWONCJQ-BDXSIMOUSA-N 2 0 392.548 0.259 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000584195165 1187013634 /nfs/dbraw/zinc/01/36/34/1187013634.db2.gz OZEMQAKVAAGMMD-ROUUACIJSA-N 2 0 394.560 0.719 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000584219783 1187017564 /nfs/dbraw/zinc/01/75/64/1187017564.db2.gz GKAUVBGMDMBMCK-UHFFFAOYSA-N 2 0 387.528 0.878 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000127465378 1187019706 /nfs/dbraw/zinc/01/97/06/1187019706.db2.gz SLCJSVDOTDPPRR-INIZCTEOSA-N 2 0 376.505 0.718 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC1 ZINC000584277683 1187024793 /nfs/dbraw/zinc/02/47/93/1187024793.db2.gz BSIIMFFJFSSJHP-ZSYWTGECSA-N 2 0 391.560 0.166 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000584424702 1187058038 /nfs/dbraw/zinc/05/80/38/1187058038.db2.gz OKDZOLIHSZPYRT-SFHVURJKSA-N 2 0 395.592 0.613 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685304088 1187059490 /nfs/dbraw/zinc/05/94/90/1187059490.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 2 0 391.560 0.212 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1COc2ccccc21 ZINC000685405409 1187123451 /nfs/dbraw/zinc/12/34/51/1187123451.db2.gz WLAYCTBJZAOXDB-WBVHZDCISA-N 2 0 376.501 0.619 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443950 1187129397 /nfs/dbraw/zinc/12/93/97/1187129397.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 2 0 391.560 0.380 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443948 1187129509 /nfs/dbraw/zinc/12/95/09/1187129509.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 2 0 391.560 0.380 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000685519815 1187141650 /nfs/dbraw/zinc/14/16/50/1187141650.db2.gz XNKKSEBLGWOAIQ-IBGZPJMESA-N 2 0 391.560 0.215 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685520416 1187143324 /nfs/dbraw/zinc/14/33/24/1187143324.db2.gz VLYYSVMEFHLMPW-ROUUACIJSA-N 2 0 394.560 0.794 20 0 GCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)C1 ZINC000658400337 1187284064 /nfs/dbraw/zinc/28/40/64/1187284064.db2.gz FIJNRWDZLHFYRN-OAQYLSRUSA-N 2 0 392.544 0.502 20 0 GCADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CCO1 ZINC000179448816 1187323112 /nfs/dbraw/zinc/32/31/12/1187323112.db2.gz ULVVCRDDYQRUSQ-SFHVURJKSA-N 2 0 394.560 0.938 20 0 GCADRP Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)CC2)c1 ZINC000658714678 1187423071 /nfs/dbraw/zinc/42/30/71/1187423071.db2.gz GGRWIXDJSKBQMO-OAQYLSRUSA-N 2 0 385.512 0.983 20 0 GCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892477466 1187428264 /nfs/dbraw/zinc/42/82/64/1187428264.db2.gz CGXJAZBZDXZOFK-QZTJIDSGSA-N 2 0 381.565 0.860 20 0 GCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000569795852 1187452372 /nfs/dbraw/zinc/45/23/72/1187452372.db2.gz XMNMZCDSZVVKFZ-GOSISDBHSA-N 2 0 375.517 0.246 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC000472429582 1187486613 /nfs/dbraw/zinc/48/66/13/1187486613.db2.gz WLKSANDMQKYFBF-MSOLQXFVSA-N 2 0 394.560 0.671 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445251 1187492917 /nfs/dbraw/zinc/49/29/17/1187492917.db2.gz WVDIMHVDEVVTHM-QGZVFWFLSA-N 3 0 381.565 0.461 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000612484362 1187505622 /nfs/dbraw/zinc/50/56/22/1187505622.db2.gz GMGLFSYQFLZDAW-QGZVFWFLSA-N 2 0 382.549 0.528 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612484489 1187505683 /nfs/dbraw/zinc/50/56/83/1187505683.db2.gz AZUDJXDVESHMPN-KURKYZTESA-N 2 0 382.549 0.839 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000413786554 1187509991 /nfs/dbraw/zinc/50/99/91/1187509991.db2.gz QPEOXKXPKNMZGR-SBHAEUEKSA-N 2 0 390.528 0.889 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000612544541 1187521884 /nfs/dbraw/zinc/52/18/84/1187521884.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 2 0 379.549 0.214 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612591197 1187537280 /nfs/dbraw/zinc/53/72/80/1187537280.db2.gz HUUNJKZLXDHQGO-KRWDZBQOSA-N 2 0 380.533 0.689 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597775 1187537475 /nfs/dbraw/zinc/53/74/75/1187537475.db2.gz NAGZHZCTBZKZHI-RYQLBKOJSA-N 2 0 378.517 0.299 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612600699 1187540121 /nfs/dbraw/zinc/54/01/21/1187540121.db2.gz KVKQQQNGQHHTSH-SFHVURJKSA-N 2 0 387.484 0.100 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000612601708 1187540243 /nfs/dbraw/zinc/54/02/43/1187540243.db2.gz SYVVAAZNKFXNCZ-ROUUACIJSA-N 2 0 378.517 0.443 20 0 GCADRP CCN(CCOCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000413845040 1187543784 /nfs/dbraw/zinc/54/37/84/1187543784.db2.gz JMIFPWRWSIKPQS-BSDSXHPESA-N 2 0 382.549 0.363 20 0 GCADRP COC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](C)C1 ZINC000413901530 1187573300 /nfs/dbraw/zinc/57/33/00/1187573300.db2.gz MIFXYHUEFHPRLY-SFHVURJKSA-N 2 0 388.512 0.762 20 0 GCADRP C[NH+]1CCC(NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000612863055 1187607383 /nfs/dbraw/zinc/60/73/83/1187607383.db2.gz OLBUCPNFVVTRLH-HNNXBMFYSA-N 2 0 375.521 0.803 20 0 GCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876644 1187609799 /nfs/dbraw/zinc/60/97/99/1187609799.db2.gz MNEPPKKHGWZNLO-CVEARBPZSA-N 2 0 375.521 0.803 20 0 GCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612922337 1187620214 /nfs/dbraw/zinc/62/02/14/1187620214.db2.gz FXELKUFSKFGSQM-OAGGEKHMSA-N 2 0 375.521 0.706 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000247023767 1187623261 /nfs/dbraw/zinc/62/32/61/1187623261.db2.gz QLAIGGZQIFHEGJ-ZWKOTPCHSA-N 2 0 379.549 0.912 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612968573 1187628491 /nfs/dbraw/zinc/62/84/91/1187628491.db2.gz BKLFGJAIZKBSJC-QGZVFWFLSA-N 2 0 387.532 0.820 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612974529 1187628886 /nfs/dbraw/zinc/62/88/86/1187628886.db2.gz HXMLWFSTSDMJJH-ROUUACIJSA-N 2 0 387.528 0.717 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000892522614 1187669665 /nfs/dbraw/zinc/66/96/65/1187669665.db2.gz HSKMZZZSMVUAKC-UHFFFAOYSA-N 3 0 388.520 0.361 20 0 GCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000892586396 1187796608 /nfs/dbraw/zinc/79/66/08/1187796608.db2.gz RZGLVCBDBSKLKB-QZCUMHFISA-N 2 0 377.489 0.484 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)CC2)C1 ZINC000658977841 1187829605 /nfs/dbraw/zinc/82/96/05/1187829605.db2.gz KQKUBECAQBLERY-MOPGFXCFSA-N 2 0 391.560 0.312 20 0 GCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000580073926 1187840457 /nfs/dbraw/zinc/84/04/57/1187840457.db2.gz YZPMEGSLDBWJIW-SJORKVTESA-N 2 0 399.561 0.578 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659112753 1187889447 /nfs/dbraw/zinc/88/94/47/1187889447.db2.gz KYJRQMSMDFVNRE-WBVHZDCISA-N 2 0 384.484 0.993 20 0 GCADRP CCCN(C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568941 1187894600 /nfs/dbraw/zinc/89/46/00/1187894600.db2.gz XQLZGNNHSGJYCC-SFHVURJKSA-N 2 0 381.565 0.414 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000659345056 1187945136 /nfs/dbraw/zinc/94/51/36/1187945136.db2.gz VRMHIKUHLRQYKK-MJGOQNOKSA-N 2 0 393.576 0.602 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000659345084 1187945178 /nfs/dbraw/zinc/94/51/78/1187945178.db2.gz YNZPOWLQCRQITN-RTBURBONSA-N 2 0 393.576 0.556 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659345105 1187945606 /nfs/dbraw/zinc/94/56/06/1187945606.db2.gz ZKYNLWOWIZWBFH-LJQANCHMSA-N 2 0 393.576 0.558 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659456773 1187960930 /nfs/dbraw/zinc/96/09/30/1187960930.db2.gz SFEOXTMQCKFJNG-UXHICEINSA-N 2 0 393.576 0.814 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000659513458 1187967215 /nfs/dbraw/zinc/96/72/15/1187967215.db2.gz YDFVFQDSZZUXQU-JQHSSLGASA-N 2 0 378.517 0.251 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659588896 1187974284 /nfs/dbraw/zinc/97/42/84/1187974284.db2.gz JRGZQPUGLSVLON-KBAYOESNSA-N 2 0 391.491 0.768 20 0 GCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659608311 1187976106 /nfs/dbraw/zinc/97/61/06/1187976106.db2.gz MPPWWEPLDLHOBR-IRXDYDNUSA-N 2 0 381.521 0.269 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659678981 1187992582 /nfs/dbraw/zinc/99/25/82/1187992582.db2.gz BJBVNDYAIRZTPP-SPUZQDLCSA-N 2 0 380.533 0.456 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659680452 1187993411 /nfs/dbraw/zinc/99/34/11/1187993411.db2.gz NGFUOKNMYWUNOA-RTBURBONSA-N 2 0 394.560 0.698 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659685387 1187996257 /nfs/dbraw/zinc/99/62/57/1187996257.db2.gz QVMDUEGXBZCOMD-QZTJIDSGSA-N 2 0 390.528 0.835 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000659688569 1187997481 /nfs/dbraw/zinc/99/74/81/1187997481.db2.gz BIQDNVUGKWKCGY-GOSISDBHSA-N 2 0 393.576 0.367 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000659688561 1187997601 /nfs/dbraw/zinc/99/76/01/1187997601.db2.gz AYPORILWQPSHTL-WBVHZDCISA-N 2 0 388.516 0.035 20 0 GCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)C1 ZINC000659688193 1187998165 /nfs/dbraw/zinc/99/81/65/1187998165.db2.gz UKEGERZEPGSSPK-HXUWFJFHSA-N 2 0 378.517 0.111 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659688029 1187998222 /nfs/dbraw/zinc/99/82/22/1187998222.db2.gz SXWKMAQMXMZYLZ-UHFFFAOYSA-N 2 0 395.548 0.117 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000659682256 1187998778 /nfs/dbraw/zinc/99/87/78/1187998778.db2.gz IGTGCMIQMCKLML-ZJPYXAASSA-N 2 0 382.549 0.825 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000659706182 1188002396 /nfs/dbraw/zinc/00/23/96/1188002396.db2.gz FVCPHFCQSCJBQU-BBRMVZONSA-N 2 0 398.467 0.036 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699126 1188004291 /nfs/dbraw/zinc/00/42/91/1188004291.db2.gz QDBCRZLDXZVRBF-LJQANCHMSA-N 2 0 393.576 0.368 20 0 GCADRP CC[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659729933 1188015322 /nfs/dbraw/zinc/01/53/22/1188015322.db2.gz QOUQFHVIORMKBZ-MOPGFXCFSA-N 2 0 387.528 0.996 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000415306363 1188027613 /nfs/dbraw/zinc/02/76/13/1188027613.db2.gz WLHYTZIXQKJNLF-MRXNPFEDSA-N 2 0 375.473 0.726 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415320170 1188030840 /nfs/dbraw/zinc/03/08/40/1188030840.db2.gz VNFKWDOQCFFESC-INIZCTEOSA-N 2 0 375.473 0.774 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000415334110 1188051270 /nfs/dbraw/zinc/05/12/70/1188051270.db2.gz JTPPBPQHKPAMTR-AWEZNQCLSA-N 2 0 375.473 0.644 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415335677 1188051307 /nfs/dbraw/zinc/05/13/07/1188051307.db2.gz UQOHAPYSVRRKAB-UHFFFAOYSA-N 2 0 387.528 0.675 20 0 GCADRP COc1cccc(OCCN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000584530494 1188056030 /nfs/dbraw/zinc/05/60/30/1188056030.db2.gz SSGBLQAOHGDSTE-UHFFFAOYSA-N 2 0 376.501 0.514 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415357469 1188058917 /nfs/dbraw/zinc/05/89/17/1188058917.db2.gz RYCHWCJHGBTNGG-HNNXBMFYSA-N 2 0 389.500 0.583 20 0 GCADRP C[NH2+]CCNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000415360567 1188060389 /nfs/dbraw/zinc/06/03/89/1188060389.db2.gz MIGWBPBEJMMOHQ-UHFFFAOYSA-N 2 0 375.473 0.775 20 0 GCADRP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000415376256 1188067233 /nfs/dbraw/zinc/06/72/33/1188067233.db2.gz YCRYRQMWLUALRK-HNNXBMFYSA-N 2 0 387.484 0.999 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000415390630 1188069196 /nfs/dbraw/zinc/06/91/96/1188069196.db2.gz HSNOJJOPTSMDCF-QGZVFWFLSA-N 2 0 387.528 0.878 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc2)CC1 ZINC000415409134 1188072009 /nfs/dbraw/zinc/07/20/09/1188072009.db2.gz DFBLUXKJBSEZMI-MRXNPFEDSA-N 2 0 375.517 0.734 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415460889 1188086016 /nfs/dbraw/zinc/08/60/16/1188086016.db2.gz ZFTPXLIOQVAZRR-QGZVFWFLSA-N 2 0 389.500 0.629 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@@H](C)O1 ZINC000377647160 1188095204 /nfs/dbraw/zinc/09/52/04/1188095204.db2.gz LTVIZVBNTMGVCJ-ZHALLVOQSA-N 2 0 394.560 0.744 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)[C@@H](C)C[NH2+]1 ZINC000415565971 1188106924 /nfs/dbraw/zinc/10/69/24/1188106924.db2.gz PJHIHQITXXPMMQ-OLZOCXBDSA-N 2 0 389.456 0.303 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000415561904 1188107189 /nfs/dbraw/zinc/10/71/89/1188107189.db2.gz OWHLWPDWDJZXBT-UHFFFAOYSA-N 2 0 389.500 0.694 20 0 GCADRP Cn1cc(-c2cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2)nn1 ZINC000565242356 1188115978 /nfs/dbraw/zinc/11/59/78/1188115978.db2.gz DOFCEVORORESQX-UHFFFAOYSA-N 2 0 387.488 0.372 20 0 GCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415726336 1188151711 /nfs/dbraw/zinc/15/17/11/1188151711.db2.gz OEVFSQZNIISNGV-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000415751262 1188155654 /nfs/dbraw/zinc/15/56/54/1188155654.db2.gz VVTJYVONTNWTLQ-KBPBESRZSA-N 2 0 378.448 0.773 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000415771414 1188160767 /nfs/dbraw/zinc/16/07/67/1188160767.db2.gz ROZWVALOMSHMCO-CZUORRHYSA-N 2 0 378.448 0.915 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C[C@@]1(C)C[NH3+] ZINC000415842789 1189381379 /nfs/dbraw/zinc/38/13/79/1189381379.db2.gz QTSKUBYHUFIREB-JLTOFOAXSA-N 2 0 389.500 0.936 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000415852970 1189381932 /nfs/dbraw/zinc/38/19/32/1189381932.db2.gz KWLWLFBZYBMMCY-CQSZACIVSA-N 2 0 397.907 0.239 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000415852969 1189381973 /nfs/dbraw/zinc/38/19/73/1189381973.db2.gz KWLWLFBZYBMMCY-AWEZNQCLSA-N 2 0 397.907 0.239 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C1 ZINC000415854945 1189383053 /nfs/dbraw/zinc/38/30/53/1189383053.db2.gz NTPTZJINQIAIHJ-QFBILLFUSA-N 2 0 387.528 0.877 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415855627 1189383557 /nfs/dbraw/zinc/38/35/57/1189383557.db2.gz OXOGZRKHXIWUOX-INIZCTEOSA-N 2 0 391.516 0.366 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415855628 1189383615 /nfs/dbraw/zinc/38/36/15/1189383615.db2.gz OXOGZRKHXIWUOX-MRXNPFEDSA-N 2 0 391.516 0.366 20 0 GCADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000415865600 1189388097 /nfs/dbraw/zinc/38/80/97/1189388097.db2.gz UQUCFHIUJHADOE-KRWDZBQOSA-N 2 0 382.468 1.442 20 0 GCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000415865750 1189388331 /nfs/dbraw/zinc/38/83/31/1189388331.db2.gz ZSWBUZVQOGLXQP-LJQANCHMSA-N 2 0 387.528 0.877 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415863416 1189390664 /nfs/dbraw/zinc/39/06/64/1189390664.db2.gz XGRSHLRTDTZMSQ-INIZCTEOSA-N 2 0 391.541 0.194 20 0 GCADRP [NH3+]CC1(O)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000415875927 1189392478 /nfs/dbraw/zinc/39/24/78/1189392478.db2.gz AHUWYBKLNCVZBG-UHFFFAOYSA-N 2 0 388.512 0.966 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415880416 1189395496 /nfs/dbraw/zinc/39/54/96/1189395496.db2.gz RQXYZSDJFYJTSA-WSTZPKSXSA-N 2 0 399.539 0.877 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415968193 1189410980 /nfs/dbraw/zinc/41/09/80/1189410980.db2.gz XMHSVWXAUDOZDP-YJBOKZPZSA-N 2 0 388.516 0.962 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000363806976 1189484610 /nfs/dbraw/zinc/48/46/10/1189484610.db2.gz SCDYVSCOUHITDI-SFHVURJKSA-N 2 0 393.576 0.415 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000378510888 1189524028 /nfs/dbraw/zinc/52/40/28/1189524028.db2.gz JEJBYCIGPVCVOG-MSOLQXFVSA-N 2 0 398.548 0.966 20 0 GCADRP C[C@H](O)C[NH+]1CCN(c2nccc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000893258906 1189549913 /nfs/dbraw/zinc/54/99/13/1189549913.db2.gz MCTZQDVNTOGFTO-XSLAGTTESA-N 2 0 392.548 0.259 20 0 GCADRP C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000582072551 1189571079 /nfs/dbraw/zinc/57/10/79/1189571079.db2.gz ZFGVOYOMBOONOH-GOSISDBHSA-N 2 0 389.544 0.771 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(F)c1 ZINC000416850447 1189588298 /nfs/dbraw/zinc/58/82/98/1189588298.db2.gz ZOFQRDRYFMGDCF-NVXWUHKLSA-N 2 0 379.480 0.925 20 0 GCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000584585971 1189598452 /nfs/dbraw/zinc/59/84/52/1189598452.db2.gz FXBCKLVNTXMHFA-DOTOQJQBSA-N 2 0 375.473 0.090 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCN(C)CC1 ZINC000416963614 1189600835 /nfs/dbraw/zinc/60/08/35/1189600835.db2.gz VIBIHWKXVZSLEE-ROUUACIJSA-N 2 0 396.580 0.288 20 0 GCADRP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000511594770 1189604788 /nfs/dbraw/zinc/60/47/88/1189604788.db2.gz DCMHNYUPHMLDOP-IRXDYDNUSA-N 2 0 382.549 0.839 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000416997128 1189606246 /nfs/dbraw/zinc/60/62/46/1189606246.db2.gz VKYXVVSZANWAMH-LJQANCHMSA-N 2 0 375.517 0.612 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417037019 1189611649 /nfs/dbraw/zinc/61/16/49/1189611649.db2.gz TXIBNHCBONOOHW-IBGZPJMESA-N 2 0 387.528 0.931 20 0 GCADRP COC[C@@]1(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000417301725 1189641536 /nfs/dbraw/zinc/64/15/36/1189641536.db2.gz AMQRVUVNYRNBIT-IBGZPJMESA-N 2 0 376.505 0.401 20 0 GCADRP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417307896 1189643553 /nfs/dbraw/zinc/64/35/53/1189643553.db2.gz CEOQJZONKFQDPM-LPHOPBHVSA-N 2 0 387.528 0.930 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915916 1189650264 /nfs/dbraw/zinc/65/02/64/1189650264.db2.gz MCQKAKSOLQYHLZ-XHSDSOJGSA-N 2 0 375.521 0.849 20 0 GCADRP CO[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C[NH3+])C1 ZINC000417371542 1189654687 /nfs/dbraw/zinc/65/46/87/1189654687.db2.gz WKCOOOHSQIDJLE-RBUKOAKNSA-N 3 0 390.532 0.741 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000417434987 1189661750 /nfs/dbraw/zinc/66/17/50/1189661750.db2.gz AWWPTUFIYHROOC-QGZVFWFLSA-N 2 0 395.548 0.341 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417433018 1189663998 /nfs/dbraw/zinc/66/39/98/1189663998.db2.gz UQUYJGMBPHMPKJ-IPMKNSEASA-N 2 0 387.528 0.984 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000584852929 1189692675 /nfs/dbraw/zinc/69/26/75/1189692675.db2.gz KLBZBLRCZIOOQP-MOPGFXCFSA-N 2 0 395.592 0.469 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000660260612 1189695362 /nfs/dbraw/zinc/69/53/62/1189695362.db2.gz AGTBDYHUYGCIDI-BZSNNMDCSA-N 2 0 380.533 0.641 20 0 GCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000636523931 1189697570 /nfs/dbraw/zinc/69/75/70/1189697570.db2.gz YWMNSFBVGLZADK-UHFFFAOYSA-N 2 0 381.565 0.909 20 0 GCADRP C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000417758045 1189702777 /nfs/dbraw/zinc/70/27/77/1189702777.db2.gz UOMUNHWRECFZSL-CABCVRRESA-N 2 0 394.486 0.005 20 0 GCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000417778634 1189704672 /nfs/dbraw/zinc/70/46/72/1189704672.db2.gz FZHTVAYJUNWNBK-LJQANCHMSA-N 2 0 388.493 0.793 20 0 GCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000418058931 1189717189 /nfs/dbraw/zinc/71/71/89/1189717189.db2.gz RORMRGOBLWMJAQ-SFHVURJKSA-N 2 0 375.517 0.787 20 0 GCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000500113316 1189719473 /nfs/dbraw/zinc/71/94/73/1189719473.db2.gz GHSWFCNHJIGIFC-FQEVSTJZSA-N 2 0 395.592 0.267 20 0 GCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000500113327 1189719548 /nfs/dbraw/zinc/71/95/48/1189719548.db2.gz GHSWFCNHJIGIFC-HXUWFJFHSA-N 2 0 395.592 0.267 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000418287003 1189749103 /nfs/dbraw/zinc/74/91/03/1189749103.db2.gz JIPYZVNRQHCPCU-UHFFFAOYSA-N 2 0 395.470 0.578 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000636547753 1189758232 /nfs/dbraw/zinc/75/82/32/1189758232.db2.gz QFEVXSQYNYGRIS-FQEVSTJZSA-N 2 0 389.544 0.690 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000636561676 1189811234 /nfs/dbraw/zinc/81/12/34/1189811234.db2.gz YTPIDNDNFYMRNQ-FQEVSTJZSA-N 2 0 389.544 0.560 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660493693 1189854429 /nfs/dbraw/zinc/85/44/29/1189854429.db2.gz FOYXSAUIMPBETI-IBGZPJMESA-N 2 0 395.592 0.805 20 0 GCADRP CN(C[C@@H]1COCCO1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000660516181 1189877423 /nfs/dbraw/zinc/87/74/23/1189877423.db2.gz PTEPLKIKAOXYHU-GOSISDBHSA-N 2 0 377.489 0.651 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000660532381 1189892406 /nfs/dbraw/zinc/89/24/06/1189892406.db2.gz HVPBNSWKSOKIHC-KZNAEPCWSA-N 2 0 378.517 0.110 20 0 GCADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCS(=O)(=O)CC1 ZINC000511838982 1189905732 /nfs/dbraw/zinc/90/57/32/1189905732.db2.gz SDLLCPIHAFYSAX-UHFFFAOYSA-N 2 0 395.569 0.676 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660864833 1189958897 /nfs/dbraw/zinc/95/88/97/1189958897.db2.gz PLGMIFXWMYCSRX-VQTJNVASSA-N 2 0 393.576 0.814 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000418571717 1189978868 /nfs/dbraw/zinc/97/88/68/1189978868.db2.gz ZEGYOYLTFVPQMY-ZWKOTPCHSA-N 2 0 376.501 0.897 20 0 GCADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000662755039 1190021509 /nfs/dbraw/zinc/02/15/09/1190021509.db2.gz CIUCOVLCVYBUDW-FHWLQOOXSA-N 2 0 387.528 0.806 20 0 GCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)cn2)CC1 ZINC000662784855 1190028555 /nfs/dbraw/zinc/02/85/55/1190028555.db2.gz DVBYKWDYFJCSQU-INIZCTEOSA-N 2 0 384.488 0.992 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[C@@H]2C1 ZINC000661403653 1190043358 /nfs/dbraw/zinc/04/33/58/1190043358.db2.gz YAIQTOPSSKTITP-QZTJIDSGSA-N 2 0 378.517 0.110 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000411016364 1193720933 /nfs/dbraw/zinc/72/09/33/1193720933.db2.gz ANUIEZGIYLYSQF-ZWKOTPCHSA-N 2 0 382.549 0.887 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419223891 1193723084 /nfs/dbraw/zinc/72/30/84/1193723084.db2.gz YWMPOGOFFGMSGZ-APWZRJJASA-N 2 0 388.512 0.639 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419233199 1193743213 /nfs/dbraw/zinc/74/32/13/1193743213.db2.gz VQPUBNBLERPTJN-NUJGCVRESA-N 2 0 388.512 0.364 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000419238203 1193753117 /nfs/dbraw/zinc/75/31/17/1193753117.db2.gz CXRDYCOGBSDZAX-IRXDYDNUSA-N 2 0 390.528 0.611 20 0 GCADRP COc1cc(NC(=O)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc(OC)c1 ZINC000433122241 1193753929 /nfs/dbraw/zinc/75/39/29/1193753929.db2.gz VDQVSBMDRLTCGT-UHFFFAOYSA-N 2 0 378.473 0.962 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000433117127 1193754671 /nfs/dbraw/zinc/75/46/71/1193754671.db2.gz MSFXCDBQIGGQRN-UHFFFAOYSA-N 2 0 379.549 0.250 20 0 GCADRP C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433125958 1193761368 /nfs/dbraw/zinc/76/13/68/1193761368.db2.gz ASBGYMFOBFMLAU-GOSISDBHSA-N 2 0 388.560 0.912 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000419249441 1193763414 /nfs/dbraw/zinc/76/34/14/1193763414.db2.gz ZAFAAEDHICWQOE-MSOLQXFVSA-N 2 0 388.512 0.857 20 0 GCADRP CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140356 1193764043 /nfs/dbraw/zinc/76/40/43/1193764043.db2.gz GUSQDKSOTJENRR-UHFFFAOYSA-N 2 0 380.514 0.687 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664032739 1193764464 /nfs/dbraw/zinc/76/44/64/1193764464.db2.gz AWUMPGQOSVRPIW-UHFFFAOYSA-N 2 0 385.553 0.537 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419274556 1193781252 /nfs/dbraw/zinc/78/12/52/1193781252.db2.gz BLRLPHLYWSKJDJ-SUMWQHHRSA-N 2 0 391.491 0.608 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000419296367 1193791646 /nfs/dbraw/zinc/79/16/46/1193791646.db2.gz DZSQRMDIKNXNIT-HNNXBMFYSA-N 2 0 393.507 0.871 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419293792 1193791900 /nfs/dbraw/zinc/79/19/00/1193791900.db2.gz ZYZJSAWJONEUMB-ZDUSSCGKSA-N 2 0 379.480 0.608 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419294445 1193792002 /nfs/dbraw/zinc/79/20/02/1193792002.db2.gz BRVIVLUFPUMWPB-ZIAGYGMSSA-N 2 0 379.480 0.608 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419305841 1193798622 /nfs/dbraw/zinc/79/86/22/1193798622.db2.gz XMGRMJFWGOIPJG-GJZGRUSLSA-N 2 0 393.507 0.998 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419306988 1193799088 /nfs/dbraw/zinc/79/90/88/1193799088.db2.gz ZHCWYQGMNMWUPH-AWEZNQCLSA-N 2 0 393.507 0.998 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419306990 1193799311 /nfs/dbraw/zinc/79/93/11/1193799311.db2.gz ZHCWYQGMNMWUPH-CQSZACIVSA-N 2 0 393.507 0.998 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324808 1193807679 /nfs/dbraw/zinc/80/76/79/1193807679.db2.gz CPRJCXMATSXKQZ-QZTJIDSGSA-N 2 0 397.564 0.729 20 0 GCADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)(N2CCOCC2)CC1 ZINC000419316820 1193808077 /nfs/dbraw/zinc/80/80/77/1193808077.db2.gz QYVPRJMXXJDNIK-SFHVURJKSA-N 2 0 378.492 0.608 20 0 GCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000433335615 1193809411 /nfs/dbraw/zinc/80/94/11/1193809411.db2.gz MHFJXXKMCBOWEK-SFHVURJKSA-N 2 0 380.581 0.291 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000419332452 1193823602 /nfs/dbraw/zinc/82/36/02/1193823602.db2.gz HVNMMRBHJOQUSK-IBGZPJMESA-N 2 0 387.528 0.390 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc2)CC1 ZINC000419333115 1193826264 /nfs/dbraw/zinc/82/62/64/1193826264.db2.gz IIYXJGYWTQLADN-INIZCTEOSA-N 2 0 375.517 0.246 20 0 GCADRP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000433408443 1193827546 /nfs/dbraw/zinc/82/75/46/1193827546.db2.gz BXPUGODYTOLPTA-IBGZPJMESA-N 2 0 394.608 0.539 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419339692 1193832817 /nfs/dbraw/zinc/83/28/17/1193832817.db2.gz MLRUZHAJZLNIBK-HDICACEKSA-N 2 0 388.512 0.701 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC000419339250 1193833720 /nfs/dbraw/zinc/83/37/20/1193833720.db2.gz LUDOLZJMSHVKRA-UHFFFAOYSA-N 2 0 387.528 0.390 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000419342951 1193833836 /nfs/dbraw/zinc/83/38/36/1193833836.db2.gz QDAVYOSBAIOGMM-IBGZPJMESA-N 2 0 387.528 0.294 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000419341282 1193834575 /nfs/dbraw/zinc/83/45/75/1193834575.db2.gz OHZIHJYVDDCNOR-KRWDZBQOSA-N 2 0 376.501 0.831 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000419340436 1193835866 /nfs/dbraw/zinc/83/58/66/1193835866.db2.gz NHONFTXRIOCTGW-IBGZPJMESA-N 2 0 387.528 0.261 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000419346122 1193842006 /nfs/dbraw/zinc/84/20/06/1193842006.db2.gz UYHLZOSGPWVVAS-LJQANCHMSA-N 2 0 389.544 0.540 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000419346103 1193842029 /nfs/dbraw/zinc/84/20/29/1193842029.db2.gz UWLSFRKACUCNSX-INIZCTEOSA-N 2 0 375.517 0.151 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000419346374 1193842072 /nfs/dbraw/zinc/84/20/72/1193842072.db2.gz VEDYKMWROURQJY-UHFFFAOYSA-N 2 0 387.528 0.438 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000419367583 1193868728 /nfs/dbraw/zinc/86/87/28/1193868728.db2.gz DGRSYSNIKXLDEC-HOTGVXAUSA-N 2 0 382.530 0.742 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419368172 1193872527 /nfs/dbraw/zinc/87/25/27/1193872527.db2.gz FONVXIPTTXXWLM-RBUKOAKNSA-N 2 0 390.528 0.550 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000419375076 1193878464 /nfs/dbraw/zinc/87/84/64/1193878464.db2.gz PYBCEZXOULWDQV-CEXWTWQISA-N 2 0 384.524 0.706 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419380922 1193887169 /nfs/dbraw/zinc/88/71/69/1193887169.db2.gz XXTDIVQKEQPNLH-KSZLIROESA-N 2 0 382.549 0.824 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419386575 1193896372 /nfs/dbraw/zinc/89/63/72/1193896372.db2.gz DVFVQTAXRXUUSD-SFHVURJKSA-N 2 0 388.512 0.516 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC[NH2+]1 ZINC000419388974 1193900141 /nfs/dbraw/zinc/90/01/41/1193900141.db2.gz KUYIPRSWESLTEI-XKQJLSEDSA-N 2 0 394.903 0.648 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000513474830 1193955311 /nfs/dbraw/zinc/95/53/11/1193955311.db2.gz HRYAUJHWXFHSEN-HZPDHXFCSA-N 2 0 382.549 0.791 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513475904 1193955476 /nfs/dbraw/zinc/95/54/76/1193955476.db2.gz LZANYBGUMRWXSC-INIZCTEOSA-N 2 0 397.564 0.092 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000513474831 1193955481 /nfs/dbraw/zinc/95/54/81/1193955481.db2.gz HRYAUJHWXFHSEN-JKSUJKDBSA-N 2 0 382.549 0.791 20 0 GCADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000458843116 1193960917 /nfs/dbraw/zinc/96/09/17/1193960917.db2.gz MMWCEEUTOZHMLB-RBUKOAKNSA-N 2 0 376.501 0.643 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000664213206 1193966740 /nfs/dbraw/zinc/96/67/40/1193966740.db2.gz YXQLPBLIIBBXDZ-UHFFFAOYSA-N 2 0 389.544 0.747 20 0 GCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CCN1C ZINC000549942890 1193967717 /nfs/dbraw/zinc/96/77/17/1193967717.db2.gz HZCJTCIWSGBETP-GOSISDBHSA-N 2 0 394.560 0.936 20 0 GCADRP COCC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]CC1 ZINC000279979024 1193972048 /nfs/dbraw/zinc/97/20/48/1193972048.db2.gz ZRGSLWICXQWFJL-UHFFFAOYSA-N 3 0 375.517 0.726 20 0 GCADRP CO[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419399071 1194019491 /nfs/dbraw/zinc/01/94/91/1194019491.db2.gz IWAWUOJPQVAZNU-ROUUACIJSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000419402278 1194019992 /nfs/dbraw/zinc/01/99/92/1194019992.db2.gz CBKPLFXETVIFEK-NXHRZFHOSA-N 2 0 380.533 0.579 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000419402692 1194020306 /nfs/dbraw/zinc/02/03/06/1194020306.db2.gz CVXAKWVQORPALD-ZWKOTPCHSA-N 2 0 376.476 0.927 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419404593 1194020934 /nfs/dbraw/zinc/02/09/34/1194020934.db2.gz UBYQXNMAHTYESU-BPQIPLTHSA-N 2 0 390.553 0.916 20 0 GCADRP C[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404913 1194021233 /nfs/dbraw/zinc/02/12/33/1194021233.db2.gz UHLQJCCVOIITGN-PKOBYXMFSA-N 2 0 387.528 0.035 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000419407125 1194021972 /nfs/dbraw/zinc/02/19/72/1194021972.db2.gz XTFVEXWAZAUSIY-QGZVFWFLSA-N 2 0 378.542 0.788 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000419418490 1194022517 /nfs/dbraw/zinc/02/25/17/1194022517.db2.gz LDYBEIAXGXKHSC-RTBURBONSA-N 2 0 387.528 0.431 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419421588 1194023394 /nfs/dbraw/zinc/02/33/94/1194023394.db2.gz LPQMNSGXYXHJDY-KBAYOESNSA-N 2 0 380.533 0.722 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419422640 1194024153 /nfs/dbraw/zinc/02/41/53/1194024153.db2.gz QYNABXXBPBZDEY-SFHVURJKSA-N 2 0 387.528 0.431 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419422638 1194024593 /nfs/dbraw/zinc/02/45/93/1194024593.db2.gz QYNABXXBPBZDEY-GOSISDBHSA-N 2 0 387.528 0.431 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419424739 1194024950 /nfs/dbraw/zinc/02/49/50/1194024950.db2.gz ULIYLQRPFATYMW-WMZOPIPTSA-N 2 0 375.517 0.335 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419425547 1194026566 /nfs/dbraw/zinc/02/65/66/1194026566.db2.gz VZEPGKJABWPLMG-MOPGFXCFSA-N 2 0 389.544 0.581 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000419410131 1194028861 /nfs/dbraw/zinc/02/88/61/1194028861.db2.gz OFZDLCCIDMPVKS-BRWVUGGUSA-N 2 0 380.464 0.509 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000419411220 1194029870 /nfs/dbraw/zinc/02/98/70/1194029870.db2.gz BFISTCOIYCJCAP-QRVBRYPASA-N 2 0 388.512 0.904 20 0 GCADRP CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419411312 1194030035 /nfs/dbraw/zinc/03/00/35/1194030035.db2.gz HNBOLXWPYBMXNA-MSOLQXFVSA-N 2 0 376.501 0.637 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419413804 1194030390 /nfs/dbraw/zinc/03/03/90/1194030390.db2.gz FYXCRHGRXFJXEK-MJGOQNOKSA-N 2 0 389.544 0.596 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411955 1194030489 /nfs/dbraw/zinc/03/04/89/1194030489.db2.gz CJHGETAAOQRYBA-RTBURBONSA-N 2 0 387.528 0.335 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419414760 1194030727 /nfs/dbraw/zinc/03/07/27/1194030727.db2.gz GZSZRMOSAKTYPK-GOSISDBHSA-N 2 0 387.528 0.573 20 0 GCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419475672 1194039181 /nfs/dbraw/zinc/03/91/81/1194039181.db2.gz OJPYAKDHWMTWHP-BHIYHBOVSA-N 2 0 388.512 0.589 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000419499238 1194045969 /nfs/dbraw/zinc/04/59/69/1194045969.db2.gz BIMAGSLCKXABTR-GOSISDBHSA-N 2 0 387.528 0.444 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C[NH3+])C1 ZINC000419530681 1194049672 /nfs/dbraw/zinc/04/96/72/1194049672.db2.gz JWUCVUPBEMHUEJ-NXWXRZEISA-N 2 0 388.512 0.588 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000419533827 1194050479 /nfs/dbraw/zinc/05/04/79/1194050479.db2.gz JFFIIQUDFPABSW-ROUUACIJSA-N 2 0 376.501 0.762 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000419512120 1194050896 /nfs/dbraw/zinc/05/08/96/1194050896.db2.gz JOOJTXDPYOYJFO-GOSISDBHSA-N 2 0 387.528 0.573 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419514259 1194051952 /nfs/dbraw/zinc/05/19/52/1194051952.db2.gz NZSZFDBNOCCLHS-GOSISDBHSA-N 2 0 387.528 0.492 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)c1 ZINC000419516363 1194052237 /nfs/dbraw/zinc/05/22/37/1194052237.db2.gz TUSPISKKWUENQN-IEBWSBKVSA-N 2 0 387.528 0.429 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419538494 1194055450 /nfs/dbraw/zinc/05/54/50/1194055450.db2.gz OWRYUMVIQWWEIX-UHFFFAOYSA-N 2 0 376.501 0.591 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000419547324 1194057480 /nfs/dbraw/zinc/05/74/80/1194057480.db2.gz RJHFSSQKIIPNLX-QRVBRYPASA-N 2 0 388.512 0.633 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419549308 1194057696 /nfs/dbraw/zinc/05/76/96/1194057696.db2.gz VLFCHEUAGNZLCW-FUHWJXTLSA-N 2 0 376.501 0.633 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419656816 1194074676 /nfs/dbraw/zinc/07/46/76/1194074676.db2.gz IZXUNSIRCAYBSO-SJLPKXTDSA-N 2 0 376.501 0.508 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419656140 1194074873 /nfs/dbraw/zinc/07/48/73/1194074873.db2.gz IHMDDMUOVNZRTF-MSOLQXFVSA-N 2 0 388.512 0.986 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419650296 1194076938 /nfs/dbraw/zinc/07/69/38/1194076938.db2.gz CNYQVOPUVHRZGE-UHFFFAOYSA-N 2 0 376.501 0.496 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000419650800 1194077070 /nfs/dbraw/zinc/07/70/70/1194077070.db2.gz CWYNXUMRQZOGPH-IYBDPMFKSA-N 2 0 376.501 0.842 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000419650156 1194077213 /nfs/dbraw/zinc/07/72/13/1194077213.db2.gz CEUZKPQBBMGQLL-HOTGVXAUSA-N 2 0 376.501 0.495 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000419663826 1194077472 /nfs/dbraw/zinc/07/74/72/1194077472.db2.gz QWDLPLAZFXXTQE-FQEVSTJZSA-N 2 0 376.501 0.831 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000419663433 1194077482 /nfs/dbraw/zinc/07/74/82/1194077482.db2.gz PWXHFSPVTHMLJQ-OAQYLSRUSA-N 2 0 388.512 0.498 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000419663500 1194077674 /nfs/dbraw/zinc/07/76/74/1194077674.db2.gz QEJMEGZPMBWOCO-DOTOQJQBSA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000419665134 1194077722 /nfs/dbraw/zinc/07/77/22/1194077722.db2.gz STTOZHRFRIRDSP-SFHVURJKSA-N 2 0 390.528 0.873 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419668443 1194078701 /nfs/dbraw/zinc/07/87/01/1194078701.db2.gz YKLKSCTXJQRDOG-SJLPKXTDSA-N 2 0 390.528 0.872 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000419676749 1194079959 /nfs/dbraw/zinc/07/99/59/1194079959.db2.gz BSQCCRXNFCPINW-CVEARBPZSA-N 2 0 382.574 0.969 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686471 1194084880 /nfs/dbraw/zinc/08/48/80/1194084880.db2.gz OFDYDAJDODGDPO-MRXNPFEDSA-N 2 0 380.533 0.642 20 0 GCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419693931 1194086300 /nfs/dbraw/zinc/08/63/00/1194086300.db2.gz OMOAEPKJMBEEBF-LJQANCHMSA-N 2 0 387.528 0.179 20 0 GCADRP CN(CC[NH3+])C(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419696417 1194086843 /nfs/dbraw/zinc/08/68/43/1194086843.db2.gz VEABCHPXRNBAQA-UHFFFAOYSA-N 2 0 375.517 0.118 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000419699271 1194087480 /nfs/dbraw/zinc/08/74/80/1194087480.db2.gz VZZKVGGHJDXEEX-QRQLOZEOSA-N 2 0 392.544 0.864 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419698402 1194087564 /nfs/dbraw/zinc/08/75/64/1194087564.db2.gz ZGERZMBSPDINFU-YESZJQIVSA-N 2 0 394.585 0.969 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000419712266 1194091013 /nfs/dbraw/zinc/09/10/13/1194091013.db2.gz LAZYSZVWYUKMIN-SJORKVTESA-N 2 0 395.548 0.213 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000419712264 1194091188 /nfs/dbraw/zinc/09/11/88/1194091188.db2.gz LAZYSZVWYUKMIN-IAGOWNOFSA-N 2 0 395.548 0.213 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419720944 1194092928 /nfs/dbraw/zinc/09/29/28/1194092928.db2.gz GIANKXJXPOMTCN-ZWKOTPCHSA-N 2 0 376.501 0.715 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419744372 1194095176 /nfs/dbraw/zinc/09/51/76/1194095176.db2.gz IJUGPMMGGFWPDL-SFHVURJKSA-N 2 0 388.512 0.599 20 0 GCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419744370 1194095323 /nfs/dbraw/zinc/09/53/23/1194095323.db2.gz IJUGPMMGGFWPDL-GOSISDBHSA-N 2 0 388.512 0.599 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CCCC2)CC1 ZINC000419746322 1194095748 /nfs/dbraw/zinc/09/57/48/1194095748.db2.gz BTONUJNLSSUZAD-HXUWFJFHSA-N 2 0 392.544 0.738 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CCCC2)CC1 ZINC000419750835 1194096962 /nfs/dbraw/zinc/09/69/62/1194096962.db2.gz JEAUPOPWZBKQRP-IAGOWNOFSA-N 2 0 392.544 0.594 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CCCC2)CC1 ZINC000419752502 1194097430 /nfs/dbraw/zinc/09/74/30/1194097430.db2.gz MFTHSZUYKLRHLM-HOTGVXAUSA-N 2 0 380.533 0.735 20 0 GCADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000501260963 1194098041 /nfs/dbraw/zinc/09/80/41/1194098041.db2.gz LAJOEFLVWAQSGT-HNNXBMFYSA-N 2 0 389.500 0.469 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000419761148 1194099202 /nfs/dbraw/zinc/09/92/02/1194099202.db2.gz PCXPRWBKXAMKPH-IAGOWNOFSA-N 2 0 380.464 0.338 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419739908 1194100284 /nfs/dbraw/zinc/10/02/84/1194100284.db2.gz XCLGMCSSTFGZPH-RHSMWYFYSA-N 2 0 382.455 0.985 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419764209 1194101666 /nfs/dbraw/zinc/10/16/66/1194101666.db2.gz VURHRHAISDDDRJ-CZUORRHYSA-N 2 0 380.464 0.603 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824201 1194110590 /nfs/dbraw/zinc/11/05/90/1194110590.db2.gz MMAXPRCTAADPCP-DLBZAZTESA-N 2 0 381.565 0.271 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419826005 1194111104 /nfs/dbraw/zinc/11/11/04/1194111104.db2.gz RVAWQXNWNQRRMS-KRWDZBQOSA-N 2 0 380.533 0.786 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419848191 1194113623 /nfs/dbraw/zinc/11/36/23/1194113623.db2.gz UCLPRFMNSFPILT-ZWKOTPCHSA-N 2 0 381.565 0.508 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000419835433 1194117283 /nfs/dbraw/zinc/11/72/83/1194117283.db2.gz VCJBTEMKYIJCHG-KRWDZBQOSA-N 2 0 381.565 0.415 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419836793 1194117627 /nfs/dbraw/zinc/11/76/27/1194117627.db2.gz CFGJWBCGEJEHQL-IBGZPJMESA-N 2 0 387.528 0.131 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419839822 1194118146 /nfs/dbraw/zinc/11/81/46/1194118146.db2.gz BYOOIYOZAWINIR-IRXDYDNUSA-N 2 0 394.560 0.983 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419838541 1194118311 /nfs/dbraw/zinc/11/83/11/1194118311.db2.gz GAEUDPCQHSWGMF-JZXOWHBKSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000419854174 1194121392 /nfs/dbraw/zinc/12/13/92/1194121392.db2.gz BIGMBBFHHSGRFD-IIDMSEBBSA-N 2 0 380.533 0.578 20 0 GCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)C2)CC1 ZINC000419863105 1194124998 /nfs/dbraw/zinc/12/49/98/1194124998.db2.gz HMOVAAZKFRXBBK-IBGZPJMESA-N 2 0 393.576 0.368 20 0 GCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863722 1194125699 /nfs/dbraw/zinc/12/56/99/1194125699.db2.gz IBMZJWFQSBOCQH-PKOBYXMFSA-N 2 0 387.528 0.350 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419864953 1194125711 /nfs/dbraw/zinc/12/57/11/1194125711.db2.gz SNEHGKGCKKRJHB-GOSISDBHSA-N 2 0 382.549 0.699 20 0 GCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868192 1194126869 /nfs/dbraw/zinc/12/68/69/1194126869.db2.gz LRTNHMKNRHDJCV-ROUUACIJSA-N 2 0 379.549 0.121 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1 ZINC000419869789 1194127397 /nfs/dbraw/zinc/12/73/97/1194127397.db2.gz JVJGNNLBMOBAEG-GRGSLBFTSA-N 2 0 388.512 0.665 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419869737 1194127473 /nfs/dbraw/zinc/12/74/73/1194127473.db2.gz JQOHXHJCEJYMKQ-QRQLOZEOSA-N 2 0 388.512 0.857 20 0 GCADRP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419873224 1194128232 /nfs/dbraw/zinc/12/82/32/1194128232.db2.gz VCIHELHUJFJTJC-QRVBRYPASA-N 2 0 393.576 0.636 20 0 GCADRP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419873222 1194128414 /nfs/dbraw/zinc/12/84/14/1194128414.db2.gz VCIHELHUJFJTJC-IPMKNSEASA-N 2 0 393.576 0.636 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419875568 1194129447 /nfs/dbraw/zinc/12/94/47/1194129447.db2.gz HFLWHXTUDYRFDN-NXHRZFHOSA-N 2 0 379.549 0.260 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000419882822 1194132380 /nfs/dbraw/zinc/13/23/80/1194132380.db2.gz VMTSFARZKYAZLI-MNEFBYGVSA-N 2 0 388.512 0.810 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419898463 1194136860 /nfs/dbraw/zinc/13/68/60/1194136860.db2.gz QYFPWGNVJOXHRH-QZTJIDSGSA-N 2 0 393.576 0.508 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000419915417 1194137843 /nfs/dbraw/zinc/13/78/43/1194137843.db2.gz PJDOEEQSLFQULX-MRXNPFEDSA-N 2 0 376.501 0.701 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000419913902 1194137909 /nfs/dbraw/zinc/13/79/09/1194137909.db2.gz NECAJGWUNHYGLZ-KRWDZBQOSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419917090 1194138591 /nfs/dbraw/zinc/13/85/91/1194138591.db2.gz RPHRJWVHCJWPBE-KSZLIROESA-N 2 0 379.549 0.119 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419920031 1194138726 /nfs/dbraw/zinc/13/87/26/1194138726.db2.gz FTWWTDPPKYHMHL-UHFFFAOYSA-N 2 0 386.418 0.931 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000419908121 1194140929 /nfs/dbraw/zinc/14/09/29/1194140929.db2.gz YFESZVYUAHEDPP-MOPGFXCFSA-N 2 0 388.512 0.810 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419908626 1194141555 /nfs/dbraw/zinc/14/15/55/1194141555.db2.gz IXIWEDTUADXROO-RTBURBONSA-N 2 0 395.592 0.898 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000419949490 1194143109 /nfs/dbraw/zinc/14/31/09/1194143109.db2.gz LJKPUWXCQPIZAM-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419956387 1194144131 /nfs/dbraw/zinc/14/41/31/1194144131.db2.gz ALGXWXVMFFUIDX-ZWKOTPCHSA-N 2 0 382.549 0.970 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419938356 1194145076 /nfs/dbraw/zinc/14/50/76/1194145076.db2.gz PJMNGZLZQFDBTF-ZIFCJYIRSA-N 2 0 394.560 0.983 20 0 GCADRP [NH3+][C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000419935794 1194145207 /nfs/dbraw/zinc/14/52/07/1194145207.db2.gz SSPNTNMACKYBIB-IBGZPJMESA-N 2 0 388.512 0.906 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419936468 1194145382 /nfs/dbraw/zinc/14/53/82/1194145382.db2.gz UIPLPGWVTKALOS-FQEVSTJZSA-N 2 0 376.501 0.198 20 0 GCADRP CCn1cc(CN2CCCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000419939652 1194145996 /nfs/dbraw/zinc/14/59/96/1194145996.db2.gz RTBLMYXALWGCCY-QGZVFWFLSA-N 2 0 376.505 0.196 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419958850 1194147507 /nfs/dbraw/zinc/14/75/07/1194147507.db2.gz QNFXJYSXXNBARF-KRWDZBQOSA-N 2 0 381.565 0.493 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000419961105 1194147773 /nfs/dbraw/zinc/14/77/73/1194147773.db2.gz FUYMFFIIRNWTKH-SJLPKXTDSA-N 2 0 380.533 0.581 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000419965842 1194149158 /nfs/dbraw/zinc/14/91/58/1194149158.db2.gz KJSDYPRZJIQHBY-QRQLOZEOSA-N 2 0 393.576 0.495 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419973240 1194150356 /nfs/dbraw/zinc/15/03/56/1194150356.db2.gz HKFCZDHZCGBDHC-UHOSZYNNSA-N 3 0 395.592 0.754 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419996943 1194155077 /nfs/dbraw/zinc/15/50/77/1194155077.db2.gz JKPUCKXNUWBKAL-OTWHNJEPSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000420001823 1194155687 /nfs/dbraw/zinc/15/56/87/1194155687.db2.gz QKCBBBKEJJQIHQ-IRXDYDNUSA-N 2 0 379.549 0.119 20 0 GCADRP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420024090 1194158304 /nfs/dbraw/zinc/15/83/04/1194158304.db2.gz AEIGIJWNTMSHTI-QRVBRYPASA-N 2 0 393.576 0.636 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)o1 ZINC000420023594 1194158332 /nfs/dbraw/zinc/15/83/32/1194158332.db2.gz AUHIKPPSAQHILP-GDBMZVCRSA-N 2 0 380.489 0.707 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420025334 1194158873 /nfs/dbraw/zinc/15/88/73/1194158873.db2.gz ZECCZUXHGYBCJP-FUHWJXTLSA-N 2 0 380.533 0.724 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420025336 1194158990 /nfs/dbraw/zinc/15/89/90/1194158990.db2.gz ZECCZUXHGYBCJP-WMZOPIPTSA-N 2 0 380.533 0.724 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420027706 1194159562 /nfs/dbraw/zinc/15/95/62/1194159562.db2.gz DHSITTOJVJXOMP-NVXWUHKLSA-N 2 0 398.548 0.565 20 0 GCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420027542 1194159738 /nfs/dbraw/zinc/15/97/38/1194159738.db2.gz CMSJIWDUOXYMMH-RTBURBONSA-N 2 0 394.560 0.971 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000420032406 1194160943 /nfs/dbraw/zinc/16/09/43/1194160943.db2.gz HYIRBRRKGFINLP-MAZHCROVSA-N 2 0 380.464 0.774 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000420011857 1194161378 /nfs/dbraw/zinc/16/13/78/1194161378.db2.gz IOUQZEVHNKNBFS-ROUUACIJSA-N 2 0 375.517 0.994 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420019558 1194163096 /nfs/dbraw/zinc/16/30/96/1194163096.db2.gz RFJGANLNJUXOHW-GUDVDZBRSA-N 2 0 395.592 0.882 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000420059973 1194164253 /nfs/dbraw/zinc/16/42/53/1194164253.db2.gz KDHNDKQKHBRYMJ-IBGZPJMESA-N 2 0 387.528 0.116 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000420062859 1194165039 /nfs/dbraw/zinc/16/50/39/1194165039.db2.gz NENMOMQRDBPULF-ZWKOTPCHSA-N 2 0 393.576 0.496 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420042465 1194166973 /nfs/dbraw/zinc/16/69/73/1194166973.db2.gz QRKJGVBAFIKLRU-ZFWWWQNUSA-N 2 0 382.530 0.868 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420074148 1194172645 /nfs/dbraw/zinc/17/26/45/1194172645.db2.gz QCZYQSGXSXVCPU-SCTDSRPQSA-N 2 0 393.576 0.637 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000420074896 1194173285 /nfs/dbraw/zinc/17/32/85/1194173285.db2.gz RDWIGZPLESSJFP-IBGZPJMESA-N 2 0 394.560 0.971 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000420097343 1194176629 /nfs/dbraw/zinc/17/66/29/1194176629.db2.gz IYADPWSMSPTGTI-IBGZPJMESA-N 2 0 375.473 0.245 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000420097346 1194176887 /nfs/dbraw/zinc/17/68/87/1194176887.db2.gz IYADPWSMSPTGTI-LJQANCHMSA-N 2 0 375.473 0.245 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000420100909 1194177858 /nfs/dbraw/zinc/17/78/58/1194177858.db2.gz LEXLRIRENOWLQR-NRFANRHFSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000420093610 1194183654 /nfs/dbraw/zinc/18/36/54/1194183654.db2.gz WYXFNXUIYLTRDR-IAGOWNOFSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000420136980 1194184589 /nfs/dbraw/zinc/18/45/89/1194184589.db2.gz WPNIVUVAPNGNRA-VXNCWWDNSA-N 2 0 394.560 0.981 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)C[C@@H](C)O1 ZINC000420137177 1194184753 /nfs/dbraw/zinc/18/47/53/1194184753.db2.gz WRYUQSOAMZARQH-YWTNHNAXSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000420114677 1194185235 /nfs/dbraw/zinc/18/52/35/1194185235.db2.gz GATLVXYMNZCYBR-WMZOPIPTSA-N 2 0 388.512 0.893 20 0 GCADRP CC1(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[NH2+]CC1 ZINC000420123026 1194188197 /nfs/dbraw/zinc/18/81/97/1194188197.db2.gz ODADKNATPANSLE-UHFFFAOYSA-N 2 0 394.560 0.843 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420140740 1194192405 /nfs/dbraw/zinc/19/24/05/1194192405.db2.gz HASRVJKOWYORLG-JFIYKMOQSA-N 2 0 382.549 0.968 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000420149631 1194194005 /nfs/dbraw/zinc/19/40/05/1194194005.db2.gz VWQIYGMHLJUMRG-QGZVFWFLSA-N 2 0 381.565 0.637 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000420176549 1194195182 /nfs/dbraw/zinc/19/51/82/1194195182.db2.gz ACXOEGWCCSSHRH-UHFFFAOYSA-N 2 0 382.549 0.698 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000420182559 1194197243 /nfs/dbraw/zinc/19/72/43/1194197243.db2.gz FNGWDUHMRBVNNL-ZWKOTPCHSA-N 2 0 380.533 0.596 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420183499 1194197558 /nfs/dbraw/zinc/19/75/58/1194197558.db2.gz GZRBGAUMTOJWGV-INIZCTEOSA-N 2 0 398.454 0.350 20 0 GCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000420184623 1194197908 /nfs/dbraw/zinc/19/79/08/1194197908.db2.gz ILIVXNNGVHXQDR-SFHVURJKSA-N 2 0 376.501 0.380 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589594 1194198150 /nfs/dbraw/zinc/19/81/50/1194198150.db2.gz POEDAWHYLLTFOC-QGZVFWFLSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420174203 1194202033 /nfs/dbraw/zinc/20/20/33/1194202033.db2.gz YGOCNDHHQJWHSF-WBVHZDCISA-N 2 0 380.533 0.593 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2CCO[C@@H](CF)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420198350 1194202186 /nfs/dbraw/zinc/20/21/86/1194202186.db2.gz CFKAKRVUTJGQGY-KRWDZBQOSA-N 2 0 392.475 0.293 20 0 GCADRP C[C@H](O)CCN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420199062 1194203125 /nfs/dbraw/zinc/20/31/25/1194203125.db2.gz DAXULURJKBYJNQ-INIZCTEOSA-N 2 0 376.501 0.325 20 0 GCADRP CC[C@]1(O)CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420202236 1194203784 /nfs/dbraw/zinc/20/37/84/1194203784.db2.gz JCNLLVFJPNMBHQ-NRFANRHFSA-N 2 0 388.512 0.470 20 0 GCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420190827 1194206914 /nfs/dbraw/zinc/20/69/14/1194206914.db2.gz PPACWTJXHQZFTO-INIZCTEOSA-N 2 0 396.557 0.913 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420192642 1194207550 /nfs/dbraw/zinc/20/75/50/1194207550.db2.gz QXDVKDCSJYECMB-HKUYNNGSSA-N 2 0 388.512 0.604 20 0 GCADRP C[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420209591 1194211435 /nfs/dbraw/zinc/21/14/35/1194211435.db2.gz TYYRNXUXPGXIRM-AEFFLSMTSA-N 2 0 388.512 0.325 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420208364 1194211568 /nfs/dbraw/zinc/21/15/68/1194211568.db2.gz XYZOXVXYLQJNDA-SFHVURJKSA-N 2 0 376.501 0.114 20 0 GCADRP C[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420209594 1194211755 /nfs/dbraw/zinc/21/17/55/1194211755.db2.gz TYYRNXUXPGXIRM-FUHWJXTLSA-N 2 0 388.512 0.325 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000420210145 1194212118 /nfs/dbraw/zinc/21/21/18/1194212118.db2.gz NGMCTEKLMRVHBM-BSDSXHPESA-N 2 0 380.533 0.450 20 0 GCADRP CCOCCN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420210953 1194212924 /nfs/dbraw/zinc/21/29/24/1194212924.db2.gz VDGCQSQZXSAMEK-UHFFFAOYSA-N 2 0 376.501 0.591 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000420210715 1194213059 /nfs/dbraw/zinc/21/30/59/1194213059.db2.gz SLQKXRZHFPNIBV-UKBAYJJMSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCCO1 ZINC000501619563 1194214488 /nfs/dbraw/zinc/21/44/88/1194214488.db2.gz CCCAJQWVROXVJI-IEBWSBKVSA-N 2 0 394.560 0.984 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501619803 1194214957 /nfs/dbraw/zinc/21/49/57/1194214957.db2.gz YCWYCADIRLBJPP-SFHVURJKSA-N 2 0 394.560 0.936 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501635186 1194216443 /nfs/dbraw/zinc/21/64/43/1194216443.db2.gz FXVKYJPXPSMEOS-SJLPKXTDSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501638013 1194216783 /nfs/dbraw/zinc/21/67/83/1194216783.db2.gz JTEBHSZZXCRVMQ-ZWKOTPCHSA-N 2 0 394.560 0.984 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501638010 1194216971 /nfs/dbraw/zinc/21/69/71/1194216971.db2.gz JTEBHSZZXCRVMQ-MSOLQXFVSA-N 2 0 394.560 0.984 20 0 GCADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000420345622 1194222405 /nfs/dbraw/zinc/22/24/05/1194222405.db2.gz AUKOQHZVUGWNIJ-INIZCTEOSA-N 2 0 382.455 0.926 20 0 GCADRP C[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C[C@H](O)C[NH3+] ZINC000420348760 1194222795 /nfs/dbraw/zinc/22/27/95/1194222795.db2.gz AUJUWXASKREWLE-OAHLLOKOSA-N 2 0 384.502 0.051 20 0 GCADRP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420351389 1194223115 /nfs/dbraw/zinc/22/31/15/1194223115.db2.gz WVCRBFVCCNDRMA-MOPGFXCFSA-N 2 0 376.476 0.705 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000501733395 1194224441 /nfs/dbraw/zinc/22/44/41/1194224441.db2.gz SHASIBNAYHFOCE-MJGOQNOKSA-N 2 0 390.528 0.708 20 0 GCADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000420380830 1194225052 /nfs/dbraw/zinc/22/50/52/1194225052.db2.gz OKARFPWOGFNGTQ-JSGCOSHPSA-N 2 0 380.411 0.983 20 0 GCADRP COC(=O)c1nccc2c1cccc2S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420453398 1194229705 /nfs/dbraw/zinc/22/97/05/1194229705.db2.gz KCEXAJLMELFKFN-UHFFFAOYSA-N 2 0 380.470 0.710 20 0 GCADRP Cn1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1C(=O)NCC(F)(F)F ZINC000420447183 1194230168 /nfs/dbraw/zinc/23/01/68/1194230168.db2.gz COJKTUVJEUDAKO-UHFFFAOYSA-N 2 0 399.439 0.006 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[NH+](C)C)c1 ZINC000420849913 1194268982 /nfs/dbraw/zinc/26/89/82/1194268982.db2.gz UWJURLZLLMMMIL-SJLPKXTDSA-N 2 0 376.501 0.967 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000502929934 1194368131 /nfs/dbraw/zinc/36/81/31/1194368131.db2.gz WBWYAHBKVZQFLK-KRWDZBQOSA-N 2 0 397.545 0.941 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CCN1C1CC[NH+](C)CC1 ZINC000422103442 1194385674 /nfs/dbraw/zinc/38/56/74/1194385674.db2.gz GSESGRVOQJQIQU-WMZOPIPTSA-N 2 0 379.549 0.166 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000422132958 1194397291 /nfs/dbraw/zinc/39/72/91/1194397291.db2.gz IFJDFYRNYMFGNX-OAHLLOKOSA-N 2 0 375.473 0.291 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCc2nnnn2CC1 ZINC000422160374 1194402618 /nfs/dbraw/zinc/40/26/18/1194402618.db2.gz SJQHZLLSVWWCMT-MRXNPFEDSA-N 2 0 399.503 0.285 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000272764480 1194498430 /nfs/dbraw/zinc/49/84/30/1194498430.db2.gz LGDTYPFJOYJHBV-RTBURBONSA-N 2 0 376.501 0.773 20 0 GCADRP CN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000652729062 1194514875 /nfs/dbraw/zinc/51/48/75/1194514875.db2.gz OXLCFGXUDSZGAM-SFHVURJKSA-N 2 0 379.549 0.201 20 0 GCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000273042083 1194533026 /nfs/dbraw/zinc/53/30/26/1194533026.db2.gz GIOGTPNMJZHLNB-HOJAQTOUSA-N 2 0 375.513 0.954 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)C1 ZINC000652729142 1194536484 /nfs/dbraw/zinc/53/64/84/1194536484.db2.gz UBYXDWFKSVHTQR-MANSERQUSA-N 2 0 392.544 0.818 20 0 GCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000273149979 1194543195 /nfs/dbraw/zinc/54/31/95/1194543195.db2.gz YRQAOYWRWRJVGI-SFHVURJKSA-N 3 0 375.517 0.678 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000422260841 1194601287 /nfs/dbraw/zinc/60/12/87/1194601287.db2.gz DDLOMPQCNWQVCL-HZPDHXFCSA-N 2 0 378.525 0.436 20 0 GCADRP C[C@@H]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000422288375 1194603609 /nfs/dbraw/zinc/60/36/09/1194603609.db2.gz UOIHTUJSAYWSBJ-AEFFLSMTSA-N 2 0 389.500 0.394 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)CC1 ZINC000422307797 1194616549 /nfs/dbraw/zinc/61/65/49/1194616549.db2.gz OQICLYVHDNGPIW-KRWDZBQOSA-N 2 0 393.576 0.604 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000422396578 1194635933 /nfs/dbraw/zinc/63/59/33/1194635933.db2.gz LGFSJQUGJAQFIM-KRWDZBQOSA-N 2 0 391.516 0.579 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCC[N@H+](C)C3CC3)CC2)c1 ZINC000422454101 1194649061 /nfs/dbraw/zinc/64/90/61/1194649061.db2.gz KUFYODSLUVOIOI-UHFFFAOYSA-N 2 0 389.500 0.729 20 0 GCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000422497880 1194652505 /nfs/dbraw/zinc/65/25/05/1194652505.db2.gz WLJLGJBNOGBYKQ-ZWKOTPCHSA-N 2 0 380.533 0.405 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000422486394 1194655235 /nfs/dbraw/zinc/65/52/35/1194655235.db2.gz GTXQGHCVIJGNBC-MRXNPFEDSA-N 2 0 389.500 0.587 20 0 GCADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000422547345 1194668339 /nfs/dbraw/zinc/66/83/39/1194668339.db2.gz WNTNFSTXTCCQIV-NQIIRXRSSA-N 2 0 388.512 0.292 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000503468015 1194674624 /nfs/dbraw/zinc/67/46/24/1194674624.db2.gz HLHSQDPJHJSXRE-ROUUACIJSA-N 2 0 395.548 0.435 20 0 GCADRP CCOC(=O)c1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)nc1 ZINC000414677433 1194680761 /nfs/dbraw/zinc/68/07/61/1194680761.db2.gz OUPOCMBQVMTKRR-MRXNPFEDSA-N 2 0 389.500 0.578 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880827 1194704749 /nfs/dbraw/zinc/70/47/49/1194704749.db2.gz OVKPAVYEIJCQOU-DLBZAZTESA-N 2 0 382.549 0.840 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880830 1194704794 /nfs/dbraw/zinc/70/47/94/1194704794.db2.gz OVKPAVYEIJCQOU-SJORKVTESA-N 2 0 382.549 0.840 20 0 GCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422908604 1194706853 /nfs/dbraw/zinc/70/68/53/1194706853.db2.gz DJBGJSRCWUMUQM-OALUTQOASA-N 2 0 388.512 0.895 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423066949 1194724026 /nfs/dbraw/zinc/72/40/26/1194724026.db2.gz YGRMBKWWQCKOLO-ROUUACIJSA-N 2 0 382.549 0.778 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC[NH2+]CC1 ZINC000423105414 1194729707 /nfs/dbraw/zinc/72/97/07/1194729707.db2.gz INMUZPIXPIVVRL-HUUCEWRRSA-N 2 0 387.546 0.854 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423208375 1194736396 /nfs/dbraw/zinc/73/63/96/1194736396.db2.gz HTVJLJOZWFZMPC-ROUUACIJSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423205825 1194736477 /nfs/dbraw/zinc/73/64/77/1194736477.db2.gz PRSJXMXVUHEJRD-GOEBONIOSA-N 2 0 394.466 0.923 20 0 GCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)C[C@H](C)O1 ZINC000423200100 1194738841 /nfs/dbraw/zinc/73/88/41/1194738841.db2.gz DDYRDCDLUOCVAX-HOTGVXAUSA-N 2 0 382.549 0.778 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)C[C@H](C)O1 ZINC000423200102 1194739028 /nfs/dbraw/zinc/73/90/28/1194739028.db2.gz DDYRDCDLUOCVAX-IYBDPMFKSA-N 2 0 382.549 0.778 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000423202625 1194739063 /nfs/dbraw/zinc/73/90/63/1194739063.db2.gz BENLTFVHKCLTCY-ZJPYXAASSA-N 2 0 379.549 0.199 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423202749 1194739187 /nfs/dbraw/zinc/73/91/87/1194739187.db2.gz LEMBAGSHBJVZDI-IRXDYDNUSA-N 2 0 394.560 0.792 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000423203363 1194739299 /nfs/dbraw/zinc/73/92/99/1194739299.db2.gz CINVBHICYNDDCI-AKHDSKFASA-N 2 0 393.576 0.589 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423205606 1194739323 /nfs/dbraw/zinc/73/93/23/1194739323.db2.gz FEJUNJGGASSSPD-CEXWTWQISA-N 2 0 393.576 0.591 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423205395 1194739427 /nfs/dbraw/zinc/73/94/27/1194739427.db2.gz POPFKOGFERCUSI-HZPDHXFCSA-N 2 0 394.466 0.923 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423205607 1194739506 /nfs/dbraw/zinc/73/95/06/1194739506.db2.gz FEJUNJGGASSSPD-GUDVDZBRSA-N 2 0 393.576 0.591 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423221279 1194741079 /nfs/dbraw/zinc/74/10/79/1194741079.db2.gz ZQFSKZYXIHBRMB-CEXWTWQISA-N 2 0 388.512 0.509 20 0 GCADRP O=C(C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423229679 1194742059 /nfs/dbraw/zinc/74/20/59/1194742059.db2.gz HQCLJZNTLMPUCP-BGYRXZFFSA-N 2 0 384.524 0.831 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423260952 1194742696 /nfs/dbraw/zinc/74/26/96/1194742696.db2.gz IWQDGKLAHBGXTL-RBUKOAKNSA-N 2 0 390.528 0.757 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)c1 ZINC000423261901 1194742751 /nfs/dbraw/zinc/74/27/51/1194742751.db2.gz TWQHNPYEZRZNMW-HUUCEWRRSA-N 2 0 375.473 0.182 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000423264128 1194743082 /nfs/dbraw/zinc/74/30/82/1194743082.db2.gz YENSLBFZZSYWEB-UHFFFAOYSA-N 2 0 375.473 0.197 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423259722 1194744407 /nfs/dbraw/zinc/74/44/07/1194744407.db2.gz FRPKOEZCFDWRLS-GOSISDBHSA-N 2 0 382.549 0.651 20 0 GCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000423258862 1194744411 /nfs/dbraw/zinc/74/44/11/1194744411.db2.gz MVVNCPOPHDHIIF-GOSISDBHSA-N 2 0 376.501 0.461 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271117 1194745380 /nfs/dbraw/zinc/74/53/80/1194745380.db2.gz XGLLPBPZQYRWQZ-IBGZPJMESA-N 2 0 387.528 0.212 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1C1CC[NH+](C)CC1 ZINC000423378944 1194752211 /nfs/dbraw/zinc/75/22/11/1194752211.db2.gz LJEFGJUTWKOUCU-QGZVFWFLSA-N 2 0 391.560 0.215 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423385389 1194752428 /nfs/dbraw/zinc/75/24/28/1194752428.db2.gz QWVKBHDFKADAQE-KCITZHQASA-N 2 0 391.560 0.199 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423392834 1194753292 /nfs/dbraw/zinc/75/32/92/1194753292.db2.gz QSQPZJLUEMYANF-UOVPBQLFSA-N 2 0 378.517 0.284 20 0 GCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423409265 1194755128 /nfs/dbraw/zinc/75/51/28/1194755128.db2.gz BNNMGHKWTJZZPM-GOSISDBHSA-N 2 0 379.549 0.073 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423446099 1194755844 /nfs/dbraw/zinc/75/58/44/1194755844.db2.gz NTEOSNYCUMKBNU-RTBURBONSA-N 2 0 392.544 0.405 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423453774 1194756259 /nfs/dbraw/zinc/75/62/59/1194756259.db2.gz YBSNMGBHHJHAQV-HDICACEKSA-N 2 0 378.517 0.015 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000423452014 1194756529 /nfs/dbraw/zinc/75/65/29/1194756529.db2.gz VRKZRLXCAIRJTP-IAGOWNOFSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000423431692 1194756907 /nfs/dbraw/zinc/75/69/07/1194756907.db2.gz AQUNQWOHOJMUDS-QGZVFWFLSA-N 2 0 394.560 0.923 20 0 GCADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423438725 1194757199 /nfs/dbraw/zinc/75/71/99/1194757199.db2.gz HEGRZDGPSXYZDL-HNNXBMFYSA-N 2 0 393.557 0.942 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000423437532 1194757254 /nfs/dbraw/zinc/75/72/54/1194757254.db2.gz UHQGBDUZNBKHKW-DLBZAZTESA-N 2 0 380.533 0.533 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423441619 1194757473 /nfs/dbraw/zinc/75/74/73/1194757473.db2.gz JBRXJWLCMANVHT-IRXDYDNUSA-N 2 0 382.549 0.792 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCO1 ZINC000423465822 1194758320 /nfs/dbraw/zinc/75/83/20/1194758320.db2.gz CRBGTGSCCCYRGQ-OTWHNJEPSA-N 2 0 386.496 0.153 20 0 GCADRP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423453434 1194759350 /nfs/dbraw/zinc/75/93/50/1194759350.db2.gz XNBNDBAKRQOPND-RBUKOAKNSA-N 2 0 392.544 0.548 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423453612 1194759414 /nfs/dbraw/zinc/75/94/14/1194759414.db2.gz AYKTUAKKLARADB-PKOBYXMFSA-N 2 0 388.512 0.686 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423500620 1194759805 /nfs/dbraw/zinc/75/98/05/1194759805.db2.gz KOVHABWDRFSSMG-FUHWJXTLSA-N 2 0 380.533 0.676 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423505657 1194760123 /nfs/dbraw/zinc/76/01/23/1194760123.db2.gz OQMCCCMQTCLYRD-ZIFCJYIRSA-N 2 0 394.560 0.792 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000423484067 1194760279 /nfs/dbraw/zinc/76/02/79/1194760279.db2.gz TTYLJYREPYIOCH-MJGOQNOKSA-N 2 0 388.512 0.796 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423509535 1194760308 /nfs/dbraw/zinc/76/03/08/1194760308.db2.gz RNPYJXAASDOZND-CALCHBBNSA-N 2 0 382.549 0.792 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423509538 1194760323 /nfs/dbraw/zinc/76/03/23/1194760323.db2.gz RNPYJXAASDOZND-IAGOWNOFSA-N 2 0 382.549 0.792 20 0 GCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423482005 1194760407 /nfs/dbraw/zinc/76/04/07/1194760407.db2.gz XIKUEGKXIUBKRU-CYBMUJFWSA-N 2 0 382.427 0.295 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000423486789 1194760474 /nfs/dbraw/zinc/76/04/74/1194760474.db2.gz WOTVLCYTAMBNSI-GOSISDBHSA-N 2 0 392.500 0.162 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423494214 1194760994 /nfs/dbraw/zinc/76/09/94/1194760994.db2.gz ACEVVCKISUUGHN-LLGFUMIMSA-N 2 0 394.560 0.922 20 0 GCADRP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530537 1194761589 /nfs/dbraw/zinc/76/15/89/1194761589.db2.gz PPGBOLQLGSYKTK-QZTJIDSGSA-N 2 0 379.549 0.214 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423511157 1194761808 /nfs/dbraw/zinc/76/18/08/1194761808.db2.gz NLOCDXFTPBHUAI-QZTJIDSGSA-N 2 0 382.549 0.922 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423519478 1194762550 /nfs/dbraw/zinc/76/25/50/1194762550.db2.gz JITZEEKWFBJYJY-WDSOQIARSA-N 2 0 394.560 0.922 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423589634 1194766694 /nfs/dbraw/zinc/76/66/94/1194766694.db2.gz AIIMLWBQDZIPJR-BZSNNMDCSA-N 2 0 379.549 0.214 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423565362 1194767319 /nfs/dbraw/zinc/76/73/19/1194767319.db2.gz BFVLUWBTUVEHFZ-SJORKVTESA-N 2 0 380.533 0.674 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000423576052 1194769269 /nfs/dbraw/zinc/76/92/69/1194769269.db2.gz XGDJXIWFMHGGPA-LZJOCLMNSA-N 2 0 388.512 0.291 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423603391 1194772075 /nfs/dbraw/zinc/77/20/75/1194772075.db2.gz FDUCTQRJDLAHFN-WOJBJXKFSA-N 2 0 399.539 0.225 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000423595505 1194774827 /nfs/dbraw/zinc/77/48/27/1194774827.db2.gz PZCPHEZOMQTOMB-GOSISDBHSA-N 2 0 382.549 0.794 20 0 GCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423647517 1194776442 /nfs/dbraw/zinc/77/64/42/1194776442.db2.gz NCRDPJMCPGLRCG-WOJBJXKFSA-N 2 0 399.539 0.355 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423627770 1194778508 /nfs/dbraw/zinc/77/85/08/1194778508.db2.gz JAXUCAOLUXEKBJ-ROUUACIJSA-N 2 0 387.528 0.476 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423658761 1194780420 /nfs/dbraw/zinc/78/04/20/1194780420.db2.gz GWZJVPQLOGLVMX-QGZVFWFLSA-N 2 0 380.533 0.690 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423659185 1194780725 /nfs/dbraw/zinc/78/07/25/1194780725.db2.gz YYDSWOAAMUODSJ-SJLPKXTDSA-N 2 0 382.549 0.779 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)[C@H](C[NH3+])C1 ZINC000423661318 1194780840 /nfs/dbraw/zinc/78/08/40/1194780840.db2.gz DFEWMDZFMOIMQD-ZGUYJTEBSA-N 2 0 380.533 0.674 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)[C@H](C[NH3+])C1 ZINC000423661315 1194780888 /nfs/dbraw/zinc/78/08/88/1194780888.db2.gz DFEWMDZFMOIMQD-FOIPXRHGSA-N 2 0 380.533 0.674 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423668602 1194782114 /nfs/dbraw/zinc/78/21/14/1194782114.db2.gz KGPURIKNDULJGV-ROUUACIJSA-N 2 0 382.549 0.922 20 0 GCADRP CCCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)C1CC[NH2+]CC1 ZINC000423693970 1194783185 /nfs/dbraw/zinc/78/31/85/1194783185.db2.gz FEWMZGCXRPBIQL-GOSISDBHSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423683291 1194785709 /nfs/dbraw/zinc/78/57/09/1194785709.db2.gz HEWPFVXPSAIJKK-XYJFISCASA-N 2 0 379.549 0.342 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423683289 1194785782 /nfs/dbraw/zinc/78/57/82/1194785782.db2.gz HEWPFVXPSAIJKK-SOLBZPMBSA-N 2 0 379.549 0.342 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000423688798 1194786243 /nfs/dbraw/zinc/78/62/43/1194786243.db2.gz XRNMZZUCEMJPLT-ICSRJNTNSA-N 2 0 399.539 0.225 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000423688802 1194786413 /nfs/dbraw/zinc/78/64/13/1194786413.db2.gz XRNMZZUCEMJPLT-UYAOXDASSA-N 2 0 399.539 0.225 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423724328 1194789315 /nfs/dbraw/zinc/78/93/15/1194789315.db2.gz GXXQOJOWUSIUHA-SJORKVTESA-N 2 0 398.548 0.158 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423726315 1194789626 /nfs/dbraw/zinc/78/96/26/1194789626.db2.gz TZCFVJVXZHAPFO-KRWDZBQOSA-N 2 0 380.533 0.690 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423725532 1194789652 /nfs/dbraw/zinc/78/96/52/1194789652.db2.gz HRPAPPLZXGMHLS-YRXWBPOGSA-N 2 0 393.576 0.589 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000423727604 1194789966 /nfs/dbraw/zinc/78/99/66/1194789966.db2.gz VJGGTASSAZVFIT-INIZCTEOSA-N 2 0 391.516 0.081 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423741929 1194790777 /nfs/dbraw/zinc/79/07/77/1194790777.db2.gz YROCYOJFJAQHAE-WCIQWLHISA-N 2 0 382.508 0.787 20 0 GCADRP [NH3+]Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000414767855 1194796526 /nfs/dbraw/zinc/79/65/26/1194796526.db2.gz GWTVONMLWWNWIB-UHFFFAOYSA-N 3 0 396.495 0.807 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414768578 1194796998 /nfs/dbraw/zinc/79/69/98/1194796998.db2.gz IMRUAGQTTUICMM-QGZVFWFLSA-N 2 0 378.473 0.532 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000424438703 1194811384 /nfs/dbraw/zinc/81/13/84/1194811384.db2.gz MEODRRHHXCKZNU-UHFFFAOYSA-N 2 0 396.495 0.855 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)NCc3ccccc3OCC[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424452733 1194815112 /nfs/dbraw/zinc/81/51/12/1194815112.db2.gz IPPJLRSZBPYQIE-ZWKOTPCHSA-N 2 0 386.500 0.997 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)NCc3ccncc3OCC[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424483013 1194815570 /nfs/dbraw/zinc/81/55/70/1194815570.db2.gz WBFQEYAJWSPNHC-DLBZAZTESA-N 2 0 387.488 0.392 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424497507 1194817822 /nfs/dbraw/zinc/81/78/22/1194817822.db2.gz XMNDZDODEVEKQJ-MSOLQXFVSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000424502451 1194818570 /nfs/dbraw/zinc/81/85/70/1194818570.db2.gz GQGCCSNAHCQVDC-XNWPKKHHSA-N 2 0 390.532 0.300 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000424504216 1194818940 /nfs/dbraw/zinc/81/89/40/1194818940.db2.gz JDJZRGMDZXBFBD-OTWHNJEPSA-N 2 0 398.511 0.401 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424504652 1194818977 /nfs/dbraw/zinc/81/89/77/1194818977.db2.gz JWJSEUMTOKIOLK-IRXDYDNUSA-N 2 0 380.533 0.450 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424539697 1194819116 /nfs/dbraw/zinc/81/91/16/1194819116.db2.gz CUZNEDCNJHPECF-FGTMMUONSA-N 2 0 388.516 0.054 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424508748 1194819245 /nfs/dbraw/zinc/81/92/45/1194819245.db2.gz PJJFWBGHQCMFEA-CEXWTWQISA-N 2 0 396.495 0.064 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424537879 1194820167 /nfs/dbraw/zinc/82/01/67/1194820167.db2.gz BSFBFBFCABKTCZ-RBUKOAKNSA-N 2 0 398.511 0.441 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)C[C@H]2[NH3+])cn1 ZINC000424523573 1194822130 /nfs/dbraw/zinc/82/21/30/1194822130.db2.gz OSWFCLIYNCZFOV-ZWKOTPCHSA-N 2 0 384.484 0.051 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424542390 1194822601 /nfs/dbraw/zinc/82/26/01/1194822601.db2.gz IFJSBKYNMSZWLE-DLBZAZTESA-N 2 0 376.505 0.008 20 0 GCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414801046 1194825913 /nfs/dbraw/zinc/82/59/13/1194825913.db2.gz ZIJCLXNVGQXRPL-MRXNPFEDSA-N 2 0 391.516 0.366 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414803173 1194826665 /nfs/dbraw/zinc/82/66/65/1194826665.db2.gz LULVYCCFGYDTEZ-UHFFFAOYSA-N 2 0 399.495 0.037 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434353545 1194841370 /nfs/dbraw/zinc/84/13/70/1194841370.db2.gz WMZYSUMQLACNOR-IBGZPJMESA-N 2 0 381.565 0.693 20 0 GCADRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000434573162 1194851619 /nfs/dbraw/zinc/85/16/19/1194851619.db2.gz DRHKRUYANWNKDA-HNNXBMFYSA-N 2 0 383.537 0.781 20 0 GCADRP O=C(C[C@@H]1CSCC[NH2+]1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000434878714 1194875573 /nfs/dbraw/zinc/87/55/73/1194875573.db2.gz FHMBKDLQFQZAQZ-MRXNPFEDSA-N 2 0 378.546 0.590 20 0 GCADRP COc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1OCC(=O)N1CCCC1 ZINC000414860729 1194879363 /nfs/dbraw/zinc/87/93/63/1194879363.db2.gz DETJDVKQDXGQHA-UHFFFAOYSA-N 2 0 376.501 0.691 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000514622943 1194888995 /nfs/dbraw/zinc/88/89/95/1194888995.db2.gz ZJAHYORHPYMAFO-SJLPKXTDSA-N 2 0 394.560 0.671 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000664475361 1194895609 /nfs/dbraw/zinc/89/56/09/1194895609.db2.gz PSBFUXJWZRRHLJ-ROUUACIJSA-N 2 0 397.564 0.416 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000664475358 1194895821 /nfs/dbraw/zinc/89/58/21/1194895821.db2.gz PSBFUXJWZRRHLJ-MSOLQXFVSA-N 2 0 397.564 0.416 20 0 GCADRP [NH3+]C1(CNC(=O)c2cn([C@H]3CCOC3)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000514725040 1194897991 /nfs/dbraw/zinc/89/79/91/1194897991.db2.gz IWKZDGQYGDXZFY-KRWDZBQOSA-N 2 0 384.484 0.963 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CC2)CC1 ZINC000514787640 1194909136 /nfs/dbraw/zinc/90/91/36/1194909136.db2.gz UABRJHVHAYBZCK-GOSISDBHSA-N 2 0 381.565 0.909 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000514886524 1194925333 /nfs/dbraw/zinc/92/53/33/1194925333.db2.gz DRNJGTDGXNMSLG-FPAYPSAMSA-N 2 0 391.560 0.070 20 0 GCADRP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000435386916 1194926564 /nfs/dbraw/zinc/92/65/64/1194926564.db2.gz WEUJOEFNJZSISB-INIZCTEOSA-N 2 0 392.500 0.497 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[NH+](C)C[C@H]43)CC2)CCO1 ZINC000425385717 1194936534 /nfs/dbraw/zinc/93/65/34/1194936534.db2.gz KYBHVKAXBUNUFZ-XYJFISCASA-N 2 0 378.517 0.251 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000515049812 1194941766 /nfs/dbraw/zinc/94/17/66/1194941766.db2.gz UBMJJXQQKZTDGL-LJQANCHMSA-N 2 0 387.528 0.525 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000515073865 1194945722 /nfs/dbraw/zinc/94/57/22/1194945722.db2.gz LPPQSZYMXSYWLV-WMZOPIPTSA-N 2 0 389.500 0.471 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000515474430 1194977456 /nfs/dbraw/zinc/97/74/56/1194977456.db2.gz SDIHKBPQVHACAW-GOSISDBHSA-N 2 0 382.549 0.938 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000515523260 1194982408 /nfs/dbraw/zinc/98/24/08/1194982408.db2.gz MQBCRKNDRVUHED-SJORKVTESA-N 2 0 379.549 0.864 20 0 GCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC(=O)NC(=O)NCc1cccs1 ZINC000436057401 1194982560 /nfs/dbraw/zinc/98/25/60/1194982560.db2.gz VTIZYZITFZZNJM-ZDUSSCGKSA-N 2 0 381.502 0.393 20 0 GCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000436066620 1194983757 /nfs/dbraw/zinc/98/37/57/1194983757.db2.gz ZMJITXTXNFNTOC-KRWDZBQOSA-N 2 0 389.500 0.722 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000436129124 1194986688 /nfs/dbraw/zinc/98/66/88/1194986688.db2.gz VYYYEIDRBMQSDY-IAGOWNOFSA-N 2 0 397.564 0.416 20 0 GCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000436142592 1194987209 /nfs/dbraw/zinc/98/72/09/1194987209.db2.gz FKAYTOGPCXRDCM-MRXNPFEDSA-N 2 0 397.564 0.416 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000515908123 1195008496 /nfs/dbraw/zinc/00/84/96/1195008496.db2.gz YVLHXFOBTDWICA-MOPGFXCFSA-N 2 0 394.560 0.719 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000286681418 1195009921 /nfs/dbraw/zinc/00/99/21/1195009921.db2.gz SJZOEJFWDGJIHP-WDSOQIARSA-N 2 0 388.512 0.603 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000516071054 1195020358 /nfs/dbraw/zinc/02/03/58/1195020358.db2.gz BFHKJSFNLWNPLK-SFHVURJKSA-N 2 0 393.576 0.509 20 0 GCADRP O=C(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000516964881 1195120156 /nfs/dbraw/zinc/12/01/56/1195120156.db2.gz BASNCXOWYGINFW-JQVVWYNYSA-N 2 0 382.508 0.931 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425879976 1195145411 /nfs/dbraw/zinc/14/54/11/1195145411.db2.gz JLEWMHAJOZMXQM-RBUKOAKNSA-N 2 0 388.512 0.414 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000517198475 1195150598 /nfs/dbraw/zinc/15/05/98/1195150598.db2.gz FCTYYBQADXSSLT-QZTJIDSGSA-N 2 0 380.533 0.329 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCCO1 ZINC000517424034 1195181808 /nfs/dbraw/zinc/18/18/08/1195181808.db2.gz ZHQUGGSWXNTMQS-QGZVFWFLSA-N 2 0 382.549 0.842 20 0 GCADRP COC(=O)CN(C)C(=O)CC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425994063 1195212797 /nfs/dbraw/zinc/21/27/97/1195212797.db2.gz FLPHXJZXQQXTRI-FQEVSTJZSA-N 2 0 377.485 0.577 20 0 GCADRP CC[NH+]1CCC(N(C)C(=O)COCC(=O)N(C)C2CC[NH+](CC)CC2)CC1 ZINC000517938166 1195230369 /nfs/dbraw/zinc/23/03/69/1195230369.db2.gz XHFJFGYELGIIBC-UHFFFAOYSA-N 2 0 382.549 0.888 20 0 GCADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000426162970 1195252661 /nfs/dbraw/zinc/25/26/61/1195252661.db2.gz UMFKWWWIUMXEJV-GOSISDBHSA-N 2 0 381.565 0.273 20 0 GCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000414975455 1195277685 /nfs/dbraw/zinc/27/76/85/1195277685.db2.gz LRCLHQMGKPLTNT-YOEHRIQHSA-N 2 0 387.484 0.410 20 0 GCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000506467178 1195278545 /nfs/dbraw/zinc/27/85/45/1195278545.db2.gz FNTJOELLUBVUDA-IBGZPJMESA-N 3 0 378.521 0.206 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000439287746 1195304493 /nfs/dbraw/zinc/30/44/93/1195304493.db2.gz XKZBYPXDQITTEP-MOPGFXCFSA-N 2 0 381.565 0.645 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000518578350 1195305392 /nfs/dbraw/zinc/30/53/92/1195305392.db2.gz GAFMOKSIQFYVKR-GOSISDBHSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000439347450 1195311315 /nfs/dbraw/zinc/31/13/15/1195311315.db2.gz VVIGAIFJLBNPCI-KRWDZBQOSA-N 2 0 387.528 0.925 20 0 GCADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000439393626 1195317369 /nfs/dbraw/zinc/31/73/69/1195317369.db2.gz GEDZRSFJVDJFPY-OAHLLOKOSA-N 2 0 389.500 0.903 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000518802356 1195335733 /nfs/dbraw/zinc/33/57/33/1195335733.db2.gz ALDBCYNZBUZALL-PKOBYXMFSA-N 2 0 391.560 0.214 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000518832846 1195337731 /nfs/dbraw/zinc/33/77/31/1195337731.db2.gz WYAKOSHTSBBYJR-IKGGRYGDSA-N 2 0 378.517 0.299 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506640899 1195339084 /nfs/dbraw/zinc/33/90/84/1195339084.db2.gz CEYFXFXFKNMTTP-INIZCTEOSA-N 2 0 383.537 0.339 20 0 GCADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C(=O)N1CCOCC1 ZINC000439651354 1195339338 /nfs/dbraw/zinc/33/93/38/1195339338.db2.gz ZYWFFJGLZKEYKN-QZTJIDSGSA-N 2 0 397.564 0.681 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000518950548 1195349572 /nfs/dbraw/zinc/34/95/72/1195349572.db2.gz SRFYBDSIPYOGAZ-IAGOWNOFSA-N 2 0 381.565 0.365 20 0 GCADRP Cn1ccnc1[C@@](O)(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(F)(F)F ZINC000729435072 1195349926 /nfs/dbraw/zinc/34/99/26/1195349926.db2.gz GEKRIWCPUNYREI-HNNXBMFYSA-N 2 0 379.427 0.512 20 0 GCADRP COc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000426548323 1195373392 /nfs/dbraw/zinc/37/33/92/1195373392.db2.gz MBWYOHUNBKCTNW-WNKDZCFJSA-N 2 0 387.532 0.801 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426562317 1195381384 /nfs/dbraw/zinc/38/13/84/1195381384.db2.gz RJZVXBNWNKPDTL-QZTJIDSGSA-N 2 0 382.549 0.899 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426562319 1195382148 /nfs/dbraw/zinc/38/21/48/1195382148.db2.gz RJZVXBNWNKPDTL-ZWKOTPCHSA-N 2 0 382.549 0.899 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426571261 1195384575 /nfs/dbraw/zinc/38/45/75/1195384575.db2.gz TYHVDKCEVVVILN-QYZOEREBSA-N 2 0 382.549 0.756 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)[NH+](C)C)c1 ZINC000550029561 1195408493 /nfs/dbraw/zinc/40/84/93/1195408493.db2.gz RFWMZZRDYVQELJ-QAPCUYQASA-N 2 0 376.501 0.967 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550030327 1195415096 /nfs/dbraw/zinc/41/50/96/1195415096.db2.gz GDVKRIVZHMHJOS-IBGZPJMESA-N 2 0 399.539 0.273 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000550093754 1195433747 /nfs/dbraw/zinc/43/37/47/1195433747.db2.gz FGCARBVNKZDYFU-RCCFBDPRSA-N 2 0 382.549 0.696 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000550095943 1195434562 /nfs/dbraw/zinc/43/45/62/1195434562.db2.gz JGWGFRAAQAAWOQ-MSOLQXFVSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550098527 1195434579 /nfs/dbraw/zinc/43/45/79/1195434579.db2.gz VTOCPIDLDSZOSL-MSOLQXFVSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000550098553 1195434780 /nfs/dbraw/zinc/43/47/80/1195434780.db2.gz WFVCTCSWIJSFGT-RBUKOAKNSA-N 2 0 396.576 0.944 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095284 1195435191 /nfs/dbraw/zinc/43/51/91/1195435191.db2.gz GCTAMXYCZXPQGI-QZTJIDSGSA-N 2 0 382.549 0.650 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000550096910 1195435288 /nfs/dbraw/zinc/43/52/88/1195435288.db2.gz NMQHFNNPOUXQLD-QZTJIDSGSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000550096908 1195435543 /nfs/dbraw/zinc/43/55/43/1195435543.db2.gz NMQHFNNPOUXQLD-MSOLQXFVSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000550096830 1195435558 /nfs/dbraw/zinc/43/55/58/1195435558.db2.gz LXLYKQMJKNGKKV-KRWDZBQOSA-N 2 0 382.549 0.698 20 0 GCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120490990 1195439152 /nfs/dbraw/zinc/43/91/52/1195439152.db2.gz NVHQRIGDVSYAAN-FZDBZEDMSA-N 2 0 382.549 0.600 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550115095 1195440776 /nfs/dbraw/zinc/44/07/76/1195440776.db2.gz KILRLFJFUJIWOW-IBGZPJMESA-N 2 0 390.528 0.934 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000550133226 1195445580 /nfs/dbraw/zinc/44/55/80/1195445580.db2.gz NUQMWPOWJLLJQE-MOPGFXCFSA-N 2 0 394.560 0.861 20 0 GCADRP CC1CC[NH+](CCNC(=O)CC(O)CC(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000550138972 1195446929 /nfs/dbraw/zinc/44/69/29/1195446929.db2.gz NMUATEQLRNSPAY-UHFFFAOYSA-N 2 0 396.576 0.824 20 0 GCADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000550137523 1195446935 /nfs/dbraw/zinc/44/69/35/1195446935.db2.gz FEIYDEFQLZDQHS-AEFFLSMTSA-N 2 0 380.533 0.737 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000550178298 1195454506 /nfs/dbraw/zinc/45/45/06/1195454506.db2.gz DLODJIPRQOLZFM-KSZLIROESA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)CC1=O ZINC000426885960 1195489432 /nfs/dbraw/zinc/48/94/32/1195489432.db2.gz HHSZGPAVBHDVEP-NVXWUHKLSA-N 2 0 392.500 0.337 20 0 GCADRP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427025498 1195501680 /nfs/dbraw/zinc/50/16/80/1195501680.db2.gz BKPFCHUYMSMEQP-UHFFFAOYSA-N 2 0 376.505 0.889 20 0 GCADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC[C@H](C(=O)N(C)CC[NH+]2CCCC2)O1 ZINC000427067524 1195503254 /nfs/dbraw/zinc/50/32/54/1195503254.db2.gz PRQYJJPSQGSVIX-QZTJIDSGSA-N 2 0 380.533 0.642 20 0 GCADRP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507397961 1195515981 /nfs/dbraw/zinc/51/59/81/1195515981.db2.gz BVRJKVKRNBEFMJ-OAHLLOKOSA-N 2 0 396.532 0.176 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)n2)CC1 ZINC000427258684 1195521211 /nfs/dbraw/zinc/52/12/11/1195521211.db2.gz UIWHWICNZDLSMC-QGZVFWFLSA-N 2 0 388.516 1.175 20 0 GCADRP CS(=O)(=O)C1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000638804880 1195550587 /nfs/dbraw/zinc/55/05/87/1195550587.db2.gz YOBZKURUIRVWTQ-KRWDZBQOSA-N 2 0 379.526 0.792 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000550309974 1195558293 /nfs/dbraw/zinc/55/82/93/1195558293.db2.gz QXLQRPNQGWNTMD-UHFFFAOYSA-N 2 0 382.549 0.843 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550312154 1195570288 /nfs/dbraw/zinc/57/02/88/1195570288.db2.gz OEQCFTUZJIQFMB-IRXDYDNUSA-N 2 0 382.549 0.792 20 0 GCADRP CCn1nccc1N1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000519856324 1195577993 /nfs/dbraw/zinc/57/79/93/1195577993.db2.gz PTDPQBYMQUXPTK-MRXNPFEDSA-N 2 0 393.536 0.533 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000520218942 1195607502 /nfs/dbraw/zinc/60/75/02/1195607502.db2.gz JEHCFNDBJMJSBU-NRFANRHFSA-N 2 0 376.545 0.607 20 0 GCADRP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647971287 1195634050 /nfs/dbraw/zinc/63/40/50/1195634050.db2.gz OMGAICMORSWZFQ-HIFRSBDPSA-N 2 0 380.514 0.983 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000550362414 1195644231 /nfs/dbraw/zinc/64/42/31/1195644231.db2.gz NZJODYWFLBYRFT-MJGOQNOKSA-N 2 0 393.576 0.460 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1)N1CC[NH+](C)CC1 ZINC000550380896 1195648582 /nfs/dbraw/zinc/64/85/82/1195648582.db2.gz CEWVOGDGTTWDOW-RTBURBONSA-N 2 0 395.592 0.613 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000550380854 1195648646 /nfs/dbraw/zinc/64/86/46/1195648646.db2.gz BJZVTUJMMLBMOD-MSOLQXFVSA-N 2 0 397.608 0.857 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC1 ZINC000550378861 1195648893 /nfs/dbraw/zinc/64/88/93/1195648893.db2.gz VAMXEHZHJVCTFU-UHFFFAOYSA-N 2 0 380.533 0.738 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)N1CC[NH+](C)CC1 ZINC000550386642 1195653420 /nfs/dbraw/zinc/65/34/20/1195653420.db2.gz KYBCFBDMTQASCL-QGZVFWFLSA-N 2 0 381.565 0.365 20 0 GCADRP COC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000188944101 1195741528 /nfs/dbraw/zinc/74/15/28/1195741528.db2.gz OXQKKAWKRJSLPI-SFHVURJKSA-N 2 0 382.549 0.698 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520514652 1195777973 /nfs/dbraw/zinc/77/79/73/1195777973.db2.gz SVHGWBQFKSJQQR-KZNAEPCWSA-N 2 0 380.533 0.546 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771815 1195852637 /nfs/dbraw/zinc/85/26/37/1195852637.db2.gz BSONHHSLKYSYML-RTBURBONSA-N 2 0 385.512 0.821 20 0 GCADRP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CC[C@@H](C(=O)N(C)CC[N@H+](C)C2CC2)O1 ZINC000427821118 1195881847 /nfs/dbraw/zinc/88/18/47/1195881847.db2.gz AQEHVPSIJCEHJZ-ROUUACIJSA-N 2 0 380.533 0.639 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000441870662 1195926864 /nfs/dbraw/zinc/92/68/64/1195926864.db2.gz QMFASSKMOUFZFL-UHFFFAOYSA-N 2 0 391.516 0.067 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000442167141 1195959139 /nfs/dbraw/zinc/95/91/39/1195959139.db2.gz XSQCHJABIWOGPX-LPHOPBHVSA-N 2 0 387.528 0.971 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000550456293 1195961336 /nfs/dbraw/zinc/96/13/36/1195961336.db2.gz ILRAHEZLKPXJBC-ROUUACIJSA-N 2 0 398.548 0.029 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000550455603 1195965009 /nfs/dbraw/zinc/96/50/09/1195965009.db2.gz ASXGPYGAANSZHI-KURKYZTESA-N 2 0 380.533 0.402 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000550455604 1195965478 /nfs/dbraw/zinc/96/54/78/1195965478.db2.gz ASXGPYGAANSZHI-KZNAEPCWSA-N 2 0 380.533 0.402 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000550457392 1195968138 /nfs/dbraw/zinc/96/81/38/1195968138.db2.gz QWKOVSQPNOGXHZ-NCXUSEDFSA-N 2 0 396.576 0.942 20 0 GCADRP Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000442329910 1195976829 /nfs/dbraw/zinc/97/68/29/1195976829.db2.gz FMEFXJHXEYUPBI-CQSZACIVSA-N 2 0 387.484 0.932 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000550457780 1195984472 /nfs/dbraw/zinc/98/44/72/1195984472.db2.gz NWQDBEJOCQFMKQ-FGTMMUONSA-N 2 0 382.549 0.791 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000550458975 1195986519 /nfs/dbraw/zinc/98/65/19/1195986519.db2.gz UOGMGEKMASBELS-FUHWJXTLSA-N 2 0 380.533 0.593 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000521318932 1195987931 /nfs/dbraw/zinc/98/79/31/1195987931.db2.gz VLYYSVMEFHLMPW-QZTJIDSGSA-N 2 0 394.560 0.794 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442669589 1195998728 /nfs/dbraw/zinc/99/87/28/1195998728.db2.gz HHUZJACEIAJKCA-UHFFFAOYSA-N 2 0 396.580 0.208 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442761042 1196001528 /nfs/dbraw/zinc/00/15/28/1196001528.db2.gz OTOSBVNFKUUPRK-HOTGVXAUSA-N 2 0 383.514 0.755 20 0 GCADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061370 1196017606 /nfs/dbraw/zinc/01/76/06/1196017606.db2.gz RJTHDRDIEDXEID-GOEBONIOSA-N 2 0 382.530 0.442 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000522014940 1196034391 /nfs/dbraw/zinc/03/43/91/1196034391.db2.gz RSPHNEXLOGGOED-BVBHFADKSA-N 2 0 385.512 0.850 20 0 GCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000522002289 1196034764 /nfs/dbraw/zinc/03/47/64/1196034764.db2.gz RCRUHFRNMSDLOT-HUUCEWRRSA-N 2 0 376.501 0.502 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000522002290 1196034777 /nfs/dbraw/zinc/03/47/77/1196034777.db2.gz RCRUHFRNMSDLOT-LSDHHAIUSA-N 2 0 376.501 0.502 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@]12CCC(=O)N1CCS2 ZINC000522118691 1196045027 /nfs/dbraw/zinc/04/50/27/1196045027.db2.gz YQLYAICZSAGYAI-LJQANCHMSA-N 2 0 389.525 0.775 20 0 GCADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550481406 1196052656 /nfs/dbraw/zinc/05/26/56/1196052656.db2.gz NNOMTPHQTFZRNY-UHFFFAOYSA-N 2 0 395.592 0.757 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnnn1CC1CC1 ZINC000474089844 1196070775 /nfs/dbraw/zinc/07/07/75/1196070775.db2.gz QIUNXLYNRLUWJR-MRXNPFEDSA-N 2 0 378.525 0.641 20 0 GCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550519417 1196072237 /nfs/dbraw/zinc/07/22/37/1196072237.db2.gz OETHZFNCFJIBGB-SFHVURJKSA-N 2 0 395.592 0.757 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000522288848 1196073015 /nfs/dbraw/zinc/07/30/15/1196073015.db2.gz LQOUDNHCKIRCCP-OAHLLOKOSA-N 2 0 399.561 0.753 20 0 GCADRP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895297343 1196079181 /nfs/dbraw/zinc/07/91/81/1196079181.db2.gz CDWPQQJZAXHAGA-ZWKOTPCHSA-N 2 0 396.532 0.108 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574895 1196091078 /nfs/dbraw/zinc/09/10/78/1196091078.db2.gz JMHHBWYXRLGDMA-IXDOHACOSA-N 2 0 382.549 0.839 20 0 GCADRP COCC[NH2+]CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000417893106 1196094580 /nfs/dbraw/zinc/09/45/80/1196094580.db2.gz DNDFXNGFMFTETO-UHFFFAOYSA-N 2 0 383.924 0.997 20 0 GCADRP CCCC[N@H+](C)CC1CCN(CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000114475625 1196100432 /nfs/dbraw/zinc/10/04/32/1196100432.db2.gz XZRCFZXDOFXIIS-UHFFFAOYSA-N 2 0 379.505 0.765 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cn1 ZINC000474318848 1196108193 /nfs/dbraw/zinc/10/81/93/1196108193.db2.gz RRLAQAKSFCGURJ-UHFFFAOYSA-N 2 0 384.484 0.501 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)C2)CC1 ZINC000896324866 1196142538 /nfs/dbraw/zinc/14/25/38/1196142538.db2.gz KPYTYNKUBCQORK-JQHSSLGASA-N 2 0 381.517 0.972 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)no2)C[C@H]1C[NH+](C)C ZINC000896386725 1196146493 /nfs/dbraw/zinc/14/64/93/1196146493.db2.gz NUHNZZLZZAJDIB-GHMZBOCLSA-N 2 0 378.399 0.969 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)O2)CC[NH+]1C ZINC000332991520 1196146782 /nfs/dbraw/zinc/14/67/82/1196146782.db2.gz BXCZVHUEALGEKE-NWCWSAAOSA-N 2 0 380.533 0.732 20 0 GCADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC000896468179 1196149336 /nfs/dbraw/zinc/14/93/36/1196149336.db2.gz NMORBHSLQFJUKO-GGPKGHCWSA-N 2 0 379.549 0.376 20 0 GCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896468163 1196149419 /nfs/dbraw/zinc/14/94/19/1196149419.db2.gz NBKQBZWWTDMKJL-CEXWTWQISA-N 2 0 379.549 0.661 20 0 GCADRP C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@H+](C)CCN1C ZINC000896532503 1196153657 /nfs/dbraw/zinc/15/36/57/1196153657.db2.gz LRBYLTZFIDFGFS-KBXCAEBGSA-N 2 0 388.516 0.668 20 0 GCADRP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000329178969 1196172230 /nfs/dbraw/zinc/17/22/30/1196172230.db2.gz CWOWXCQGOCJCPA-IEWDOMPSSA-N 2 0 396.576 0.725 20 0 GCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC(O)CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000329178968 1196172469 /nfs/dbraw/zinc/17/24/69/1196172469.db2.gz CWOWXCQGOCJCPA-FPAYPSAMSA-N 2 0 396.576 0.725 20 0 GCADRP O=C(C[C@H](O)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000329214854 1196177018 /nfs/dbraw/zinc/17/70/18/1196177018.db2.gz LULJQZXXMTZQPG-BWTSREIZSA-N 2 0 392.544 0.521 20 0 GCADRP CC1(C)CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1CCO ZINC000665460173 1196178444 /nfs/dbraw/zinc/17/84/44/1196178444.db2.gz BIXXEZWBDGUKCM-UHFFFAOYSA-N 2 0 382.549 0.976 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)oc1C ZINC000281730162 1196327558 /nfs/dbraw/zinc/32/75/58/1196327558.db2.gz XNBKJGCQFWNNQE-CQSZACIVSA-N 2 0 386.518 0.724 20 0 GCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000281762266 1196329478 /nfs/dbraw/zinc/32/94/78/1196329478.db2.gz ASOLTTYVNGAPQW-UHFFFAOYSA-N 2 0 389.544 0.871 20 0 GCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)Cn1cncc1C ZINC000985055416 1196336560 /nfs/dbraw/zinc/33/65/60/1196336560.db2.gz DXQNAWKTSFMGFA-YYIAUSFCSA-N 2 0 377.489 0.406 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000444205529 1196362452 /nfs/dbraw/zinc/36/24/52/1196362452.db2.gz MTCHXOSPKPMYPT-UHFFFAOYSA-N 2 0 393.517 0.309 20 0 GCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000444272350 1196369940 /nfs/dbraw/zinc/36/99/40/1196369940.db2.gz VXHOMAUTMGYCJJ-KSSFIOAISA-N 2 0 380.493 0.032 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000522985979 1196373366 /nfs/dbraw/zinc/37/33/66/1196373366.db2.gz YFMLRHLLJXEPNG-VQTJNVASSA-N 2 0 389.544 0.995 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000522985977 1196373471 /nfs/dbraw/zinc/37/34/71/1196373471.db2.gz YFMLRHLLJXEPNG-PMACEKPBSA-N 2 0 389.544 0.995 20 0 GCADRP CO[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H]1OC ZINC000487466168 1196391205 /nfs/dbraw/zinc/39/12/05/1196391205.db2.gz CWJGWAVLMVLBNQ-QZTJIDSGSA-N 2 0 377.489 0.649 20 0 GCADRP C[NH+](C)CCNC(=S)NCc1ccc(CNC(=S)NCC[NH+](C)C)cc1 ZINC000007572033 1196429500 /nfs/dbraw/zinc/42/95/00/1196429500.db2.gz MLHFNXDABHNNAB-UHFFFAOYSA-N 2 0 396.630 0.738 20 0 GCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1OC ZINC000523565937 1196533382 /nfs/dbraw/zinc/53/33/82/1196533382.db2.gz GWXUYQPLVDMZNI-UHFFFAOYSA-N 2 0 387.502 0.596 20 0 GCADRP CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)CC1 ZINC000445015125 1196536116 /nfs/dbraw/zinc/53/61/16/1196536116.db2.gz BWFYGINERMATFU-OAHLLOKOSA-N 2 0 389.500 0.356 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626767 1196537831 /nfs/dbraw/zinc/53/78/31/1196537831.db2.gz QJHUPPUKBZSREX-ROUUACIJSA-N 2 0 397.564 0.585 20 0 GCADRP CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000523655363 1196542447 /nfs/dbraw/zinc/54/24/47/1196542447.db2.gz LDRKQVPQCIJPNE-UHFFFAOYSA-N 2 0 387.550 0.611 20 0 GCADRP C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC3CC[NH+](C)CC3)c[nH]2)CC1 ZINC000523706243 1196548405 /nfs/dbraw/zinc/54/84/05/1196548405.db2.gz APUZQYSHHXBIBX-UHFFFAOYSA-N 2 0 383.518 0.211 20 0 GCADRP CN(C[C@H]1CCC[NH+](C)C1)C(=O)COCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000523741021 1196555364 /nfs/dbraw/zinc/55/53/64/1196555364.db2.gz RQMFFUCOKIQKES-ROUUACIJSA-N 2 0 382.549 0.603 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COCC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000523741019 1196555387 /nfs/dbraw/zinc/55/53/87/1196555387.db2.gz RQMFFUCOKIQKES-HDICACEKSA-N 2 0 382.549 0.603 20 0 GCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000445929276 1196601148 /nfs/dbraw/zinc/60/11/48/1196601148.db2.gz YJTJYPNSYQYXIH-UHFFFAOYSA-N 2 0 389.500 0.423 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000524563888 1196605483 /nfs/dbraw/zinc/60/54/83/1196605483.db2.gz MTERLMRAWLGDLE-IAGOWNOFSA-N 2 0 395.548 0.374 20 0 GCADRP CC[NH+](C)C[C@H]1CCN(C(=O)COCC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000524698787 1196615980 /nfs/dbraw/zinc/61/59/80/1196615980.db2.gz YDLMTVWRQOXWSB-QZTJIDSGSA-N 2 0 382.549 0.603 20 0 GCADRP Cc1ccc(C(=O)NCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000524937469 1196639506 /nfs/dbraw/zinc/63/95/06/1196639506.db2.gz LUTMEAZXFLCVAE-UHFFFAOYSA-N 2 0 381.496 0.999 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)C1 ZINC000525280696 1196663228 /nfs/dbraw/zinc/66/32/28/1196663228.db2.gz USGOOVMZSQIIJH-HNNXBMFYSA-N 2 0 378.473 0.532 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000525452001 1196683050 /nfs/dbraw/zinc/68/30/50/1196683050.db2.gz HXGZOWGCEQHLBQ-GOSISDBHSA-N 2 0 387.594 0.329 20 0 GCADRP COCCO[C@@H]1C[C@H](CO)CN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000447065474 1196690752 /nfs/dbraw/zinc/69/07/52/1196690752.db2.gz ANZWWYJMHUZXRM-FUHWJXTLSA-N 2 0 379.505 0.074 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000525684501 1196699838 /nfs/dbraw/zinc/69/98/38/1196699838.db2.gz UFDAKFOXFMEOBD-RCCFBDPRSA-N 2 0 379.549 0.199 20 0 GCADRP CNS(=O)(=O)c1ccc(C)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525884669 1196720675 /nfs/dbraw/zinc/72/06/75/1196720675.db2.gz ZZULBSVBCAFVMK-UHFFFAOYSA-N 2 0 385.534 0.860 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000525882396 1196720738 /nfs/dbraw/zinc/72/07/38/1196720738.db2.gz CARNZERPUAWJAO-UHFFFAOYSA-N 2 0 387.488 0.217 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000525882757 1196720869 /nfs/dbraw/zinc/72/08/69/1196720869.db2.gz MFPQDYSXZBCUQU-UHFFFAOYSA-N 2 0 389.500 0.469 20 0 GCADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000447436102 1196722640 /nfs/dbraw/zinc/72/26/40/1196722640.db2.gz UDNNFAJKDGQXSK-HZPDHXFCSA-N 2 0 393.557 0.800 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000526169962 1196743148 /nfs/dbraw/zinc/74/31/48/1196743148.db2.gz VXNZQZIVGGWVBQ-INIZCTEOSA-N 2 0 390.488 0.394 20 0 GCADRP CCS(=O)(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000526132133 1196744129 /nfs/dbraw/zinc/74/41/29/1196744129.db2.gz CNGWPBUEKSVGCT-UHFFFAOYSA-N 2 0 398.529 0.371 20 0 GCADRP COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(OC)c1 ZINC000526945215 1196750126 /nfs/dbraw/zinc/75/01/26/1196750126.db2.gz AKFPVSGEONHPOG-UHFFFAOYSA-N 2 0 387.502 0.596 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000527126736 1196765265 /nfs/dbraw/zinc/76/52/65/1196765265.db2.gz UCIAHHYDLQFEFJ-UHFFFAOYSA-N 2 0 390.488 0.696 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000527124363 1196767338 /nfs/dbraw/zinc/76/73/38/1196767338.db2.gz RTNAMERXFKPYIK-UHFFFAOYSA-N 2 0 383.880 0.329 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000527375462 1196784862 /nfs/dbraw/zinc/78/48/62/1196784862.db2.gz YSPHQGGEBHFVOZ-UHFFFAOYSA-N 2 0 385.534 0.693 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000448532774 1196814088 /nfs/dbraw/zinc/81/40/88/1196814088.db2.gz PBXHAVXCNXWRGG-KRWDZBQOSA-N 2 0 384.484 0.774 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000529382691 1196919010 /nfs/dbraw/zinc/91/90/10/1196919010.db2.gz VCBHSWXGEYALKC-LJQANCHMSA-N 2 0 375.517 0.434 20 0 GCADRP c1nc(NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450796123 1196954513 /nfs/dbraw/zinc/95/45/13/1196954513.db2.gz VGCIWAAJBATIRB-USTZCAOPSA-N 2 0 388.516 1.027 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000450973709 1196963261 /nfs/dbraw/zinc/96/32/61/1196963261.db2.gz SSWPWEPQNRHWQR-UHFFFAOYSA-N 2 0 395.529 0.817 20 0 GCADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000451087849 1196969727 /nfs/dbraw/zinc/96/97/27/1196969727.db2.gz VLYHZZKTPWTFFJ-UXPWSPDFSA-N 2 0 382.593 0.681 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000530880860 1197022792 /nfs/dbraw/zinc/02/27/92/1197022792.db2.gz VKCUYFSDAWXBPM-UHFFFAOYSA-N 2 0 375.473 0.304 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000530880318 1197022831 /nfs/dbraw/zinc/02/28/31/1197022831.db2.gz YSOXWMTYCZONEH-UHFFFAOYSA-N 2 0 387.484 0.210 20 0 GCADRP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000452011543 1197031247 /nfs/dbraw/zinc/03/12/47/1197031247.db2.gz GULQMYCJDKGMRE-HZPDHXFCSA-N 2 0 387.488 0.559 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000451995466 1197032678 /nfs/dbraw/zinc/03/26/78/1197032678.db2.gz WZSDZHIFWJXQDQ-QGZVFWFLSA-N 2 0 390.528 0.948 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000531118581 1197047680 /nfs/dbraw/zinc/04/76/80/1197047680.db2.gz GJIDCBXGEIYQQI-UHFFFAOYSA-N 2 0 382.530 0.693 20 0 GCADRP C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000531118490 1197047794 /nfs/dbraw/zinc/04/77/94/1197047794.db2.gz IEYHRIOYSHZWNI-BEFAXECRSA-N 2 0 381.521 0.439 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000531759066 1197095122 /nfs/dbraw/zinc/09/51/22/1197095122.db2.gz DWVWILKWQNLGAM-RTBURBONSA-N 2 0 381.565 0.691 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000532027650 1197107166 /nfs/dbraw/zinc/10/71/66/1197107166.db2.gz ZIHOYILOPKJJQD-RBUKOAKNSA-N 2 0 381.565 0.689 20 0 GCADRP CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000532027691 1197107193 /nfs/dbraw/zinc/10/71/93/1197107193.db2.gz GFTNFBJKGCCESW-IPMKNSEASA-N 2 0 398.548 0.089 20 0 GCADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000453802373 1197137973 /nfs/dbraw/zinc/13/79/73/1197137973.db2.gz COVDVKTWPSFDHL-INIZCTEOSA-N 2 0 378.521 1.010 20 0 GCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453804523 1197138613 /nfs/dbraw/zinc/13/86/13/1197138613.db2.gz HZMQGTDLMGLCGR-SFHVURJKSA-N 2 0 376.501 0.692 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000453806933 1197139236 /nfs/dbraw/zinc/13/92/36/1197139236.db2.gz BGQPMKAMZVKEQH-QGZVFWFLSA-N 2 0 392.500 0.529 20 0 GCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986138241 1197148046 /nfs/dbraw/zinc/14/80/46/1197148046.db2.gz UZJODODNZLONHF-XMTFNYHQSA-N 2 0 385.512 0.926 20 0 GCADRP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCN(c2cnccn2)CC1 ZINC000170784171 1197155104 /nfs/dbraw/zinc/15/51/04/1197155104.db2.gz LMNIXPSRXPYLST-UHFFFAOYSA-N 2 0 388.516 0.169 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000453917368 1197157841 /nfs/dbraw/zinc/15/78/41/1197157841.db2.gz MNTUHBNNNDJIMQ-WMLDXEAASA-N 2 0 387.484 0.678 20 0 GCADRP CC(C)[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000176190287 1197185848 /nfs/dbraw/zinc/18/58/48/1197185848.db2.gz HJOZKBAPMLOQLW-LJQANCHMSA-N 2 0 381.565 0.765 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000177971519 1197192930 /nfs/dbraw/zinc/19/29/30/1197192930.db2.gz QCTGLPRBSIAKPJ-SFHVURJKSA-N 2 0 377.533 0.809 20 0 GCADRP C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1(N2CCOCC2)CCCC1 ZINC000178823095 1197196564 /nfs/dbraw/zinc/19/65/64/1197196564.db2.gz HAAMOQAKZMJKEO-HNNXBMFYSA-N 2 0 376.505 0.966 20 0 GCADRP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812045 1197254673 /nfs/dbraw/zinc/25/46/73/1197254673.db2.gz DIOZOAHSQHHAIG-QGZVFWFLSA-N 2 0 389.544 0.871 20 0 GCADRP COc1c(C)cnc(CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000785414654 1197280405 /nfs/dbraw/zinc/28/04/05/1197280405.db2.gz LGCRVIMCIYBZLF-INIZCTEOSA-N 2 0 392.500 0.796 20 0 GCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000897463167 1197338612 /nfs/dbraw/zinc/33/86/12/1197338612.db2.gz BSTJZCNOJMKPNB-QGZVFWFLSA-N 2 0 389.500 0.347 20 0 GCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000332969889 1197348346 /nfs/dbraw/zinc/34/83/46/1197348346.db2.gz LHYDNIBUAMVZFB-DLBZAZTESA-N 2 0 381.521 0.045 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000532655891 1197361284 /nfs/dbraw/zinc/36/12/84/1197361284.db2.gz KADRVKLDDKCBOB-HXUWFJFHSA-N 2 0 395.548 0.829 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CCN1c1cc[nH+]cc1 ZINC000897474835 1197365308 /nfs/dbraw/zinc/36/53/08/1197365308.db2.gz CMJVLLCOWAUFEM-HNAYVOBHSA-N 2 0 391.541 0.672 20 0 GCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000564040170 1197385786 /nfs/dbraw/zinc/38/57/86/1197385786.db2.gz ZXSUHAAAUJJFCX-GOSISDBHSA-N 2 0 376.501 0.280 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000897493900 1197402475 /nfs/dbraw/zinc/40/24/75/1197402475.db2.gz ILWANQNIEILGSL-LJQANCHMSA-N 2 0 395.592 0.711 20 0 GCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000897494179 1197402614 /nfs/dbraw/zinc/40/26/14/1197402614.db2.gz NAKQAEKGYDWNFF-GOSISDBHSA-N 2 0 393.576 0.463 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419121002 1197411031 /nfs/dbraw/zinc/41/10/31/1197411031.db2.gz MACLVUHSQYJVRR-DLBZAZTESA-N 2 0 395.548 0.213 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419347128 1197417765 /nfs/dbraw/zinc/41/77/65/1197417765.db2.gz WICAMVQUBWGDTG-LJQANCHMSA-N 2 0 387.528 0.309 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419515850 1197421078 /nfs/dbraw/zinc/42/10/78/1197421078.db2.gz SIEVNVYZQJYRAF-GOSISDBHSA-N 2 0 389.544 0.595 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)CC1 ZINC000532918859 1197421796 /nfs/dbraw/zinc/42/17/96/1197421796.db2.gz IFZIRZCIMZTOOB-SFHVURJKSA-N 2 0 393.576 0.414 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CCCC2)CC1 ZINC000419750794 1197427242 /nfs/dbraw/zinc/42/72/42/1197427242.db2.gz JBCCFHDDDKYRGH-JKSUJKDBSA-N 2 0 380.533 0.722 20 0 GCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245941171 1197440151 /nfs/dbraw/zinc/44/01/51/1197440151.db2.gz UWGLOCDISNDNOG-MSOLQXFVSA-N 2 0 380.533 0.642 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCOC)CC2)CC1=O ZINC000246326668 1197463963 /nfs/dbraw/zinc/46/39/63/1197463963.db2.gz AQFQERTVXCFOLT-WMZOPIPTSA-N 2 0 380.533 0.546 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1=O ZINC000246351706 1197465407 /nfs/dbraw/zinc/46/54/07/1197465407.db2.gz DDQFQRZUYMXZJO-OTWHNJEPSA-N 2 0 394.560 0.792 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246415796 1197469533 /nfs/dbraw/zinc/46/95/33/1197469533.db2.gz LOBWZXRCBBPEDI-GBESFXJTSA-N 2 0 393.576 0.319 20 0 GCADRP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262129410 1197526042 /nfs/dbraw/zinc/52/60/42/1197526042.db2.gz NQSDAWIERYNUJR-KRWDZBQOSA-N 2 0 376.501 0.690 20 0 GCADRP O=C(CC[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1)N1CC[NH2+]CC1 ZINC000262146702 1197526599 /nfs/dbraw/zinc/52/65/99/1197526599.db2.gz OYMTWDMOPLEZHI-UHFFFAOYSA-N 2 0 376.476 0.724 20 0 GCADRP O=C(CN1CCN(CCC(=O)N2CC[NH2+]CC2)CC1)Nc1ccccc1Cl ZINC000262194721 1197527162 /nfs/dbraw/zinc/52/71/62/1197527162.db2.gz RUXODOKGWTWKJF-UHFFFAOYSA-N 2 0 393.919 0.718 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cn1 ZINC000262275379 1197527855 /nfs/dbraw/zinc/52/78/55/1197527855.db2.gz KZGBEJPFPABJNJ-FLOBVVSRSA-N 2 0 376.505 0.653 20 0 GCADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262303588 1197529312 /nfs/dbraw/zinc/52/93/12/1197529312.db2.gz BXFFYDQYKQFYNM-PKOBYXMFSA-N 2 0 386.496 0.170 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CCO1 ZINC000643487630 1197532995 /nfs/dbraw/zinc/53/29/95/1197532995.db2.gz UZAZXEHKBAMHHG-WMLDXEAASA-N 2 0 380.464 0.291 20 0 GCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCF ZINC000282298505 1198963418 /nfs/dbraw/zinc/96/34/18/1198963418.db2.gz WWSNRSCDUINWOZ-OAHLLOKOSA-N 2 0 380.468 0.367 20 0 GCADRP COC[C@@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001735 1198995697 /nfs/dbraw/zinc/99/56/97/1198995697.db2.gz GOIOFZRJMPTXOD-SFHVURJKSA-N 2 0 389.500 0.347 20 0 GCADRP C[C@@H]1COCCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001769 1198995729 /nfs/dbraw/zinc/99/57/29/1198995729.db2.gz DXNXFGHKQLUMKP-QGZVFWFLSA-N 2 0 389.500 0.347 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672007884 1198999236 /nfs/dbraw/zinc/99/92/36/1198999236.db2.gz FUVABHOKYJXJOP-OAHLLOKOSA-N 2 0 389.500 0.585 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672003503 1198999293 /nfs/dbraw/zinc/99/92/93/1198999293.db2.gz LKZGVMADIUCIOV-SFHVURJKSA-N 2 0 376.501 0.414 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009472 1199001908 /nfs/dbraw/zinc/00/19/08/1199001908.db2.gz IDOUWYAVLRHBQL-DOTOQJQBSA-N 2 0 379.549 0.118 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000672007786 1199002417 /nfs/dbraw/zinc/00/24/17/1199002417.db2.gz DUELAZIDDDQJHV-ZYSHUDEJSA-N 2 0 394.560 0.717 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010308 1199004691 /nfs/dbraw/zinc/00/46/91/1199004691.db2.gz UWVVUIMQPQKHRI-ZHALLVOQSA-N 2 0 393.576 0.317 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000672010334 1199004799 /nfs/dbraw/zinc/00/47/99/1199004799.db2.gz NJBMEYAYBZHBNB-MJGOQNOKSA-N 2 0 393.576 0.461 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013525 1199005262 /nfs/dbraw/zinc/00/52/62/1199005262.db2.gz FETASLUNYQKHKS-HNNXBMFYSA-N 2 0 382.549 0.839 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672014989 1199005868 /nfs/dbraw/zinc/00/58/68/1199005868.db2.gz ZQZBJGMYRQWOHH-MRXNPFEDSA-N 2 0 382.549 0.839 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000155977758 1199027125 /nfs/dbraw/zinc/02/71/25/1199027125.db2.gz BGGLJPLRHVHOCZ-CRAIPNDOSA-N 2 0 388.516 0.859 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000155977887 1199027432 /nfs/dbraw/zinc/02/74/32/1199027432.db2.gz BGGLJPLRHVHOCZ-QAPCUYQASA-N 2 0 388.516 0.859 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000465852693 1199087909 /nfs/dbraw/zinc/08/79/09/1199087909.db2.gz XICHUZFVTXIJJK-MSOLQXFVSA-N 2 0 397.564 0.681 20 0 GCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672098389 1199089197 /nfs/dbraw/zinc/08/91/97/1199089197.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 2 0 381.565 0.460 20 0 GCADRP C[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000465866158 1199141838 /nfs/dbraw/zinc/14/18/38/1199141838.db2.gz JJVDIFZGDAEQDA-KRWDZBQOSA-N 2 0 396.580 0.112 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672203828 1199158428 /nfs/dbraw/zinc/15/84/28/1199158428.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000265777147 1199170194 /nfs/dbraw/zinc/17/01/94/1199170194.db2.gz UPIGQCSTNZXSGR-QZTJIDSGSA-N 2 0 375.517 0.798 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000656333044 1199177107 /nfs/dbraw/zinc/17/71/07/1199177107.db2.gz YLWJRGITGVEPDX-KRWDZBQOSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656358178 1199189039 /nfs/dbraw/zinc/18/90/39/1199189039.db2.gz IZBDTRFKRXKULL-XMTFNYHQSA-N 2 0 380.533 0.735 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000672305718 1199197971 /nfs/dbraw/zinc/19/79/71/1199197971.db2.gz APXLLSMANHWFOS-OTWHNJEPSA-N 2 0 392.544 0.471 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672305372 1199198337 /nfs/dbraw/zinc/19/83/37/1199198337.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 2 0 391.560 0.214 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000672305719 1199198453 /nfs/dbraw/zinc/19/84/53/1199198453.db2.gz APXLLSMANHWFOS-QRVBRYPASA-N 2 0 392.544 0.471 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000672311222 1199201090 /nfs/dbraw/zinc/20/10/90/1199201090.db2.gz BLEKJPXMYAZELV-FQEVSTJZSA-N 2 0 384.524 0.974 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000672310125 1199201479 /nfs/dbraw/zinc/20/14/79/1199201479.db2.gz HWGFIKKDKYFQOL-MRXNPFEDSA-N 2 0 387.484 0.339 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000672310124 1199202014 /nfs/dbraw/zinc/20/20/14/1199202014.db2.gz HWGFIKKDKYFQOL-INIZCTEOSA-N 2 0 387.484 0.339 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310470 1199203408 /nfs/dbraw/zinc/20/34/08/1199203408.db2.gz VNMFJUGYTCYKDP-RDJZCZTQSA-N 2 0 378.517 0.299 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000672358017 1199215750 /nfs/dbraw/zinc/21/57/50/1199215750.db2.gz NXFNFBGSGSEDGV-OALUTQOASA-N 2 0 388.512 0.556 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000672513264 1199253624 /nfs/dbraw/zinc/25/36/24/1199253624.db2.gz FOUWRWYARSZFCH-QGZVFWFLSA-N 2 0 395.548 0.034 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC2CC[NH+](C)CC2)C1 ZINC001002790604 1199269656 /nfs/dbraw/zinc/26/96/56/1199269656.db2.gz NPEDFIJACNYAOS-AHCXZYCDSA-N 2 0 378.517 0.297 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672593335 1199276198 /nfs/dbraw/zinc/27/61/98/1199276198.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 2 0 379.549 0.212 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672637819 1199292084 /nfs/dbraw/zinc/29/20/84/1199292084.db2.gz CUKKXEIDGBRUIM-WMZOPIPTSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295757 /nfs/dbraw/zinc/29/57/57/1199295757.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 2 0 391.560 0.214 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297727 /nfs/dbraw/zinc/29/77/27/1199297727.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643050 1199305895 /nfs/dbraw/zinc/30/58/95/1199305895.db2.gz NNLLWSQBRZWBBZ-HKUYNNGSSA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642834 1199306184 /nfs/dbraw/zinc/30/61/84/1199306184.db2.gz VXTYWSJGDIOIBQ-QGZVFWFLSA-N 2 0 393.576 0.509 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672690094 1199316702 /nfs/dbraw/zinc/31/67/02/1199316702.db2.gz NIRRTICCWWMXHF-IAGOWNOFSA-N 2 0 380.533 0.594 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000672693403 1199317466 /nfs/dbraw/zinc/31/74/66/1199317466.db2.gz VYMXQSZBZNFULY-NEWSRXKRSA-N 2 0 394.560 0.861 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672692645 1199317590 /nfs/dbraw/zinc/31/75/90/1199317590.db2.gz HIHOPNDJQWGLLR-HKUYNNGSSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627342669 1199466027 /nfs/dbraw/zinc/46/60/27/1199466027.db2.gz MOKQKTDRZXLRFV-AEFFLSMTSA-N 2 0 376.501 0.447 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000466147494 1199496235 /nfs/dbraw/zinc/49/62/35/1199496235.db2.gz SPBOJRFUBSMJKT-PMACEKPBSA-N 3 0 396.624 0.927 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000673307635 1199532149 /nfs/dbraw/zinc/53/21/49/1199532149.db2.gz BPCQWKPQNWGSHO-RBUKOAKNSA-N 2 0 393.576 0.606 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000673307735 1199533294 /nfs/dbraw/zinc/53/32/94/1199533294.db2.gz OJIPFISOGXJTEN-OKZBNKHCSA-N 2 0 382.549 0.983 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000265830303 1199537643 /nfs/dbraw/zinc/53/76/43/1199537643.db2.gz RWNPDSIAHHAPLV-UHFFFAOYSA-N 2 0 394.516 0.911 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000673325590 1199540541 /nfs/dbraw/zinc/54/05/41/1199540541.db2.gz BCMWPGXYEGIWJX-MJGOQNOKSA-N 2 0 390.528 0.802 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673351981 1199566955 /nfs/dbraw/zinc/56/69/55/1199566955.db2.gz CDNMQUTXYISJRA-UHFFFAOYSA-N 2 0 382.549 0.795 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446303 1199659596 /nfs/dbraw/zinc/65/95/96/1199659596.db2.gz VGEPWBRCMKARBG-IAGOWNOFSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N3CCN(C)CC3)nc1)C2 ZINC000922390019 1199771804 /nfs/dbraw/zinc/77/18/04/1199771804.db2.gz ZIZGMDAATYYIMA-BNDYYXHWSA-N 2 0 388.560 0.798 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)O1 ZINC001004112705 1199777899 /nfs/dbraw/zinc/77/78/99/1199777899.db2.gz JCTBXFLVIPJJTQ-NPIHVYMDSA-N 2 0 397.479 0.915 20 0 GCADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000124148430 1199825534 /nfs/dbraw/zinc/82/55/34/1199825534.db2.gz UBXGLNVLGZMHDN-UHFFFAOYSA-N 2 0 395.592 0.709 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583049 1199829671 /nfs/dbraw/zinc/82/96/71/1199829671.db2.gz MQEGIBIGIFLKJA-KURKYZTESA-N 2 0 378.517 0.081 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000673586578 1199833302 /nfs/dbraw/zinc/83/33/02/1199833302.db2.gz NNTORNLXNIENLB-QRVBRYPASA-N 2 0 394.560 0.860 20 0 GCADRP Cc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673669776 1199926200 /nfs/dbraw/zinc/92/62/00/1199926200.db2.gz UELCWPJGHVPJJE-HNNXBMFYSA-N 2 0 380.514 0.541 20 0 GCADRP C[N@@H+]1CCCN(CCCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000673671509 1199926257 /nfs/dbraw/zinc/92/62/57/1199926257.db2.gz ZWQJURZCWAXZGC-UHFFFAOYSA-N 2 0 388.560 0.738 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000674030865 1200127701 /nfs/dbraw/zinc/12/77/01/1200127701.db2.gz OVSUTRGKBURVAI-OTWHNJEPSA-N 2 0 381.565 0.907 20 0 GCADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000625666208 1200130314 /nfs/dbraw/zinc/13/03/14/1200130314.db2.gz NZRNWLWDFKKFQA-NJYVYQBISA-N 2 0 386.540 0.855 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000675090499 1200351628 /nfs/dbraw/zinc/35/16/28/1200351628.db2.gz QPNGZEXEPSDILX-GOSISDBHSA-N 2 0 382.549 0.981 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@H](C)[NH2+]C)cc2)CC1 ZINC001118016362 1200432362 /nfs/dbraw/zinc/43/23/62/1200432362.db2.gz DIUNCTCAMYHYQV-INIZCTEOSA-N 2 0 375.517 0.877 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675817655 1200462030 /nfs/dbraw/zinc/46/20/30/1200462030.db2.gz WLDBXGYPDBVENI-MSOLQXFVSA-N 2 0 390.594 0.290 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc[nH]1 ZINC000804084163 1200491608 /nfs/dbraw/zinc/49/16/08/1200491608.db2.gz OKNOOMQSHLVNPD-MRXNPFEDSA-N 2 0 384.484 0.915 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000676169714 1200505237 /nfs/dbraw/zinc/50/52/37/1200505237.db2.gz YZYYLHJTHSPTTB-XWSJACJDSA-N 2 0 380.533 0.605 20 0 GCADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000676417947 1200557612 /nfs/dbraw/zinc/55/76/12/1200557612.db2.gz KCYPWMYVPQQQAT-IBGZPJMESA-N 2 0 390.528 0.650 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373338553 1200654517 /nfs/dbraw/zinc/65/45/17/1200654517.db2.gz SVUAVBQUIJOZOA-OAHLLOKOSA-N 2 0 376.505 1.079 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000374087664 1200659461 /nfs/dbraw/zinc/65/94/61/1200659461.db2.gz DSMOSWGHMLMDCP-UHFFFAOYSA-N 2 0 376.505 1.033 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)CCO1 ZINC000507148986 1200695602 /nfs/dbraw/zinc/69/56/02/1200695602.db2.gz YOAVPSFDZJGVSM-HNNXBMFYSA-N 2 0 398.467 0.918 20 0 GCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427101351 1200733860 /nfs/dbraw/zinc/73/38/60/1200733860.db2.gz PAJOOORLGKOBNI-INIZCTEOSA-N 2 0 390.532 1.325 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000477031729 1200790362 /nfs/dbraw/zinc/79/03/62/1200790362.db2.gz HZGFBYZNKMWUBV-SFHVURJKSA-N 2 0 395.592 0.850 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000477092871 1200820201 /nfs/dbraw/zinc/82/02/01/1200820201.db2.gz CYECRKGXIBPKCN-KRWDZBQOSA-N 2 0 381.565 0.319 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000477107505 1200826410 /nfs/dbraw/zinc/82/64/10/1200826410.db2.gz MYYJVCVBCCVISV-INIZCTEOSA-N 2 0 390.532 0.296 20 0 GCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427544437 1200880589 /nfs/dbraw/zinc/88/05/89/1200880589.db2.gz RZMACGIOVGDGIS-OAHLLOKOSA-N 2 0 376.505 0.889 20 0 GCADRP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377008 1200972472 /nfs/dbraw/zinc/97/24/72/1200972472.db2.gz DVWGXLVREUJAMY-QYZOEREBSA-N 2 0 388.512 0.955 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1=O ZINC000509395992 1200998547 /nfs/dbraw/zinc/99/85/47/1200998547.db2.gz FKWOQGKMMDCOGY-IBGZPJMESA-N 2 0 394.560 0.748 20 0 GCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448484615 1201072643 /nfs/dbraw/zinc/07/26/43/1201072643.db2.gz SYIHOZRLIUYWSW-MRXNPFEDSA-N 2 0 378.521 1.012 20 0 GCADRP CC(C)C[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000073967073 1201184125 /nfs/dbraw/zinc/18/41/25/1201184125.db2.gz WEHNFQOKHGJTRB-UHFFFAOYSA-N 2 0 382.549 0.603 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699387 1201302007 /nfs/dbraw/zinc/30/20/07/1201302007.db2.gz TZOUCFUCQSYGOL-BSDSXHPESA-N 2 0 376.501 0.431 20 0 GCADRP CC(C)NC(=O)CNC(=S)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000727276545 1201354171 /nfs/dbraw/zinc/35/41/71/1201354171.db2.gz AXDIYHAWMUQDJI-UHFFFAOYSA-N 2 0 378.546 0.582 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084357105 1201410487 /nfs/dbraw/zinc/41/04/87/1201410487.db2.gz IABTVOLALCWNMM-YYIAUSFCSA-N 2 0 391.516 0.191 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001085202373 1201633625 /nfs/dbraw/zinc/63/36/25/1201633625.db2.gz ZITINAJBSJBYKB-KLHDSHLOSA-N 2 0 393.532 0.674 20 0 GCADRP CN(c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000737088731 1201720368 /nfs/dbraw/zinc/72/03/68/1201720368.db2.gz OTBLXDKIKZRGMM-SFHVURJKSA-N 2 0 391.516 0.194 20 0 GCADRP C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000741253782 1201769519 /nfs/dbraw/zinc/76/95/19/1201769519.db2.gz XKMXDKGVOZFXSU-OAHLLOKOSA-N 2 0 379.505 0.936 20 0 GCADRP [NH3+][C@@H](CO)Cc1cncn1-c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001169074791 1201932075 /nfs/dbraw/zinc/93/20/75/1201932075.db2.gz ODBPZTDKKWVCCH-QGZVFWFLSA-N 2 0 398.511 0.830 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001169167748 1201934686 /nfs/dbraw/zinc/93/46/86/1201934686.db2.gz KZYOTIARQBJZOT-GJZGRUSLSA-N 2 0 376.505 0.534 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=[NH2+])SCC[NH3+] ZINC001169172178 1201937056 /nfs/dbraw/zinc/93/70/56/1201937056.db2.gz LDUQPQFONOZWBQ-LLVKDONJSA-N 2 0 381.506 0.209 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C)([NH3+])CC1 ZINC001169181723 1201937947 /nfs/dbraw/zinc/93/79/47/1201937947.db2.gz SQUZBSCNWSJHJS-AWEZNQCLSA-N 2 0 376.505 0.806 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2nccn2CC1 ZINC001169208578 1201938162 /nfs/dbraw/zinc/93/81/62/1201938162.db2.gz OZWZYJRILIDLKP-HNNXBMFYSA-N 2 0 399.499 0.747 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001169205591 1201940107 /nfs/dbraw/zinc/94/01/07/1201940107.db2.gz FYCSBJPZJCJCTA-HRCADAONSA-N 2 0 388.516 0.486 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])CO1 ZINC001169318889 1201942118 /nfs/dbraw/zinc/94/21/18/1201942118.db2.gz FVVJXTJSTXGAEM-SJORKVTESA-N 2 0 376.494 0.475 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CO1 ZINC001169347822 1201942521 /nfs/dbraw/zinc/94/25/21/1201942521.db2.gz CMWCENOLVWDTML-KDOFPFPSSA-N 2 0 384.473 0.693 20 0 GCADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398616 1201945972 /nfs/dbraw/zinc/94/59/72/1201945972.db2.gz SALNCVGGOFBVAA-BRSBDYLESA-N 2 0 397.516 0.208 20 0 GCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001109418071 1202041553 /nfs/dbraw/zinc/04/15/53/1202041553.db2.gz WPURLDMVRYHEQH-WCVJEAGWSA-N 2 0 377.489 0.134 20 0 GCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001109418168 1202041607 /nfs/dbraw/zinc/04/16/07/1202041607.db2.gz ZYOSCUMWVLDVDT-NCOADZHNSA-N 2 0 376.501 0.731 20 0 GCADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485055 1202061424 /nfs/dbraw/zinc/06/14/24/1202061424.db2.gz IHLRFXVLTZDPLZ-BDXSIMOUSA-N 2 0 381.517 0.360 20 0 GCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001109655212 1202098997 /nfs/dbraw/zinc/09/89/97/1202098997.db2.gz LKYTZVODYPXCFB-ILXRZTDVSA-N 2 0 379.505 0.380 20 0 GCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001109688187 1202104266 /nfs/dbraw/zinc/10/42/66/1202104266.db2.gz BAXAEEPZIUVVMM-WBTNSWJXSA-N 2 0 379.505 0.236 20 0 GCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001109688295 1202104337 /nfs/dbraw/zinc/10/43/37/1202104337.db2.gz HHSCICKAQZRRDU-QLCXLMDBSA-N 2 0 380.533 0.277 20 0 GCADRP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[NH+]1CCCC1 ZINC001109735409 1202115168 /nfs/dbraw/zinc/11/51/68/1202115168.db2.gz FRAHMAFFWHDQRD-MHORFTMASA-N 2 0 376.505 0.501 20 0 GCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCC(F)(F)F ZINC001110017624 1202176035 /nfs/dbraw/zinc/17/60/35/1202176035.db2.gz FUMAYXUDSMDONC-KBXIAJHMSA-N 2 0 381.439 0.990 20 0 GCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787668129 1205398219 /nfs/dbraw/zinc/39/82/19/1205398219.db2.gz DAQMWZUEPCHCAH-WMZOPIPTSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787910563 1205407186 /nfs/dbraw/zinc/40/71/86/1205407186.db2.gz ONZYQTSVHOUDJC-FGTMMUONSA-N 2 0 380.533 0.594 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000790209527 1205458757 /nfs/dbraw/zinc/45/87/57/1205458757.db2.gz OGFUIYFJQLLRQG-ZWKOTPCHSA-N 2 0 381.565 0.367 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000790209521 1205459013 /nfs/dbraw/zinc/45/90/13/1205459013.db2.gz OGFUIYFJQLLRQG-MSOLQXFVSA-N 2 0 381.565 0.367 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790273886 1205461542 /nfs/dbraw/zinc/46/15/42/1205461542.db2.gz OLMXRJKVYRQXJR-KSZLIROESA-N 2 0 378.517 0.489 20 0 GCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncccc2C(=O)NCCC[NH+](C)C)O1 ZINC001170277441 1205490158 /nfs/dbraw/zinc/49/01/58/1205490158.db2.gz KYBWCAUIRWKYPT-MDZRGWNJSA-N 2 0 379.505 0.900 20 0 GCADRP COc1nccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170388490 1205491300 /nfs/dbraw/zinc/49/13/00/1205491300.db2.gz NBZKFILXGXXAEI-SLUQVRSJSA-N 2 0 397.520 0.759 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C[NH3+])ccn2)[C@H](O)OC(C)(C)C)C1 ZINC001170387439 1205491322 /nfs/dbraw/zinc/49/13/22/1205491322.db2.gz GPRYUTAKEZEFQD-BEIYGRMHSA-N 3 0 395.548 0.814 20 0 GCADRP Cc1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])[n+]([O-])c1 ZINC001170391095 1205491339 /nfs/dbraw/zinc/49/13/39/1205491339.db2.gz LBTYPWGFTYCAAQ-FYAJOAKPSA-N 2 0 396.532 0.902 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc(C[NH3+])n2)[C@@H](O)OC(C)(C)C)C1 ZINC001170401040 1205491808 /nfs/dbraw/zinc/49/18/08/1205491808.db2.gz VHRCZOSFECXEIW-KWFCSAJOSA-N 3 0 395.548 0.814 20 0 GCADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)CC1 ZINC001157731127 1205491909 /nfs/dbraw/zinc/49/19/09/1205491909.db2.gz SCJFCAVLIFGARQ-KXBFYZLASA-N 2 0 379.480 0.989 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000793718019 1205503353 /nfs/dbraw/zinc/50/33/53/1205503353.db2.gz AEAQOSYGOIPAII-IAGOWNOFSA-N 2 0 395.548 0.036 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[NH+](C)C)cc1 ZINC000793717048 1205503520 /nfs/dbraw/zinc/50/35/20/1205503520.db2.gz DGGVIOHSIFHRDF-FHWLQOOXSA-N 2 0 388.512 0.693 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000793700211 1205504275 /nfs/dbraw/zinc/50/42/75/1205504275.db2.gz MKEOJKUPKFKQHQ-INIZCTEOSA-N 2 0 391.516 0.629 20 0 GCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)([NH+](C)C)C1 ZINC000793815136 1205507255 /nfs/dbraw/zinc/50/72/55/1205507255.db2.gz WFQUWFTYPCCJCG-WWNBULGVSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)([NH+](C)C)C1 ZINC000793815139 1205507411 /nfs/dbraw/zinc/50/74/11/1205507411.db2.gz WFQUWFTYPCCJCG-YLAKUSLOSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793915349 1205509452 /nfs/dbraw/zinc/50/94/52/1205509452.db2.gz XSGIMLPBKYKAKA-ADHGMGHFSA-N 2 0 380.533 0.448 20 0 GCADRP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854989 1205521127 /nfs/dbraw/zinc/52/11/27/1205521127.db2.gz DRPLKUHDUQCGQO-TVFCKZIOSA-N 2 0 378.521 0.632 20 0 GCADRP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129858039 1205521144 /nfs/dbraw/zinc/52/11/44/1205521144.db2.gz MIZJYDYWUBWCPV-MLHJIOFPSA-N 2 0 378.521 0.777 20 0 GCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000806210528 1205551919 /nfs/dbraw/zinc/55/19/19/1205551919.db2.gz SLHUPVOBVFSGQP-SOLBZPMBSA-N 2 0 379.549 0.260 20 0 GCADRP CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC2 ZINC000806300075 1205553628 /nfs/dbraw/zinc/55/36/28/1205553628.db2.gz HPYBJECDTXYGQL-QGZVFWFLSA-N 2 0 392.548 0.909 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806502855 1205557871 /nfs/dbraw/zinc/55/78/71/1205557871.db2.gz JDLJXKMMOPDZNO-WDSOQIARSA-N 2 0 393.576 0.602 20 0 GCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000806505207 1205558007 /nfs/dbraw/zinc/55/80/07/1205558007.db2.gz VZBDXEBXRNUIMX-KSZLIROESA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+](C)CCn1ncc(C(=O)N2CCCN(CC(N)=O)CC2)c1-c1ccccc1 ZINC000806487435 1205558392 /nfs/dbraw/zinc/55/83/92/1205558392.db2.gz YTYXZICSSTXRMB-UHFFFAOYSA-N 2 0 398.511 0.745 20 0 GCADRP CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O2 ZINC000806707286 1205563823 /nfs/dbraw/zinc/56/38/23/1205563823.db2.gz PZOGXNLCEMHDBX-GNZRSQJKSA-N 2 0 398.548 0.376 20 0 GCADRP COCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)O1 ZINC001130783477 1205570201 /nfs/dbraw/zinc/57/02/01/1205570201.db2.gz ZWRCSGQATPZGNW-LXTVHRRPSA-N 2 0 380.493 0.217 20 0 GCADRP CCOC(=O)C1C[NH2+]CCC1=Nc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1 ZINC001170516756 1205573940 /nfs/dbraw/zinc/57/39/40/1205573940.db2.gz YBKIPTIQFVQOJM-UHFFFAOYSA-N 2 0 388.472 0.523 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000808344765 1205605659 /nfs/dbraw/zinc/60/56/59/1205605659.db2.gz WYBAHHUSZVKREK-NXHRZFHOSA-N 2 0 380.533 0.471 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NC)CC2)CC[N@@H+]1C ZINC001131500040 1205613324 /nfs/dbraw/zinc/61/33/24/1205613324.db2.gz GMIJXXFLQUEOGY-FAJBIJEISA-N 2 0 380.533 0.448 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001086700832 1205660659 /nfs/dbraw/zinc/66/06/59/1205660659.db2.gz ONXXHVZBLLVMSR-VVLHAWIVSA-N 2 0 390.532 0.913 20 0 GCADRP O=C(CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296863 1205689238 /nfs/dbraw/zinc/68/92/38/1205689238.db2.gz MLKJNZSVSCYHJT-IRXDYDNUSA-N 2 0 381.521 0.141 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C1C[C@@H]3COC[C@H](C1)N3C)CC2 ZINC001172136756 1205712765 /nfs/dbraw/zinc/71/27/65/1205712765.db2.gz IDSPQVNUMYUCGR-YQQQUEKLSA-N 2 0 393.576 0.018 20 0 GCADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173021144 1205718488 /nfs/dbraw/zinc/71/84/88/1205718488.db2.gz STZVZJZEOVCQFL-HUUCEWRRSA-N 2 0 379.457 0.532 20 0 GCADRP CCSC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001173290121 1205719656 /nfs/dbraw/zinc/71/96/56/1205719656.db2.gz AIRXEYBGDAKVRB-QGZVFWFLSA-N 2 0 382.567 0.759 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363191 1205719861 /nfs/dbraw/zinc/71/98/61/1205719861.db2.gz JOBNSQROQAIGFH-AYBZRNKSSA-N 2 0 379.480 0.911 20 0 GCADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173484323 1205721017 /nfs/dbraw/zinc/72/10/17/1205721017.db2.gz MGHNDDWTARJGRC-RBUKOAKNSA-N 2 0 388.512 0.670 20 0 GCADRP COC(=O)CCCC[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001173446265 1205721170 /nfs/dbraw/zinc/72/11/70/1205721170.db2.gz VGFPEWBKJFHLLA-QGZVFWFLSA-N 2 0 378.510 0.723 20 0 GCADRP COC(=O)[C@H]1C[C@H](NC(=[NH2+])NCCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001173484446 1205721326 /nfs/dbraw/zinc/72/13/26/1205721326.db2.gz ABJFRPRRNOHADT-HZPDHXFCSA-N 2 0 375.473 0.686 20 0 GCADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCO)CCN1C(=O)c1ccccc1 ZINC001173509065 1205722084 /nfs/dbraw/zinc/72/20/84/1205722084.db2.gz QFQKFIXVAYSQJT-ROUUACIJSA-N 2 0 377.485 0.737 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755730 1205727435 /nfs/dbraw/zinc/72/74/35/1205727435.db2.gz WBDPUFVNZGNYHJ-BRSBDYLESA-N 2 0 391.520 0.268 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173755944 1205727659 /nfs/dbraw/zinc/72/76/59/1205727659.db2.gz XEBJLZQKGYTGBD-KBPBESRZSA-N 2 0 388.476 0.495 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccon2)[C@H](O)OC(C)(C)C)C1 ZINC001177516945 1205770878 /nfs/dbraw/zinc/77/08/78/1205770878.db2.gz QNHXQHKCMVUPAB-GIVGJKMXSA-N 2 0 398.504 0.513 20 0 GCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)NCCN3CCC[N@@H+](C)CC3)CC2)CC1 ZINC001179015334 1205799673 /nfs/dbraw/zinc/79/96/73/1205799673.db2.gz WBHKTXKMRCYGBL-UHFFFAOYSA-N 2 0 393.576 0.463 20 0 GCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156796 1205803996 /nfs/dbraw/zinc/80/39/96/1205803996.db2.gz UHXRFCBVXQCMNT-LSDHHAIUSA-N 2 0 382.505 0.565 20 0 GCADRP CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3(C[NH3+])COC3)C2)CC1 ZINC001179380882 1205809373 /nfs/dbraw/zinc/80/93/73/1205809373.db2.gz WIGBIQQBXFZKJW-HNNXBMFYSA-N 2 0 396.532 0.942 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 ZINC001179544459 1205811676 /nfs/dbraw/zinc/81/16/76/1205811676.db2.gz MZNRQJYFSQKGKC-UGSOOPFHSA-N 2 0 383.493 0.829 20 0 GCADRP CC(C)[NH+]1CCN(CC(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001180344601 1205821936 /nfs/dbraw/zinc/82/19/36/1205821936.db2.gz CMWXASBJCQVJSX-UHFFFAOYSA-N 2 0 388.560 0.890 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001180377622 1205822657 /nfs/dbraw/zinc/82/26/57/1205822657.db2.gz OWBJWDXGZBSITB-UHFFFAOYSA-N 2 0 398.573 0.999 20 0 GCADRP CC(C)N(C(=O)CC[NH+]1CCC(C(N)=O)CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001180608591 1205828368 /nfs/dbraw/zinc/82/83/68/1205828368.db2.gz FMTFCAXCNCACRJ-UHFFFAOYSA-N 2 0 388.516 0.494 20 0 GCADRP Cc1ccc(N(C(=O)[C@@H]2CN(C)CCO2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761142 1205830110 /nfs/dbraw/zinc/83/01/10/1205830110.db2.gz XHIZRZXDRUDONT-JTDSTZFVSA-N 2 0 375.473 0.360 20 0 GCADRP C[C@H](O)CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181356011 1205842639 /nfs/dbraw/zinc/84/26/39/1205842639.db2.gz IUVRTGNRQSIAQH-WHLPPUOISA-N 2 0 375.510 0.053 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001181975266 1205853243 /nfs/dbraw/zinc/85/32/43/1205853243.db2.gz BNDMWUAQYZPDBG-GOSISDBHSA-N 2 0 393.576 0.414 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001182032836 1205854071 /nfs/dbraw/zinc/85/40/71/1205854071.db2.gz UYCGZWHWTGPRQK-WMZOPIPTSA-N 2 0 377.460 0.946 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001182031077 1205854077 /nfs/dbraw/zinc/85/40/77/1205854077.db2.gz LHNIJGKERPZREQ-KDOFPFPSSA-N 2 0 378.448 0.531 20 0 GCADRP COC(=O)[C@]1(NC(=O)C2(O)CC[NH+](C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001182035861 1205854165 /nfs/dbraw/zinc/85/41/65/1205854165.db2.gz HFAATRODXQNDCC-IBGZPJMESA-N 2 0 375.469 0.377 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC001182104412 1205857385 /nfs/dbraw/zinc/85/73/85/1205857385.db2.gz MXZKRNXUWXIQIZ-AWEZNQCLSA-N 2 0 383.518 0.905 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC001183308229 1205890840 /nfs/dbraw/zinc/89/08/40/1205890840.db2.gz GTWYDJPILCDXIE-CYBMUJFWSA-N 2 0 383.493 0.876 20 0 GCADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001183373365 1205891965 /nfs/dbraw/zinc/89/19/65/1205891965.db2.gz SLIUCQVZKKJYGD-SOLBZPMBSA-N 2 0 390.532 0.694 20 0 GCADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)C12CCC[NH+]1CCC2 ZINC001183560474 1205895008 /nfs/dbraw/zinc/89/50/08/1205895008.db2.gz BGELXPZNQKMNJD-UHFFFAOYSA-N 2 0 378.498 0.561 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[NH+]2C1 ZINC001185262300 1205920003 /nfs/dbraw/zinc/92/00/03/1205920003.db2.gz MEEMZPVRZVWWCR-IXDOHACOSA-N 2 0 395.548 0.290 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185902224 1205931873 /nfs/dbraw/zinc/93/18/73/1205931873.db2.gz WYTJATVTKXMISI-UHFFFAOYSA-N 2 0 396.927 0.794 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775045503 1205945294 /nfs/dbraw/zinc/94/52/94/1205945294.db2.gz UGEXVJSQWUPUIS-IPMKNSEASA-N 2 0 386.496 0.357 20 0 GCADRP CS(=O)(=O)c1cc(Br)ccc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001186823246 1205949723 /nfs/dbraw/zinc/94/97/23/1205949723.db2.gz KVUBJOWEKUXXSO-UHFFFAOYSA-N 2 0 391.291 0.927 20 0 GCADRP Cc1n[nH]cc1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001188061581 1205974765 /nfs/dbraw/zinc/97/47/65/1205974765.db2.gz IZIPQQGXVYVYJH-KISBBLTOSA-N 2 0 397.520 0.627 20 0 GCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(S(=O)(=O)CC4CC4)CC3)CC2)CC1 ZINC001188965374 1205993764 /nfs/dbraw/zinc/99/37/64/1205993764.db2.gz UMMMBNOUDWUJOK-UHFFFAOYSA-N 2 0 384.590 0.902 20 0 GCADRP CCc1n[nH]cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001190135370 1206026028 /nfs/dbraw/zinc/02/60/28/1206026028.db2.gz CIAMICSEPPCZSG-UHFFFAOYSA-N 2 0 376.505 0.283 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(N2CCOCC2)n1 ZINC001190765121 1206045919 /nfs/dbraw/zinc/04/59/19/1206045919.db2.gz QHUGWIPLAIQMGP-UHFFFAOYSA-N 2 0 378.521 0.659 20 0 GCADRP Cn1nnc2c1CCN(c1ncc3c(n1)CC[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164713498 720171780 /nfs/dbraw/zinc/17/17/80/720171780.db2.gz LMJKAYISEOCDHG-SFHVURJKSA-N 2 0 398.515 0.467 20 0 GCADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164741545 720609899 /nfs/dbraw/zinc/60/98/99/720609899.db2.gz LLPXPWGTRADVRZ-STQMWFEESA-N 2 0 387.875 0.908 20 0 GCADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164744392 720637650 /nfs/dbraw/zinc/63/76/50/720637650.db2.gz RZFPYQWDJCYUPZ-QWHCGFSZSA-N 2 0 387.875 0.908 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]2C1 ZINC001164850923 720840192 /nfs/dbraw/zinc/84/01/92/720840192.db2.gz FOTMSFXNFMQFSG-CJNGLKHVSA-N 2 0 381.908 0.949 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164848695 720841102 /nfs/dbraw/zinc/84/11/02/720841102.db2.gz AWOCVEMXRKKPIE-DLBZAZTESA-N 2 0 376.505 0.060 20 0 GCADRP C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1CC[NH2+]CC3)CCC2 ZINC001164999722 722250522 /nfs/dbraw/zinc/25/05/22/722250522.db2.gz AXCCAMAKJHDWPA-UHFFFAOYSA-N 2 0 385.516 0.850 20 0 GCADRP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264498 945485084 /nfs/dbraw/zinc/48/50/84/945485084.db2.gz QECVMIMIPHWCLO-GJZGRUSLSA-N 2 0 385.472 0.518 20 0 GCADRP Cc1cc(NC[C@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571271615 945645812 /nfs/dbraw/zinc/64/58/12/945645812.db2.gz FRZKWCXENBPTBE-PBHICJAKSA-N 2 0 386.504 0.981 20 0 GCADRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C)CC1 ZINC000824428196 946706996 /nfs/dbraw/zinc/70/69/96/946706996.db2.gz QQIYKYLXXIOTBA-OAHLLOKOSA-N 2 0 395.515 0.993 20 0 GCADRP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253335 949185135 /nfs/dbraw/zinc/18/51/35/949185135.db2.gz JVFUUOMJDRZPHP-KBPBESRZSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575253339 949185476 /nfs/dbraw/zinc/18/54/76/949185476.db2.gz JVFUUOMJDRZPHP-ZIAGYGMSSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263827 949411335 /nfs/dbraw/zinc/41/13/35/949411335.db2.gz JZJBXQNYNVMVDY-CHWSQXEVSA-N 2 0 387.463 0.894 20 0 GCADRP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575270113 949576176 /nfs/dbraw/zinc/57/61/76/949576176.db2.gz BEYMCMWVKCKZGV-GFCCVEGCSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181054 949984274 /nfs/dbraw/zinc/98/42/74/949984274.db2.gz GYEDGNDRNQWJLV-LSDHHAIUSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181047 949986952 /nfs/dbraw/zinc/98/69/52/949986952.db2.gz GYEDGNDRNQWJLV-CABCVRRESA-N 2 0 384.488 0.676 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576191379 950192601 /nfs/dbraw/zinc/19/26/01/950192601.db2.gz FQLLENIFBPHMTR-WMLDXEAASA-N 2 0 387.488 0.117 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192112 950228747 /nfs/dbraw/zinc/22/87/47/950228747.db2.gz JUJAXDLPWJGWQT-HOCLYGCPSA-N 2 0 387.488 0.117 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197393 950390976 /nfs/dbraw/zinc/39/09/76/950390976.db2.gz MVODMEDJMXZGPE-CABCVRRESA-N 2 0 384.488 0.676 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197394 950393431 /nfs/dbraw/zinc/39/34/31/950393431.db2.gz MVODMEDJMXZGPE-GJZGRUSLSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576204884 950483277 /nfs/dbraw/zinc/48/32/77/950483277.db2.gz DFZKOAFHOOBPSZ-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575918666 950600068 /nfs/dbraw/zinc/60/00/68/950600068.db2.gz DOICUEXGLUJNKN-ZBFHGGJFSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576207730 950600385 /nfs/dbraw/zinc/60/03/85/950600385.db2.gz IXHGZZYPESUENJ-ZDUSSCGKSA-N 2 0 375.452 0.896 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001576216134 950723756 /nfs/dbraw/zinc/72/37/56/950723756.db2.gz YRJASHDCTMTYCR-CKNFYHOISA-N 2 0 381.484 0.755 20 0 GCADRP C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574772629 950974423 /nfs/dbraw/zinc/97/44/23/950974423.db2.gz SZYJTFUISYMVKA-QWHCGFSZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078046 951677179 /nfs/dbraw/zinc/67/71/79/951677179.db2.gz JNEPOKVFUQKJJW-OCCSQVGLSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079729 951695786 /nfs/dbraw/zinc/69/57/86/951695786.db2.gz GAXPGSASECGBKR-MLGOLLRUSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079725 951695840 /nfs/dbraw/zinc/69/58/40/951695840.db2.gz GAXPGSASECGBKR-BLLLJJGKSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089068 951745410 /nfs/dbraw/zinc/74/54/10/951745410.db2.gz CYGDKXSYRKDIRP-SWLSCSKDSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089070 951745912 /nfs/dbraw/zinc/74/59/12/951745912.db2.gz CYGDKXSYRKDIRP-WFASDCNBSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575145013 952177325 /nfs/dbraw/zinc/17/73/25/952177325.db2.gz OEUJNPPKWMVAPR-CHWSQXEVSA-N 2 0 381.444 0.402 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120195 952500743 /nfs/dbraw/zinc/50/07/43/952500743.db2.gz JFBTZYVWKCRCBL-CPCZMJQVSA-N 2 0 375.502 0.864 20 0 GCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571190785 952944235 /nfs/dbraw/zinc/94/42/35/952944235.db2.gz LXCBRCRKFHHODX-RHSMWYFYSA-N 2 0 381.484 0.899 20 0 GCADRP Cc1cc(N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571213549 953097036 /nfs/dbraw/zinc/09/70/36/953097036.db2.gz RPTLKNDAEISRMF-ZFWWWQNUSA-N 2 0 382.472 0.489 20 0 GCADRP Cc1cc(NC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252363 953327869 /nfs/dbraw/zinc/32/78/69/953327869.db2.gz LNWSRGXYBFGYMB-KRWDZBQOSA-N 2 0 384.488 0.879 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252620 953330388 /nfs/dbraw/zinc/33/03/88/953330388.db2.gz RQPAOVNNHARQFT-XYPHTWIQSA-N 2 0 384.488 0.817 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccs1 ZINC000264873102 530169782 /nfs/dbraw/zinc/16/97/82/530169782.db2.gz GWPSJAOMMYWQLT-UHFFFAOYSA-N 2 0 390.575 0.758 20 0 GCADRP C[NH+](CC(=O)NCCCNC(=O)C[N@@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000583398209 530269625 /nfs/dbraw/zinc/26/96/25/530269625.db2.gz GHWPMCLGZHTXSJ-GJZGRUSLSA-N 2 0 388.603 0.484 20 0 GCADRP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414736011 530322684 /nfs/dbraw/zinc/32/26/84/530322684.db2.gz CNCRIPNRKPLSJS-GFCCVEGCSA-N 2 0 398.305 0.912 20 0 GCADRP CN1CCN(C(=O)COc2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000570799499 530325114 /nfs/dbraw/zinc/32/51/14/530325114.db2.gz RIRTUTSMGIBVFH-GFCCVEGCSA-N 2 0 389.237 0.771 20 0 GCADRP C[C@H](CCN(C)C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580305661 530353792 /nfs/dbraw/zinc/35/37/92/530353792.db2.gz OSZPQHUJZJOQKL-CQSZACIVSA-N 2 0 391.559 0.640 20 0 GCADRP FC(F)(F)[C@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)N1CC[NH2+]CC1 ZINC000414963356 530460396 /nfs/dbraw/zinc/46/03/96/530460396.db2.gz ASCVJXPQXQNQOU-ZDUSSCGKSA-N 2 0 379.452 0.905 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1cc(Br)ccc1=O ZINC000103212783 530666547 /nfs/dbraw/zinc/66/65/47/530666547.db2.gz VMWNKLWGDFZBLJ-UHFFFAOYSA-N 2 0 387.322 0.953 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCC(=O)OC ZINC000470764006 530696121 /nfs/dbraw/zinc/69/61/21/530696121.db2.gz DUAWMDTYCCHJDL-OAHLLOKOSA-N 2 0 378.539 0.074 20 0 GCADRP CN1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@H](C[NH3+])C1 ZINC000579350931 530741515 /nfs/dbraw/zinc/74/15/15/530741515.db2.gz ABEWDJDCIUINMO-CABCVRRESA-N 2 0 395.301 0.903 20 0 GCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)CCCN1CCOCC1 ZINC000376949369 530820341 /nfs/dbraw/zinc/82/03/41/530820341.db2.gz OGIRSONNKOKPOV-IKGGRYGDSA-N 2 0 375.535 0.222 20 0 GCADRP CC(=O)NCc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000104102784 530924377 /nfs/dbraw/zinc/92/43/77/530924377.db2.gz DWNWPHSJWYZOEN-UHFFFAOYSA-N 2 0 376.548 0.498 20 0 GCADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000423391875 531017474 /nfs/dbraw/zinc/01/74/74/531017474.db2.gz PNWOAZDZUXNYBS-RISCZKNCSA-N 2 0 380.436 0.821 20 0 GCADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000321416900 531107777 /nfs/dbraw/zinc/10/77/77/531107777.db2.gz RYLLQSSZEAAURT-UHFFFAOYSA-N 2 0 380.290 0.794 20 0 GCADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000736769917 598285854 /nfs/dbraw/zinc/28/58/54/598285854.db2.gz XBIRRYPVGNRLNX-UHFFFAOYSA-N 2 0 384.492 0.273 20 0 GCADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736771428 598528220 /nfs/dbraw/zinc/52/82/20/598528220.db2.gz LEQIETBKGJKIOA-CQSZACIVSA-N 2 0 397.487 0.835 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821587171 606859251 /nfs/dbraw/zinc/85/92/51/606859251.db2.gz KBWKWSCIYZDHMD-QGZVFWFLSA-N 2 0 387.488 0.290 20 0 GCADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826073281 608020134 /nfs/dbraw/zinc/02/01/34/608020134.db2.gz MNUVCSGYLMDHMZ-TUAOUCFPSA-N 2 0 375.481 0.942 20 0 GCADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1-c1nn[nH]n1 ZINC000826073282 608020147 /nfs/dbraw/zinc/02/01/47/608020147.db2.gz MNUVCSGYLMDHMZ-UTUOFQBUSA-N 2 0 375.481 0.942 20 0 GCADRP C[C@@H](CNC(=S)NC1CC[NH+](C)CC1)NC(=S)NC1CC[NH+](C)CC1 ZINC000063142421 639637004 /nfs/dbraw/zinc/63/70/04/639637004.db2.gz YGXUIAABQMRVOW-ZDUSSCGKSA-N 2 0 386.635 0.492 20 0 GCADRP C[C@@H]1CN(C(=S)NCCC[NH+](C)C)CCN1C(=S)NCCC[NH+](C)C ZINC000747670102 640314365 /nfs/dbraw/zinc/31/43/65/640314365.db2.gz CLRJDLQSMRRGEH-OAHLLOKOSA-N 2 0 388.651 0.645 20 0 GCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000867590363 641359936 /nfs/dbraw/zinc/35/99/36/641359936.db2.gz QEERXZVOFLBYBU-GHMZBOCLSA-N 2 0 383.440 0.788 20 0 GCADRP Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022886 641432048 /nfs/dbraw/zinc/43/20/48/641432048.db2.gz CFBYZOFMIVFNIA-CHWSQXEVSA-N 2 0 388.559 0.515 20 0 GCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000872234814 641465715 /nfs/dbraw/zinc/46/57/15/641465715.db2.gz IMERSKAVBLORNK-ZIAGYGMSSA-N 2 0 384.318 0.951 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCS2)C[C@H]1C[NH+](C)C ZINC000875224658 641540841 /nfs/dbraw/zinc/54/08/41/641540841.db2.gz IAYPRKMQRUPGCZ-KFWWJZLASA-N 2 0 388.603 0.149 20 0 GCADRP COc1cc(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)sn1 ZINC000882470916 641720058 /nfs/dbraw/zinc/72/00/58/641720058.db2.gz CZLXOZFETDNKRY-CHWSQXEVSA-N 2 0 376.548 0.653 20 0 GCADRP CCC[C@@H](C(=O)OCC)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882471111 641720635 /nfs/dbraw/zinc/72/06/35/641720635.db2.gz JEVLANAWFZZQEK-OAGGEKHMSA-N 2 0 377.551 0.719 20 0 GCADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000925710193 641915638 /nfs/dbraw/zinc/91/56/38/641915638.db2.gz VXIMFZSFHCNWMF-YNOUVUFWSA-N 2 0 383.290 0.916 20 0 GCADRP Cn1ncc(I)c1C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925727518 641915933 /nfs/dbraw/zinc/91/59/33/641915933.db2.gz GWLWQZSPHKJJDS-JFYCNLTCSA-N 2 0 376.242 0.867 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662973340 1192174813 /nfs/dbraw/zinc/17/48/13/1192174813.db2.gz VZTDVPUDFQBOOT-SIKLNZKXSA-N 2 0 384.524 0.974 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000662983803 1192176431 /nfs/dbraw/zinc/17/64/31/1192176431.db2.gz MHHHMDKPFVKBLA-VSZNYVQBSA-N 2 0 379.549 0.057 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[C@H](C[NH3+])C1 ZINC000662983075 1192177438 /nfs/dbraw/zinc/17/74/38/1192177438.db2.gz IKVPMBZZOMISDZ-MSOLQXFVSA-N 2 0 393.576 0.448 20 0 GCADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017420 1192186141 /nfs/dbraw/zinc/18/61/41/1192186141.db2.gz JZFRREVSVRMBSC-KGLIPLIRSA-N 2 0 382.459 0.770 20 0 GCADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(=O)N1CCCCC1 ZINC000652347719 1192198660 /nfs/dbraw/zinc/19/86/60/1192198660.db2.gz KAOWERTXBFDBMF-WNRNVDISSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652354153 1192202821 /nfs/dbraw/zinc/20/28/21/1192202821.db2.gz OGGJUDAFDCRRBQ-QAPCUYQASA-N 2 0 396.557 0.832 20 0 GCADRP C[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354152 1192203013 /nfs/dbraw/zinc/20/30/13/1192203013.db2.gz OGGJUDAFDCRRBQ-MAUKXSAKSA-N 2 0 396.557 0.832 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000661986438 1192212322 /nfs/dbraw/zinc/21/23/22/1192212322.db2.gz HELOOYPAMZKUON-IEBWSBKVSA-N 2 0 380.533 0.994 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423435986 1192212723 /nfs/dbraw/zinc/21/27/23/1192212723.db2.gz FCORPBITDKEDRT-OAQYLSRUSA-N 2 0 392.544 0.692 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000652468717 1192229312 /nfs/dbraw/zinc/22/93/12/1192229312.db2.gz PERMFLGEDGQZTF-GOSISDBHSA-N 2 0 382.549 0.890 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000652471960 1192229482 /nfs/dbraw/zinc/22/94/82/1192229482.db2.gz OXEDGHVDSAJVOP-UHFFFAOYSA-N 2 0 382.549 0.890 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@@H](Cc2ccccc2)C1 ZINC000652527852 1192235780 /nfs/dbraw/zinc/23/57/80/1192235780.db2.gz BVRKJVODGDTCPO-UGKGYDQZSA-N 2 0 384.524 0.926 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000652623129 1192258143 /nfs/dbraw/zinc/25/81/43/1192258143.db2.gz BCOWNFMIIYXYLA-CVEARBPZSA-N 2 0 376.505 0.621 20 0 GCADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)cc1 ZINC000636702842 1192272462 /nfs/dbraw/zinc/27/24/62/1192272462.db2.gz ZUBPGDSTGAIDTN-RTBURBONSA-N 2 0 387.528 0.048 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c2ccccc2)CC1 ZINC000636719345 1192282885 /nfs/dbraw/zinc/28/28/85/1192282885.db2.gz QJDAUZVDSRWJEI-RBUKOAKNSA-N 2 0 375.517 0.341 20 0 GCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662455937 1192299460 /nfs/dbraw/zinc/29/94/60/1192299460.db2.gz SXYGVMSFZOMMRP-UHFFFAOYSA-N 2 0 376.505 0.968 20 0 GCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577114 1192313866 /nfs/dbraw/zinc/31/38/66/1192313866.db2.gz DHCVFVQLTMJKDM-FHWLQOOXSA-N 2 0 383.496 0.968 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000563092764 1192321357 /nfs/dbraw/zinc/32/13/57/1192321357.db2.gz KRQRZGBILBIOSM-CALCHBBNSA-N 2 0 377.537 0.648 20 0 GCADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000662684305 1192327575 /nfs/dbraw/zinc/32/75/75/1192327575.db2.gz ZSAICHFUQJPFPM-QGZVFWFLSA-N 2 0 376.505 0.777 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663514543 1192371599 /nfs/dbraw/zinc/37/15/99/1192371599.db2.gz ZQCHZTLCZUKJFF-SJORKVTESA-N 3 0 389.548 0.196 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000585688556 1192371632 /nfs/dbraw/zinc/37/16/32/1192371632.db2.gz WNBMUHSTGFXTRY-GOSISDBHSA-N 2 0 379.549 0.214 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652666928 1192389029 /nfs/dbraw/zinc/38/90/29/1192389029.db2.gz XTBAKRXSQJLWSP-GUDVDZBRSA-N 2 0 390.528 0.790 20 0 GCADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000663562302 1192390928 /nfs/dbraw/zinc/39/09/28/1192390928.db2.gz YULPGQPDXAYSCE-OALUTQOASA-N 2 0 381.565 0.811 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cn2)CC1 ZINC000663609937 1192414831 /nfs/dbraw/zinc/41/48/31/1192414831.db2.gz ACKZYORPJBEEMO-IRXDYDNUSA-N 2 0 376.505 0.040 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000663612363 1192416172 /nfs/dbraw/zinc/41/61/72/1192416172.db2.gz QHJFJRQTPUBXOX-PMACEKPBSA-N 2 0 389.544 0.640 20 0 GCADRP CC(C)(CO)[NH+]1CCN(c2cnc(N3CC[NH+](C(C)(C)CO)CC3)cn2)CC1 ZINC000663611912 1192417115 /nfs/dbraw/zinc/41/71/15/1192417115.db2.gz NEJAVZKLLKOGMT-UHFFFAOYSA-N 2 0 392.548 0.262 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652673309 1192429415 /nfs/dbraw/zinc/42/94/15/1192429415.db2.gz KUZWIADWCUDSLE-BCYZHJNNSA-N 2 0 394.560 0.968 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652681532 1192519955 /nfs/dbraw/zinc/51/99/55/1192519955.db2.gz MHYTWTQBQWDICV-FGTMMUONSA-N 2 0 382.549 0.681 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000187308255 1192523482 /nfs/dbraw/zinc/52/34/82/1192523482.db2.gz LHBBIJZSQUJDHE-MSOLQXFVSA-N 2 0 383.581 0.745 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652682266 1192523968 /nfs/dbraw/zinc/52/39/68/1192523968.db2.gz GKBXFRJGNQMUCR-OKZBNKHCSA-N 2 0 380.533 0.579 20 0 GCADRP C[C@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[NH2+]1 ZINC000418605938 1192525327 /nfs/dbraw/zinc/52/53/27/1192525327.db2.gz QAOKASPRPNLIOI-JQHSSLGASA-N 2 0 375.517 0.715 20 0 GCADRP C[C@H]1OCC[C@@]1(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279449442 1192541962 /nfs/dbraw/zinc/54/19/62/1192541962.db2.gz KORIRNVRRSWDMP-VQIMIIECSA-N 2 0 377.489 0.433 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000637477407 1192590750 /nfs/dbraw/zinc/59/07/50/1192590750.db2.gz UAEUXESSJVGTKM-ROUUACIJSA-N 2 0 377.533 0.951 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000512324517 1192604371 /nfs/dbraw/zinc/60/43/71/1192604371.db2.gz UOZIYSFJLOCBSL-SFHVURJKSA-N 2 0 396.557 0.963 20 0 GCADRP COCC1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000418619278 1192620169 /nfs/dbraw/zinc/62/01/69/1192620169.db2.gz PMXBQEGDPOFCKM-CYBMUJFWSA-N 2 0 381.443 0.138 20 0 GCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)C[C@H](C)O1 ZINC000500464017 1192622101 /nfs/dbraw/zinc/62/21/01/1192622101.db2.gz PDVNEVOTYPPMCN-IRXDYDNUSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CCN1C1CC[NH+](C)CC1 ZINC000500472398 1192623692 /nfs/dbraw/zinc/62/36/92/1192623692.db2.gz NJIDZHBETPBPDL-MRXNPFEDSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500474296 1192624198 /nfs/dbraw/zinc/62/41/98/1192624198.db2.gz SFJOFQLWYOLTEA-QZTJIDSGSA-N 2 0 393.576 0.604 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000418764578 1192640306 /nfs/dbraw/zinc/64/03/06/1192640306.db2.gz KTOJSMOISALRCE-IBGZPJMESA-N 2 0 375.517 0.434 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000418775627 1192643103 /nfs/dbraw/zinc/64/31/03/1192643103.db2.gz WJCJAYVMIMQABB-VEYWMJLUSA-N 2 0 377.533 0.637 20 0 GCADRP C[NH2+][C@@H](C)CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418783612 1192644577 /nfs/dbraw/zinc/64/45/77/1192644577.db2.gz OVTXXRJANYGTGL-KRWDZBQOSA-N 2 0 375.517 0.429 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000418782336 1192644595 /nfs/dbraw/zinc/64/45/95/1192644595.db2.gz NHLGTCREZKJKBO-HKUYNNGSSA-N 2 0 387.528 0.511 20 0 GCADRP [NH3+][C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000418790290 1192645163 /nfs/dbraw/zinc/64/51/63/1192645163.db2.gz XHBRMBLAQPDLNC-LJQANCHMSA-N 2 0 387.528 0.559 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418789774 1192646492 /nfs/dbraw/zinc/64/64/92/1192646492.db2.gz WWUHHQMONGZMCS-IBGZPJMESA-N 2 0 389.544 0.805 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418796276 1192647035 /nfs/dbraw/zinc/64/70/35/1192647035.db2.gz DQKZXFIRVZQKHF-SFHVURJKSA-N 2 0 394.560 0.843 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418800237 1192648284 /nfs/dbraw/zinc/64/82/84/1192648284.db2.gz ITIDQUFNLVLZLM-MSOLQXFVSA-N 2 0 394.560 0.971 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCCC1 ZINC000418807621 1192650617 /nfs/dbraw/zinc/65/06/17/1192650617.db2.gz PWTTWPMIWUONNR-QZTJIDSGSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418806425 1192650638 /nfs/dbraw/zinc/65/06/38/1192650638.db2.gz OHWLFVBKDQHVTN-MSOLQXFVSA-N 2 0 394.560 0.890 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000418809366 1192651118 /nfs/dbraw/zinc/65/11/18/1192651118.db2.gz SMECKMBSWWDXOG-QZTJIDSGSA-N 2 0 394.560 0.829 20 0 GCADRP O=C(NCCC[NH2+]C1CC1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418800812 1192651299 /nfs/dbraw/zinc/65/12/99/1192651299.db2.gz JCVJGAPWWPJGFQ-UHFFFAOYSA-N 2 0 380.533 0.644 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418808561 1192651309 /nfs/dbraw/zinc/65/13/09/1192651309.db2.gz RECNJLUPCJNKTC-KRWDZBQOSA-N 2 0 380.533 0.596 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@H]1C[NH3+] ZINC000418809382 1192651927 /nfs/dbraw/zinc/65/19/27/1192651927.db2.gz SNOSVHFRYPUJKC-ROUUACIJSA-N 2 0 394.560 0.971 20 0 GCADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000418826119 1192656803 /nfs/dbraw/zinc/65/68/03/1192656803.db2.gz CGPGKXUEXVXMJP-WMLDXEAASA-N 2 0 380.439 0.737 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418813628 1192653574 /nfs/dbraw/zinc/65/35/74/1192653574.db2.gz YWTLSEDWMRFMDF-DLBZAZTESA-N 2 0 380.533 0.581 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418823877 1192656397 /nfs/dbraw/zinc/65/63/97/1192656397.db2.gz COQUMNUYXSISJB-KRWDZBQOSA-N 2 0 380.533 0.738 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCC1 ZINC000418826274 1192656736 /nfs/dbraw/zinc/65/67/36/1192656736.db2.gz BEYAQJKJGMPWPY-JZXOWHBKSA-N 2 0 386.496 0.626 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)[NH+](C)C)cc1OC ZINC000418827255 1192656744 /nfs/dbraw/zinc/65/67/44/1192656744.db2.gz GOQPMPJWNCZYSI-BPUTZDHNSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)[NH+](C)C)cc1OC ZINC000418828785 1192658247 /nfs/dbraw/zinc/65/82/47/1192658247.db2.gz ICKFOVMQTYMDHC-BMFZPTHFSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[NH+](C)C)cc1OC ZINC000418828742 1192658293 /nfs/dbraw/zinc/65/82/93/1192658293.db2.gz HYXYLLMDWQUSDJ-ZFWWWQNUSA-N 2 0 378.473 0.243 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418836566 1192658356 /nfs/dbraw/zinc/65/83/56/1192658356.db2.gz RMJJPYJKUIUPGI-HOCLYGCPSA-N 2 0 392.500 0.539 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)[NH+](C)C)cc1OC ZINC000418833030 1192659932 /nfs/dbraw/zinc/65/99/32/1192659932.db2.gz MUQDUUFAYMNJSP-FMKPAKJESA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)cc1OC ZINC000418836169 1192660693 /nfs/dbraw/zinc/66/06/93/1192660693.db2.gz QTGICPVRFLLCKY-OAGGEKHMSA-N 2 0 390.484 0.243 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)cc1OC ZINC000418837631 1192662228 /nfs/dbraw/zinc/66/22/28/1192662228.db2.gz TVGAEGXTZHXNOY-OWCLPIDISA-N 2 0 390.484 0.101 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000418837593 1192662485 /nfs/dbraw/zinc/66/24/85/1192662485.db2.gz AWMXPPMXZIEUNO-ROUUACIJSA-N 2 0 387.528 0.129 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])[NH+](C)C)c1 ZINC000418837536 1192662540 /nfs/dbraw/zinc/66/25/40/1192662540.db2.gz ANUMSXHFYQISEX-QGTPRVQTSA-N 2 0 376.501 1.000 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418841563 1192663251 /nfs/dbraw/zinc/66/32/51/1192663251.db2.gz GSNUKMGXXVKCIX-BGYRXZFFSA-N 2 0 399.539 0.273 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000418842142 1192663434 /nfs/dbraw/zinc/66/34/34/1192663434.db2.gz HJHCNFFYVNTPLZ-ROUUACIJSA-N 2 0 376.501 0.463 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000418855840 1192668456 /nfs/dbraw/zinc/66/84/56/1192668456.db2.gz VRLHZGNYBHXTAU-HOTGVXAUSA-N 2 0 394.541 0.742 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c2cccs2)CC1 ZINC000418849798 1192665370 /nfs/dbraw/zinc/66/53/70/1192665370.db2.gz NHYNOMCWYLRTSL-HNNXBMFYSA-N 2 0 382.530 0.417 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418855500 1192668237 /nfs/dbraw/zinc/66/82/37/1192668237.db2.gz DSHDAXUUFDIDEK-MRXNPFEDSA-N 2 0 376.526 0.718 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)[NH+](C)C)c1 ZINC000418858103 1192668769 /nfs/dbraw/zinc/66/87/69/1192668769.db2.gz IMXWAQRGRTUUTF-KYJSFNMBSA-N 2 0 376.501 1.000 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418864432 1192669467 /nfs/dbraw/zinc/66/94/67/1192669467.db2.gz QQQJOSBGVQMZGW-IBGZPJMESA-N 2 0 389.544 0.410 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCO1 ZINC000418857917 1192669482 /nfs/dbraw/zinc/66/94/82/1192669482.db2.gz IEKSIWWSFCQAER-GJZGRUSLSA-N 2 0 380.514 0.577 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418865690 1192669544 /nfs/dbraw/zinc/66/95/44/1192669544.db2.gz SCOFVGGIYXSSCN-CRAIPNDOSA-N 2 0 376.501 0.920 20 0 GCADRP [NH3+]CC1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000418864408 1192669637 /nfs/dbraw/zinc/66/96/37/1192669637.db2.gz QKQHZWWBPZKYRR-UHFFFAOYSA-N 2 0 387.528 0.118 20 0 GCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000418859001 1192670346 /nfs/dbraw/zinc/67/03/46/1192670346.db2.gz AMJXYGZCZMBGKL-ABHNRTSZSA-N 2 0 380.533 0.640 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418864178 1192671590 /nfs/dbraw/zinc/67/15/90/1192671590.db2.gz QDJGNJKXRBOJGC-GOSISDBHSA-N 2 0 375.517 0.020 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000418863952 1192671696 /nfs/dbraw/zinc/67/16/96/1192671696.db2.gz HOFWVWSRRQANHG-KRWDZBQOSA-N 2 0 395.548 0.071 20 0 GCADRP C[C@H]([NH2+]C1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCCC1)c1ccccc1 ZINC000418862718 1192671791 /nfs/dbraw/zinc/67/17/91/1192671791.db2.gz ICRKYVMVURYMON-INIZCTEOSA-N 2 0 376.501 0.546 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCC2)c1 ZINC000418872006 1192673691 /nfs/dbraw/zinc/67/36/91/1192673691.db2.gz GBHUKNZNJIDMAX-QRQLOZEOSA-N 2 0 386.496 0.769 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418874816 1192673903 /nfs/dbraw/zinc/67/39/03/1192673903.db2.gz CJFGWAGXSHHECQ-ZWKOTPCHSA-N 2 0 376.501 0.359 20 0 GCADRP C[C@@]1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCC[NH2+]C1 ZINC000418880476 1192677692 /nfs/dbraw/zinc/67/76/92/1192677692.db2.gz PJSAEZIAISAONB-GHTZIAJQSA-N 2 0 388.512 0.375 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)c1 ZINC000418882303 1192677766 /nfs/dbraw/zinc/67/77/66/1192677766.db2.gz YQJHXMJIXDVBID-ROUUACIJSA-N 2 0 390.484 0.053 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCCO1 ZINC000418884206 1192678797 /nfs/dbraw/zinc/67/87/97/1192678797.db2.gz WKZJOJUJVLICDS-QGZVFWFLSA-N 2 0 376.501 0.591 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418875656 1192675720 /nfs/dbraw/zinc/67/57/20/1192675720.db2.gz DRXGNLNWNHZEHW-SNRMKQJTSA-N 2 0 388.512 0.503 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418876863 1192676234 /nfs/dbraw/zinc/67/62/34/1192676234.db2.gz HCZHOLILQUNMAS-CEXWTWQISA-N 2 0 394.560 0.984 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@H]1C[NH3+] ZINC000418877804 1192676377 /nfs/dbraw/zinc/67/63/77/1192676377.db2.gz KJNYNXIUWGHEKY-LZQZEXGQSA-N 2 0 388.512 0.313 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])c1ccco1 ZINC000418945576 1192698501 /nfs/dbraw/zinc/69/85/01/1192698501.db2.gz PZKZJYMNBZDRBK-BZUAXINKSA-N 2 0 380.489 0.743 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000418952800 1192700417 /nfs/dbraw/zinc/70/04/17/1192700417.db2.gz KQOFFLRZGXEHRH-MOPGFXCFSA-N 2 0 394.560 0.909 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000418958589 1192700271 /nfs/dbraw/zinc/70/02/71/1192700271.db2.gz XPNFEBOVSBBWRN-RCCFBDPRSA-N 2 0 380.533 0.504 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000418955074 1192701315 /nfs/dbraw/zinc/70/13/15/1192701315.db2.gz PFOHFJKESFTSCM-OKZBNKHCSA-N 2 0 380.533 0.504 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000418953921 1192701386 /nfs/dbraw/zinc/70/13/86/1192701386.db2.gz MLDIOBIYUHRCOZ-GVDBMIGSSA-N 2 0 380.533 0.375 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)ccn1 ZINC000418955822 1192702047 /nfs/dbraw/zinc/70/20/47/1192702047.db2.gz QXMUXVOLPBOICN-MRXNPFEDSA-N 2 0 377.489 0.272 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418967573 1192705511 /nfs/dbraw/zinc/70/55/11/1192705511.db2.gz SCHFISBNFDXXCH-AEFFLSMTSA-N 2 0 388.512 0.973 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418968410 1192705200 /nfs/dbraw/zinc/70/52/00/1192705200.db2.gz UHBZWHBBJPMTEU-WMZOPIPTSA-N 2 0 388.512 0.973 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000418995521 1192713486 /nfs/dbraw/zinc/71/34/86/1192713486.db2.gz JFEKVJNZHAGSBG-KRWDZBQOSA-N 2 0 395.548 0.071 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000419003625 1192714880 /nfs/dbraw/zinc/71/48/80/1192714880.db2.gz DHVCONLKSHUTJJ-OALUTQOASA-N 2 0 388.512 0.863 20 0 GCADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000419008231 1192715211 /nfs/dbraw/zinc/71/52/11/1192715211.db2.gz VHWXVTMRMKABSJ-ROUUACIJSA-N 2 0 380.533 0.724 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000410584211 1192729128 /nfs/dbraw/zinc/72/91/28/1192729128.db2.gz LEBZTGCDWBWWCE-LMMKCTJWSA-N 2 0 391.560 0.308 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000419041118 1192739269 /nfs/dbraw/zinc/73/92/69/1192739269.db2.gz NFXYJAUJWAERQJ-XWTMOSNGSA-N 2 0 382.549 0.873 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000419044363 1192738026 /nfs/dbraw/zinc/73/80/26/1192738026.db2.gz TWPKGAIIFXAXQC-XSLAGTTESA-N 2 0 382.549 0.825 20 0 GCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237335252 1192739675 /nfs/dbraw/zinc/73/96/75/1192739675.db2.gz ROCSXEGAESNJGC-SFHVURJKSA-N 2 0 396.557 0.073 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000419045609 1192739941 /nfs/dbraw/zinc/73/99/41/1192739941.db2.gz WRJOLNXSRPYDND-XSLAGTTESA-N 2 0 382.549 0.825 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000419047660 1192744605 /nfs/dbraw/zinc/74/46/05/1192744605.db2.gz YKVCQQFDYYJUII-JQHSSLGASA-N 2 0 380.533 0.578 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419056226 1192753002 /nfs/dbraw/zinc/75/30/02/1192753002.db2.gz LAACTECIGGRZNY-CGTJXYLNSA-N 2 0 376.501 0.351 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419057202 1192753685 /nfs/dbraw/zinc/75/36/85/1192753685.db2.gz NLAIEHLGWBLVHZ-CEXWTWQISA-N 2 0 388.512 0.493 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000419070485 1192766220 /nfs/dbraw/zinc/76/62/20/1192766220.db2.gz HIWCVHRWGMAZFQ-SCTDSRPQSA-N 2 0 388.512 0.872 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000237946960 1192772657 /nfs/dbraw/zinc/77/26/57/1192772657.db2.gz RUGXWIRVUFXECX-SFHVURJKSA-N 2 0 387.528 0.512 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000419074761 1192772781 /nfs/dbraw/zinc/77/27/81/1192772781.db2.gz MGSQYRUIKYCWOQ-ZWKOTPCHSA-N 2 0 392.500 0.299 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419077775 1192775752 /nfs/dbraw/zinc/77/57/52/1192775752.db2.gz JRUABXYVGFMGES-SJORKVTESA-N 2 0 391.520 0.281 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419077772 1192775779 /nfs/dbraw/zinc/77/57/79/1192775779.db2.gz JRUABXYVGFMGES-DLBZAZTESA-N 2 0 391.520 0.281 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000419098088 1192784259 /nfs/dbraw/zinc/78/42/59/1192784259.db2.gz BKSJSHKXIMJKHK-KRWDZBQOSA-N 2 0 388.512 0.640 20 0 GCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419101526 1192786190 /nfs/dbraw/zinc/78/61/90/1192786190.db2.gz HOOVEMOJPXQXLZ-QGZVFWFLSA-N 2 0 388.512 0.640 20 0 GCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419101524 1192786527 /nfs/dbraw/zinc/78/65/27/1192786527.db2.gz HOOVEMOJPXQXLZ-KRWDZBQOSA-N 2 0 388.512 0.640 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000419127603 1192797712 /nfs/dbraw/zinc/79/77/12/1192797712.db2.gz RNUUGEMEHARLFA-LJQANCHMSA-N 2 0 389.544 0.362 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000419129157 1192794120 /nfs/dbraw/zinc/79/41/20/1192794120.db2.gz CUKOONMADFQYQU-GOSISDBHSA-N 2 0 388.512 0.973 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419121005 1192794232 /nfs/dbraw/zinc/79/42/32/1192794232.db2.gz MACLVUHSQYJVRR-SJORKVTESA-N 2 0 395.548 0.213 20 0 GCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419114304 1192799548 /nfs/dbraw/zinc/79/95/48/1192799548.db2.gz WYAIEXNWGJKRAV-GOSISDBHSA-N 2 0 388.512 0.688 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CC[NH+](C)CC1 ZINC000419129930 1192804694 /nfs/dbraw/zinc/80/46/94/1192804694.db2.gz YZTRBHSISTVFDW-GOSISDBHSA-N 2 0 393.576 0.367 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419131563 1192805628 /nfs/dbraw/zinc/80/56/28/1192805628.db2.gz ALFMJVNBUDNZQC-OALUTQOASA-N 2 0 388.512 0.734 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)(C)C ZINC000419131841 1192806360 /nfs/dbraw/zinc/80/63/60/1192806360.db2.gz HAFZNYWBPJTKFO-CVEARBPZSA-N 2 0 393.536 0.383 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000419139121 1192807893 /nfs/dbraw/zinc/80/78/93/1192807893.db2.gz UFXQGMLVESJRSU-UHFFFAOYSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000410676906 1192810632 /nfs/dbraw/zinc/81/06/32/1192810632.db2.gz PZZWNFKDYVSHJC-JFIYKMOQSA-N 2 0 379.549 0.022 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000410676909 1192810712 /nfs/dbraw/zinc/81/07/12/1192810712.db2.gz PZZWNFKDYVSHJC-SOLBZPMBSA-N 2 0 379.549 0.022 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419150663 1192810777 /nfs/dbraw/zinc/81/07/77/1192810777.db2.gz MTWAZRBOLBYXST-HRCADAONSA-N 2 0 376.526 0.754 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419151057 1192810792 /nfs/dbraw/zinc/81/07/92/1192810792.db2.gz MYLJUGGNTLQIHI-NVXWUHKLSA-N 2 0 376.501 0.972 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000419153921 1192811879 /nfs/dbraw/zinc/81/18/79/1192811879.db2.gz QHUBVASZYXBLMO-ZYSHUDEJSA-N 2 0 386.496 0.610 20 0 GCADRP O=C1[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)CCN1c1ccc(F)cc1 ZINC000419141039 1192812245 /nfs/dbraw/zinc/81/22/45/1192812245.db2.gz KGJUTQHOTFYLIP-LJQANCHMSA-N 2 0 378.492 0.911 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000419142556 1192813203 /nfs/dbraw/zinc/81/32/03/1192813203.db2.gz YJCBZJSCDOPJPO-GOSISDBHSA-N 2 0 388.512 0.973 20 0 GCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419144941 1192814509 /nfs/dbraw/zinc/81/45/09/1192814509.db2.gz HDUCRHPBSOCQEY-HACGYAERSA-N 2 0 382.455 0.983 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419146008 1192815368 /nfs/dbraw/zinc/81/53/68/1192815368.db2.gz HEFJBOUJIXYXLU-WBVHZDCISA-N 2 0 388.516 0.083 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419159516 1192817402 /nfs/dbraw/zinc/81/74/02/1192817402.db2.gz ZKISHVOVYJYFAH-KBAYOESNSA-N 2 0 388.512 0.748 20 0 GCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+]2CCCC2)cc1 ZINC000419157743 1192817768 /nfs/dbraw/zinc/81/77/68/1192817768.db2.gz LMQDGTBDUDXHSX-RTBURBONSA-N 2 0 388.512 0.743 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159201 1192818175 /nfs/dbraw/zinc/81/81/75/1192818175.db2.gz YZLOTUVUQZIZNA-ZBFHGGJFSA-N 2 0 392.500 0.472 20 0 GCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419166577 1192822497 /nfs/dbraw/zinc/82/24/97/1192822497.db2.gz HMINNAYVKIXZKO-IAGOWNOFSA-N 2 0 395.548 0.071 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419165300 1192822796 /nfs/dbraw/zinc/82/27/96/1192822796.db2.gz NILSWADMZLPTFD-HKUYNNGSSA-N 2 0 388.512 0.510 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@H](C[NH3+])C1 ZINC000419155467 1192823575 /nfs/dbraw/zinc/82/35/75/1192823575.db2.gz RNCYJDVYYFHPFM-ROUUACIJSA-N 2 0 382.549 0.825 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@@H](C[NH3+])C1 ZINC000419155463 1192823589 /nfs/dbraw/zinc/82/35/89/1192823589.db2.gz RNCYJDVYYFHPFM-MSOLQXFVSA-N 2 0 382.549 0.825 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419169669 1192825085 /nfs/dbraw/zinc/82/50/85/1192825085.db2.gz VALZIDQFFPTVHT-MSOLQXFVSA-N 2 0 376.501 0.493 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197618 1192829877 /nfs/dbraw/zinc/82/98/77/1192829877.db2.gz BSDKDCSYONUKGZ-PBHICJAKSA-N 2 0 392.500 0.472 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168828 1192830544 /nfs/dbraw/zinc/83/05/44/1192830544.db2.gz TUOMQLXVEAAEHJ-QRQLOZEOSA-N 2 0 388.512 0.589 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197623 1192830819 /nfs/dbraw/zinc/83/08/19/1192830819.db2.gz BSDKDCSYONUKGZ-WMLDXEAASA-N 2 0 392.500 0.472 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000419191450 1192831025 /nfs/dbraw/zinc/83/10/25/1192831025.db2.gz OEWJKHCVPAKXST-UHFFFAOYSA-N 2 0 376.501 0.428 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419196445 1192832881 /nfs/dbraw/zinc/83/28/81/1192832881.db2.gz BAADJNISYHDBNN-QAPCUYQASA-N 2 0 376.501 0.972 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181047 1192833298 /nfs/dbraw/zinc/83/32/98/1192833298.db2.gz KLOLVNHWCZUCRF-QZTJIDSGSA-N 2 0 393.576 0.509 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1(C)C ZINC000419180928 1192833997 /nfs/dbraw/zinc/83/39/97/1192833997.db2.gz KCACLQVERYCXLU-UHFFFAOYSA-N 2 0 381.565 0.557 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419197164 1192836534 /nfs/dbraw/zinc/83/65/34/1192836534.db2.gz XSOJDGXLBFSLAH-APWZRJJASA-N 2 0 388.512 0.863 20 0 GCADRP CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000419203491 1192843880 /nfs/dbraw/zinc/84/38/80/1192843880.db2.gz IBMZBNLDEYPJGK-IBGZPJMESA-N 2 0 388.512 0.721 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000419205430 1192852646 /nfs/dbraw/zinc/85/26/46/1192852646.db2.gz KSXXZJLJJOJRSO-KRWDZBQOSA-N 2 0 388.516 0.050 20 0 GCADRP CN1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@H+](C)CC1 ZINC000893915163 1192876933 /nfs/dbraw/zinc/87/69/33/1192876933.db2.gz WLYZENSETODVGO-UHFFFAOYSA-N 2 0 378.521 0.411 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000419212477 1192900199 /nfs/dbraw/zinc/90/01/99/1192900199.db2.gz KHIDVHGERPTLKU-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP O=C(COCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332798262 1192902885 /nfs/dbraw/zinc/90/28/85/1192902885.db2.gz NEPUUJSKPJFWLG-XMTFNYHQSA-N 2 0 378.517 0.489 20 0 GCADRP C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000419213174 1192903460 /nfs/dbraw/zinc/90/34/60/1192903460.db2.gz LCIZBRRHLMWDND-RDJZCZTQSA-N 2 0 376.501 0.748 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C1 ZINC000419214110 1192907322 /nfs/dbraw/zinc/90/73/22/1192907322.db2.gz MGQQKPIMLRLYRA-INIZCTEOSA-N 2 0 376.501 0.314 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419217811 1192916701 /nfs/dbraw/zinc/91/67/01/1192916701.db2.gz REWGSTUDZUFDIX-RDJZCZTQSA-N 2 0 376.501 0.829 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410989905 1192922668 /nfs/dbraw/zinc/92/26/68/1192922668.db2.gz SDKBTFBZVHJJNS-AEFFLSMTSA-N 2 0 379.549 0.023 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000274546875 1184094417 /nfs/dbraw/zinc/09/44/17/1184094417.db2.gz TWJJMGQXWSJXJR-UHFFFAOYSA-N 2 0 391.516 0.197 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2)CC1 ZINC000274556840 1184098549 /nfs/dbraw/zinc/09/85/49/1184098549.db2.gz WDZACEALQNKNFY-HXUWFJFHSA-N 2 0 391.516 0.196 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC000654730175 1184109064 /nfs/dbraw/zinc/10/90/64/1184109064.db2.gz MNONUMVAQYVSNR-KZNAEPCWSA-N 2 0 377.533 0.951 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000274620996 1184124352 /nfs/dbraw/zinc/12/43/52/1184124352.db2.gz FTTSPASMNMWWQV-UHFFFAOYSA-N 2 0 391.560 0.938 20 0 GCADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000274639769 1184134045 /nfs/dbraw/zinc/13/40/45/1184134045.db2.gz TWZNCAZVXXYLQM-UHFFFAOYSA-N 2 0 377.489 0.892 20 0 GCADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H](C[NH3+])C1 ZINC000642683274 1184186191 /nfs/dbraw/zinc/18/61/91/1184186191.db2.gz NINCRLWKIYEYNN-GOSISDBHSA-N 2 0 391.491 0.008 20 0 GCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000642684653 1184195542 /nfs/dbraw/zinc/19/55/42/1184195542.db2.gz BRCGIOBNUARSJJ-VQIMIIECSA-N 2 0 388.512 0.650 20 0 GCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000642685533 1184196612 /nfs/dbraw/zinc/19/66/12/1184196612.db2.gz FZKVPBKUHLTOCW-GOSISDBHSA-N 2 0 376.501 0.700 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)O1 ZINC000616385807 1184204120 /nfs/dbraw/zinc/20/41/20/1184204120.db2.gz IFPNQZHVXALCPU-XLAORIBOSA-N 2 0 380.533 0.639 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N1CCc2sccc2C1 ZINC000642693386 1184243755 /nfs/dbraw/zinc/24/37/55/1184243755.db2.gz WLROYNYUPQNKFK-VNHYZAJKSA-N 2 0 380.514 0.186 20 0 GCADRP CCOC[C@@H]1C(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)N1C ZINC000683282983 1184472258 /nfs/dbraw/zinc/47/22/58/1184472258.db2.gz VAZOHTILFJSYOS-QGZVFWFLSA-N 2 0 375.473 0.893 20 0 GCADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+](C2CC2)C1 ZINC000655557009 1184573519 /nfs/dbraw/zinc/57/35/19/1184573519.db2.gz ATLWMNBHXWWJNO-MSOLQXFVSA-N 2 0 379.549 0.519 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275312909 1184597502 /nfs/dbraw/zinc/59/75/02/1184597502.db2.gz OVOVWWUUGBPAQI-ZWKOTPCHSA-N 2 0 391.516 0.689 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H](OCCO)C1 ZINC000275588477 1184771662 /nfs/dbraw/zinc/77/16/62/1184771662.db2.gz CHKBPJGJUITXEI-IBGZPJMESA-N 2 0 391.516 0.777 20 0 GCADRP CCCN(C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647019544 1184786222 /nfs/dbraw/zinc/78/62/22/1184786222.db2.gz MPKLIUSRVWRHMT-LJQANCHMSA-N 3 0 393.576 0.604 20 0 GCADRP CCCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647060482 1184801911 /nfs/dbraw/zinc/80/19/11/1184801911.db2.gz AXZDYTXPGGMNOL-GOSISDBHSA-N 2 0 382.549 0.935 20 0 GCADRP CC(C)OCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143378932 1184820095 /nfs/dbraw/zinc/82/00/95/1184820095.db2.gz HDUAHEKTQOYHKJ-OLEVXBPZSA-N 2 0 389.537 0.707 20 0 GCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837571 1184837988 /nfs/dbraw/zinc/83/79/88/1184837988.db2.gz VMTZWQZDZHJORJ-DLBZAZTESA-N 2 0 389.500 0.203 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275637882 1184846070 /nfs/dbraw/zinc/84/60/70/1184846070.db2.gz MNZRMLQNYRYKOU-MSOLQXFVSA-N 2 0 389.500 0.442 20 0 GCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000655909908 1184859268 /nfs/dbraw/zinc/85/92/68/1184859268.db2.gz PDZHQRBSDPGWLM-KRWDZBQOSA-N 2 0 389.504 0.605 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000121983179 1184912585 /nfs/dbraw/zinc/91/25/85/1184912585.db2.gz NQMNONDIYLYDQZ-NXHRZFHOSA-N 2 0 380.533 0.281 20 0 GCADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000656029235 1184965507 /nfs/dbraw/zinc/96/55/07/1184965507.db2.gz XEPPJEKVWQZLOK-HCXYKTFWSA-N 2 0 392.544 0.864 20 0 GCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC001670518358 1185032827 /nfs/dbraw/zinc/03/28/27/1185032827.db2.gz YJLNKULCQQMMQZ-UHFFFAOYSA-N 2 0 379.509 0.366 20 0 GCADRP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580173508 1185105012 /nfs/dbraw/zinc/10/50/12/1185105012.db2.gz JQCIWZKKDKOIOY-INIZCTEOSA-N 2 0 377.533 0.857 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000275818901 1185150131 /nfs/dbraw/zinc/15/01/31/1185150131.db2.gz FJRMVVWCNDEHOG-KRWDZBQOSA-N 2 0 389.500 0.599 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000580445360 1185233090 /nfs/dbraw/zinc/23/30/90/1185233090.db2.gz UVRROIAHXHDCGY-JKSUJKDBSA-N 2 0 391.516 0.493 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000580458433 1185237033 /nfs/dbraw/zinc/23/70/33/1185237033.db2.gz PIQYWDKUYRQVKM-GOSISDBHSA-N 2 0 389.544 0.234 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580476933 1185245464 /nfs/dbraw/zinc/24/54/64/1185245464.db2.gz PEKSMRSXPPVXCH-UHOSZYNNSA-N 2 0 392.544 0.614 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580476930 1185245597 /nfs/dbraw/zinc/24/55/97/1185245597.db2.gz PEKSMRSXPPVXCH-BHIYHBOVSA-N 2 0 392.544 0.614 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000275916273 1185272206 /nfs/dbraw/zinc/27/22/06/1185272206.db2.gz HBDMSKFTEFKKOJ-UHFFFAOYSA-N 2 0 389.544 0.825 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000580730802 1185317317 /nfs/dbraw/zinc/31/73/17/1185317317.db2.gz MSCCYBVRDVNRFK-ZACQAIPSSA-N 2 0 383.537 0.372 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH+](C)CC1 ZINC000656288359 1185334811 /nfs/dbraw/zinc/33/48/11/1185334811.db2.gz AYHQHYLJZHJBDR-OTWHNJEPSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@H](O)CN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000656305896 1185378580 /nfs/dbraw/zinc/37/85/80/1185378580.db2.gz DBHPBDNRBXHCEM-INIZCTEOSA-N 2 0 389.500 0.082 20 0 GCADRP Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001707885947 1185402025 /nfs/dbraw/zinc/40/20/25/1185402025.db2.gz CJVRRHLXVBQMAH-UYAOXDASSA-N 2 0 391.564 0.258 20 0 GCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000580904534 1185411516 /nfs/dbraw/zinc/41/15/16/1185411516.db2.gz WFLSDIOLOXXBIW-CABCVRRESA-N 2 0 381.546 0.301 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000557767822 1185416261 /nfs/dbraw/zinc/41/62/61/1185416261.db2.gz UBWPXGCQUPPCIM-GOSISDBHSA-N 2 0 376.501 0.244 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354295 1185448405 /nfs/dbraw/zinc/44/84/05/1185448405.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 2 0 393.576 0.604 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000656356203 1185454893 /nfs/dbraw/zinc/45/48/93/1185454893.db2.gz RNTPPYHVJJVNEV-MOPGFXCFSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356460 1185457282 /nfs/dbraw/zinc/45/72/82/1185457282.db2.gz DMTIKFPNOMEVQD-UHOSZYNNSA-N 2 0 392.544 0.831 20 0 GCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656356876 1185457697 /nfs/dbraw/zinc/45/76/97/1185457697.db2.gz HUZHPNAHEBGSSR-FHWLQOOXSA-N 2 0 392.544 0.690 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656361021 1185464523 /nfs/dbraw/zinc/46/45/23/1185464523.db2.gz XMOQILZOXYLMKR-MSOLQXFVSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000581013941 1185469789 /nfs/dbraw/zinc/46/97/89/1185469789.db2.gz MZWHTAARYHPCPZ-XLIONFOSSA-N 2 0 384.528 0.553 20 0 GCADRP CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152421 1185503568 /nfs/dbraw/zinc/50/35/68/1185503568.db2.gz BZEVKIGOFGWBSG-NQIIRXRSSA-N 3 0 393.576 0.591 20 0 GCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419415955 1185505755 /nfs/dbraw/zinc/50/57/55/1185505755.db2.gz IOCNHIWHPZAVPK-ROUUACIJSA-N 2 0 387.528 0.701 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000276074947 1185548499 /nfs/dbraw/zinc/54/84/99/1185548499.db2.gz SYNWASKJYOQKML-INIZCTEOSA-N 2 0 394.520 0.343 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000581298112 1185574287 /nfs/dbraw/zinc/57/42/87/1185574287.db2.gz GANFICNIAGGJQY-QGZVFWFLSA-N 2 0 390.532 0.862 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000581298111 1185574602 /nfs/dbraw/zinc/57/46/02/1185574602.db2.gz GANFICNIAGGJQY-KRWDZBQOSA-N 2 0 390.532 0.862 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(C)COC2)[C@H](O)OC(C)(C)C)C1 ZINC001143391330 1185603596 /nfs/dbraw/zinc/60/35/96/1185603596.db2.gz RMSYWVCVZYJKQT-WNZSCWOMSA-N 2 0 387.521 0.319 20 0 GCADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000430565908 1185610058 /nfs/dbraw/zinc/61/00/58/1185610058.db2.gz BLGZKUVKRRFVDV-SFHVURJKSA-N 2 0 383.514 0.803 20 0 GCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001104346714 1185618424 /nfs/dbraw/zinc/61/84/24/1185618424.db2.gz HVQHIIFLDBLCKH-KCYZZUKISA-N 2 0 391.520 0.301 20 0 GCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104346791 1185618788 /nfs/dbraw/zinc/61/87/88/1185618788.db2.gz JHEBZPYWFHQQEK-QBPKDAKJSA-N 2 0 389.562 0.214 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000581417839 1185667553 /nfs/dbraw/zinc/66/75/53/1185667553.db2.gz PGLDCWVHBDHVJX-UHFFFAOYSA-N 2 0 390.528 0.934 20 0 GCADRP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCCC1 ZINC000891393685 1185681543 /nfs/dbraw/zinc/68/15/43/1185681543.db2.gz BRLISKMVCYLAJV-NXOAAHMSSA-N 2 0 379.505 0.685 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000581440822 1185692198 /nfs/dbraw/zinc/69/21/98/1185692198.db2.gz SDQAKJPXTLWPPI-IPMKNSEASA-N 2 0 385.512 0.850 20 0 GCADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609592 1185752006 /nfs/dbraw/zinc/75/20/06/1185752006.db2.gz HQJLIQNYECLHTO-OLZOCXBDSA-N 2 0 379.436 0.649 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000581564387 1185762140 /nfs/dbraw/zinc/76/21/40/1185762140.db2.gz MDJAOYDUVRUWKN-SFHVURJKSA-N 2 0 394.560 0.794 20 0 GCADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000430614062 1185768186 /nfs/dbraw/zinc/76/81/86/1185768186.db2.gz XQMVKSOYDFLFEJ-QGZVFWFLSA-N 2 0 376.476 0.894 20 0 GCADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1OC ZINC000430617402 1185789108 /nfs/dbraw/zinc/78/91/08/1185789108.db2.gz MJJSXDPQFKZXPD-MRXNPFEDSA-N 2 0 392.500 0.449 20 0 GCADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619906 1185793198 /nfs/dbraw/zinc/79/31/98/1185793198.db2.gz BLXWEOQUYSAVFY-ZFWWWQNUSA-N 2 0 375.473 0.160 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCc1c(F)cccc1F ZINC000430620522 1185796718 /nfs/dbraw/zinc/79/67/18/1185796718.db2.gz IEDUGJUKOSEZSI-OAHLLOKOSA-N 2 0 394.466 0.767 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000642808243 1185805762 /nfs/dbraw/zinc/80/57/62/1185805762.db2.gz UMBWRRQUPLYVEK-KFKAGJAMSA-N 2 0 388.512 0.588 20 0 GCADRP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430625012 1185807194 /nfs/dbraw/zinc/80/71/94/1185807194.db2.gz JWNFBVMWZHLCIG-KRWDZBQOSA-N 2 0 376.501 0.831 20 0 GCADRP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430625341 1185808681 /nfs/dbraw/zinc/80/86/81/1185808681.db2.gz KJFWFDOXXGDLPM-UHFFFAOYSA-N 2 0 387.528 0.262 20 0 GCADRP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430626478 1185810947 /nfs/dbraw/zinc/81/09/47/1185810947.db2.gz LCVOWXOZJOXAIM-FUHWJXTLSA-N 2 0 388.512 0.844 20 0 GCADRP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430629482 1185817877 /nfs/dbraw/zinc/81/78/77/1185817877.db2.gz QFBGGCXSUBFRAH-KRWDZBQOSA-N 2 0 376.501 0.585 20 0 GCADRP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430631379 1185819527 /nfs/dbraw/zinc/81/95/27/1185819527.db2.gz BDYYQHBPUSYKJU-OAHLLOKOSA-N 2 0 398.529 0.103 20 0 GCADRP CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642783 1185849918 /nfs/dbraw/zinc/84/99/18/1185849918.db2.gz KWTUIIKVIHPRRX-AWEZNQCLSA-N 2 0 387.484 0.537 20 0 GCADRP Cc1ccc(SCCNC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643326 1185856005 /nfs/dbraw/zinc/85/60/05/1185856005.db2.gz XFIVDNDSYZGSDE-INIZCTEOSA-N 2 0 378.542 0.990 20 0 GCADRP O=C([C@H]1CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1)N1CC[NH2+]CC1 ZINC000430647981 1185863879 /nfs/dbraw/zinc/86/38/79/1185863879.db2.gz QSTQJMSDTDRMPH-INIZCTEOSA-N 2 0 384.480 0.817 20 0 GCADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891465582 1185880262 /nfs/dbraw/zinc/88/02/62/1185880262.db2.gz OVMWEJVMXFEEEG-BBWFWOEESA-N 2 0 379.505 0.685 20 0 GCADRP [NH3+]CC12CCC(CC1)N2C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000891463531 1185881005 /nfs/dbraw/zinc/88/10/05/1185881005.db2.gz DEOGHMYWUVKWSV-UHFFFAOYSA-N 2 0 386.500 0.786 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCc1cccs1 ZINC000430656027 1185882483 /nfs/dbraw/zinc/88/24/83/1185882483.db2.gz SRTQTEDZCGYZKK-CQSZACIVSA-N 2 0 393.513 0.218 20 0 GCADRP CCC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[NH+](CCC)CC3)n2)CC1 ZINC000891479683 1185887253 /nfs/dbraw/zinc/88/72/53/1185887253.db2.gz LZQCPXFDMUEMTO-UHFFFAOYSA-N 2 0 375.521 0.640 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891482575 1185887339 /nfs/dbraw/zinc/88/73/39/1185887339.db2.gz KBZJSVDUTDSXKH-OALUTQOASA-N 2 0 387.528 0.943 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430658393 1185899880 /nfs/dbraw/zinc/89/98/80/1185899880.db2.gz XKJASKGXNHGVAJ-QZTJIDSGSA-N 2 0 387.528 0.416 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891511629 1185901112 /nfs/dbraw/zinc/90/11/12/1185901112.db2.gz DIALTVPENHHBPU-ROUUACIJSA-N 2 0 387.532 0.915 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891519413 1185903347 /nfs/dbraw/zinc/90/33/47/1185903347.db2.gz XSOJANOQMQNVIZ-TWMKSMIVSA-N 2 0 379.505 0.683 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891534333 1185908725 /nfs/dbraw/zinc/90/87/25/1185908725.db2.gz ACVAVQFDDNTGNY-QGZVFWFLSA-N 2 0 395.548 0.387 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C[NH+]1CCCC1 ZINC000581839619 1185910155 /nfs/dbraw/zinc/91/01/55/1185910155.db2.gz QSGIETHGBYJMSE-NEWSRXKRSA-N 2 0 394.560 0.719 20 0 GCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563299 1185922012 /nfs/dbraw/zinc/92/20/12/1185922012.db2.gz CQYOPBZNJAIPAZ-PXNSSMCTSA-N 2 0 381.565 0.799 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C(F)(F)F ZINC000891567085 1185922349 /nfs/dbraw/zinc/92/23/49/1185922349.db2.gz VKBGPMIIIDTDMJ-RBSFLKMASA-N 2 0 393.454 0.172 20 0 GCADRP [NH3+][C@@H](CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000891567864 1185922705 /nfs/dbraw/zinc/92/27/05/1185922705.db2.gz XKGLNZFTMWIUON-PMACEKPBSA-N 2 0 389.544 0.652 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891670071 1185963932 /nfs/dbraw/zinc/96/39/32/1185963932.db2.gz NISFWHYVANVISW-NXOAAHMSSA-N 2 0 379.505 0.541 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCCC2)CC1 ZINC000419750875 1185965333 /nfs/dbraw/zinc/96/53/33/1185965333.db2.gz JJUAHCANVYRJHQ-CVEARBPZSA-N 2 0 380.533 0.912 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CCCC2)CC1 ZINC000419750877 1185965578 /nfs/dbraw/zinc/96/55/78/1185965578.db2.gz JJUAHCANVYRJHQ-HZPDHXFCSA-N 2 0 380.533 0.912 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419891208 1185977368 /nfs/dbraw/zinc/97/73/68/1185977368.db2.gz IIXHZFJKFIFMBI-QZTJIDSGSA-N 2 0 382.549 0.970 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419902943 1185978236 /nfs/dbraw/zinc/97/82/36/1185978236.db2.gz WFUGXVLUARPUOX-SJORKVTESA-N 2 0 376.501 0.972 20 0 GCADRP CC(C)[NH+](C)CCNS(=O)(=O)c1c[nH]c(C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000548368577 1186010297 /nfs/dbraw/zinc/01/02/97/1186010297.db2.gz KLMDNBXNSJUCNU-UHFFFAOYSA-N 2 0 387.550 0.703 20 0 GCADRP CC[NH+]1CCN(CCNc2ccnc(NCCN3CC[NH+](CC)CC3)n2)CC1 ZINC000891757979 1186013732 /nfs/dbraw/zinc/01/37/32/1186013732.db2.gz YKEHPPXNADPRGX-UHFFFAOYSA-N 2 0 390.580 0.575 20 0 GCADRP CCS(=O)(=O)NCCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000510549584 1186026356 /nfs/dbraw/zinc/02/63/56/1186026356.db2.gz MPZKZRUNBTXWCT-UHFFFAOYSA-N 2 0 390.594 0.732 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)n1 ZINC000430873942 1186044858 /nfs/dbraw/zinc/04/48/58/1186044858.db2.gz BNJROMRXTXYDSG-SFHVURJKSA-N 2 0 381.484 1.198 20 0 GCADRP C[C@H](CCNC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c[nH]1)[NH+](C)C ZINC000657088281 1186047567 /nfs/dbraw/zinc/04/75/67/1186047567.db2.gz BVLQKZNPQQUDML-ZIAGYGMSSA-N 2 0 387.550 0.703 20 0 GCADRP C[C@H](Cc1cccnc1)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000933753551 1186061148 /nfs/dbraw/zinc/06/11/48/1186061148.db2.gz UMQMHOUKOQYENG-KBAYOESNSA-N 2 0 375.517 0.327 20 0 GCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000430968219 1186076404 /nfs/dbraw/zinc/07/64/04/1186076404.db2.gz WBWOYDULHCYZRY-AWEZNQCLSA-N 2 0 386.504 0.071 20 0 GCADRP O=C(CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CCOCC1 ZINC000159336733 1186084216 /nfs/dbraw/zinc/08/42/16/1186084216.db2.gz GZNAUSMGPVDPRN-UHFFFAOYSA-N 2 0 394.560 0.940 20 0 GCADRP CNS(=O)(=O)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nc1 ZINC000276824017 1186093354 /nfs/dbraw/zinc/09/33/54/1186093354.db2.gz ORLYCEKXWOGGIN-UHFFFAOYSA-N 2 0 398.533 0.479 20 0 GCADRP COC1(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000431000535 1186098058 /nfs/dbraw/zinc/09/80/58/1186098058.db2.gz FIWGKQUAUKUZPJ-UHFFFAOYSA-N 2 0 376.505 0.264 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000642881253 1186127941 /nfs/dbraw/zinc/12/79/41/1186127941.db2.gz NGLVYGVVWCHEDK-IRXDYDNUSA-N 2 0 380.533 0.866 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535723308 1186203771 /nfs/dbraw/zinc/20/37/71/1186203771.db2.gz VWICZIUMBHFGRE-QGZVFWFLSA-N 2 0 379.549 0.119 20 0 GCADRP Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001707915695 1186273128 /nfs/dbraw/zinc/27/31/28/1186273128.db2.gz WMQRADBIBDVFLV-SFHVURJKSA-N 2 0 392.548 0.592 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1(C)C ZINC000431306193 1186333973 /nfs/dbraw/zinc/33/39/73/1186333973.db2.gz OYFSMRDORFHPAD-UHFFFAOYSA-N 2 0 396.580 0.304 20 0 GCADRP c1cnc(N2CC[NH+](CCCC[NH+]3CCN(c4ncccn4)CC3)CC2)nc1 ZINC000157314429 1186357764 /nfs/dbraw/zinc/35/77/64/1186357764.db2.gz JJVKBYFPRGPOFR-UHFFFAOYSA-N 2 0 382.516 0.991 20 0 GCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000892132747 1186364046 /nfs/dbraw/zinc/36/40/46/1186364046.db2.gz ULJCLAKOPLJKID-DAWZGUTISA-N 2 0 379.549 0.661 20 0 GCADRP OCCN1CCC[C@@H]2[C@H]1CC[NH+]2CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261313 1186388468 /nfs/dbraw/zinc/38/84/68/1186388468.db2.gz DZURJUHNFVDESR-YSFYHYPLSA-N 2 0 394.604 0.829 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000559462622 1186393658 /nfs/dbraw/zinc/39/36/58/1186393658.db2.gz HFJVNIDWZWGEOB-GOSISDBHSA-N 2 0 381.565 0.365 20 0 GCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892186862 1186418152 /nfs/dbraw/zinc/41/81/52/1186418152.db2.gz DRAFZFBWHSXJRH-BRWVUGGUSA-N 2 0 377.533 0.890 20 0 GCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892186863 1186418683 /nfs/dbraw/zinc/41/86/83/1186418683.db2.gz DRAFZFBWHSXJRH-GVDBMIGSSA-N 2 0 377.533 0.890 20 0 GCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892187837 1186419769 /nfs/dbraw/zinc/41/97/69/1186419769.db2.gz NJLZWAITSYOGBB-MKXGPGLRSA-N 2 0 379.549 0.470 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000582140834 1186433777 /nfs/dbraw/zinc/43/37/77/1186433777.db2.gz CENVVOXSAAAIIM-ZIFCJYIRSA-N 2 0 392.544 0.546 20 0 GCADRP CN1CCN(c2ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)cc2Cl)CC1 ZINC000892217847 1186456874 /nfs/dbraw/zinc/45/68/74/1186456874.db2.gz FIVQACITKXNUFU-UHFFFAOYSA-N 2 0 397.907 0.071 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000582195541 1186460663 /nfs/dbraw/zinc/46/06/63/1186460663.db2.gz HNYGUTXRDHYRLU-QZTJIDSGSA-N 2 0 381.565 0.367 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000582231499 1186470206 /nfs/dbraw/zinc/47/02/06/1186470206.db2.gz BZYRTQMTEBJTLA-HOCLYGCPSA-N 2 0 392.500 0.620 20 0 GCADRP CN1CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000582230721 1186470306 /nfs/dbraw/zinc/47/03/06/1186470306.db2.gz XGHRNKDSQZOUMK-FQEVSTJZSA-N 2 0 388.560 0.479 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892235125 1186481105 /nfs/dbraw/zinc/48/11/05/1186481105.db2.gz FBJGICJEBAKLSJ-HHARLNAUSA-N 2 0 377.489 0.580 20 0 GCADRP CC(C)[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000582407582 1186523449 /nfs/dbraw/zinc/52/34/49/1186523449.db2.gz MRKAHRSTFXHFQZ-SFHVURJKSA-N 2 0 381.565 0.765 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000582532603 1186558982 /nfs/dbraw/zinc/55/89/82/1186558982.db2.gz BWHHZNARDRPRRO-OALUTQOASA-N 2 0 393.576 0.556 20 0 GCADRP CSc1ccc([C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000582536002 1186559805 /nfs/dbraw/zinc/55/98/05/1186559805.db2.gz NIULGYNVKSSKHV-MRXNPFEDSA-N 2 0 379.530 0.742 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[C@H](C[NH3+])C1 ZINC000582600497 1186580924 /nfs/dbraw/zinc/58/09/24/1186580924.db2.gz TVGJGZSMCOABEC-KNQAVFIVSA-N 2 0 399.539 0.212 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000582658115 1186599524 /nfs/dbraw/zinc/59/95/24/1186599524.db2.gz PPQPYSKCCQGHSI-GOSISDBHSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000582680703 1186607896 /nfs/dbraw/zinc/60/78/96/1186607896.db2.gz LRECSKAJIOBUDS-MSOLQXFVSA-N 2 0 379.549 0.073 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000582687909 1186609227 /nfs/dbraw/zinc/60/92/27/1186609227.db2.gz NALXAFDKJIUSSG-QZTJIDSGSA-N 2 0 382.549 0.671 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277788246 1186610406 /nfs/dbraw/zinc/61/04/06/1186610406.db2.gz ZXXJNDWNXPBUEP-WOJBJXKFSA-N 2 0 389.544 0.823 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(c2nc(C(N)=O)cc(N3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000892288566 1186626371 /nfs/dbraw/zinc/62/63/71/1186626371.db2.gz RJUMRRXPIHKCJD-LSDHHAIUSA-N 2 0 375.521 0.636 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(c2nc(NC3CC3)nc(N3CCC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000892288513 1186627714 /nfs/dbraw/zinc/62/77/14/1186627714.db2.gz QVFODISUGINURD-IAGOWNOFSA-N 2 0 388.564 0.929 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000582801046 1186680952 /nfs/dbraw/zinc/68/09/52/1186680952.db2.gz LNBRXXPAZIZXKM-MRXNPFEDSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000582895918 1186724790 /nfs/dbraw/zinc/72/47/90/1186724790.db2.gz WCXIHMKGLBQQFK-ROUUACIJSA-N 2 0 387.528 0.409 20 0 GCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000582900190 1186726208 /nfs/dbraw/zinc/72/62/08/1186726208.db2.gz GYMXYPIWKDHHBH-SFHLNBCPSA-N 2 0 391.560 0.653 20 0 GCADRP CC1CC[NH+](CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000582951379 1186735378 /nfs/dbraw/zinc/73/53/78/1186735378.db2.gz ZXJFVZCJCPSOJO-UHFFFAOYSA-N 2 0 381.565 0.814 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000079007062 1186738783 /nfs/dbraw/zinc/73/87/83/1186738783.db2.gz OHNPPGFXZHGPPX-MRXNPFEDSA-N 2 0 375.517 0.481 20 0 GCADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000583012389 1186747673 /nfs/dbraw/zinc/74/76/73/1186747673.db2.gz SNIKYQDWMQBZCF-KRWDZBQOSA-N 2 0 382.468 0.665 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(F)cn1 ZINC000278024385 1186751187 /nfs/dbraw/zinc/75/11/87/1186751187.db2.gz GQXKAZFEUXWKGB-UHFFFAOYSA-N 2 0 386.431 0.883 20 0 GCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)CCC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000583036007 1186754085 /nfs/dbraw/zinc/75/40/85/1186754085.db2.gz VEKWWQUKFFICGK-OALUTQOASA-N 2 0 385.512 0.359 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000150740599 1186764389 /nfs/dbraw/zinc/76/43/89/1186764389.db2.gz AGKABWHFEOBOAI-GOSISDBHSA-N 2 0 379.549 0.914 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000124625781 1186799317 /nfs/dbraw/zinc/79/93/17/1186799317.db2.gz SFDRZONMHHXBDQ-MRXNPFEDSA-N 2 0 377.489 0.198 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000124650303 1186799880 /nfs/dbraw/zinc/79/98/80/1186799880.db2.gz FCSWLFYGQMOUHB-MRXNPFEDSA-N 2 0 391.516 0.507 20 0 GCADRP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000155190453 1186809978 /nfs/dbraw/zinc/80/99/78/1186809978.db2.gz WCDWKKXKBHNZEY-IAGOWNOFSA-N 2 0 380.533 0.546 20 0 GCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392504 1186843875 /nfs/dbraw/zinc/84/38/75/1186843875.db2.gz IKEJGSASJRVWCX-IPMKNSEASA-N 2 0 385.512 0.504 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000583454460 1186859165 /nfs/dbraw/zinc/85/91/65/1186859165.db2.gz LNEDGDJDUSAGAR-UHFFFAOYSA-N 2 0 395.548 0.036 20 0 GCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245387275 1186877225 /nfs/dbraw/zinc/87/72/25/1186877225.db2.gz VYHKJTWAXXTGBE-BRWVUGGUSA-N 2 0 394.560 0.920 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000163212744 1186887217 /nfs/dbraw/zinc/88/72/17/1186887217.db2.gz KCYZAFQNUDMNPV-UHFFFAOYSA-N 2 0 387.528 0.927 20 0 GCADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000278328265 1186890293 /nfs/dbraw/zinc/89/02/93/1186890293.db2.gz VYKAXUOLQONXHH-ROUUACIJSA-N 2 0 375.517 0.806 20 0 GCADRP C[NH+](C)C1CCN(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000458602722 1186893850 /nfs/dbraw/zinc/89/38/50/1186893850.db2.gz SYMJKKWRDKEXLS-UHFFFAOYSA-N 2 0 396.580 0.304 20 0 GCADRP O=C(c1cc(CN2CCCC2)on1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000583598541 1186897677 /nfs/dbraw/zinc/89/76/77/1186897677.db2.gz IGQBKALVLYNIRH-UHFFFAOYSA-N 2 0 378.473 0.570 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000583656877 1186913043 /nfs/dbraw/zinc/91/30/43/1186913043.db2.gz PSQNDLHCURFUFL-KRWDZBQOSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778182 1186937355 /nfs/dbraw/zinc/93/73/55/1186937355.db2.gz GIQUVWUSUZAREV-QFBILLFUSA-N 2 0 391.560 0.071 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000583925961 1186961829 /nfs/dbraw/zinc/96/18/29/1186961829.db2.gz YMPHIGXIQUVMTC-UHFFFAOYSA-N 2 0 391.472 0.534 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001211603445 1186966093 /nfs/dbraw/zinc/96/60/93/1186966093.db2.gz BLQPGWIIJSAHBY-RSPOEFSDSA-N 2 0 375.513 0.920 20 0 GCADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000584166706 1187009345 /nfs/dbraw/zinc/00/93/45/1187009345.db2.gz LODIRIWNDIXGOP-AWEZNQCLSA-N 2 0 387.484 0.774 20 0 GCADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)C1 ZINC000584222023 1187016870 /nfs/dbraw/zinc/01/68/70/1187016870.db2.gz SWEMIISICUDIJT-QWFCFKBJSA-N 2 0 381.565 0.750 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000685277348 1187019684 /nfs/dbraw/zinc/01/96/84/1187019684.db2.gz GPSLNLZKSYFYRJ-OAGGEKHMSA-N 2 0 378.517 0.440 20 0 GCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000584292157 1187026524 /nfs/dbraw/zinc/02/65/24/1187026524.db2.gz VWBUEKHWOOLZTQ-WOJBJXKFSA-N 3 0 379.593 0.983 20 0 GCADRP O=C(CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000584345629 1187035520 /nfs/dbraw/zinc/03/55/20/1187035520.db2.gz HUDZNKFEOZBHBC-GOSISDBHSA-N 2 0 398.429 0.989 20 0 GCADRP CC[NH+](CC)CCN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000584351851 1187037406 /nfs/dbraw/zinc/03/74/06/1187037406.db2.gz OPZDHBBAHVZCHL-LSDHHAIUSA-N 2 0 397.545 0.458 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611840127 1187047325 /nfs/dbraw/zinc/04/73/25/1187047325.db2.gz ZTARILXRHDSGAT-SJORKVTESA-N 2 0 380.533 0.593 20 0 GCADRP CN1C(=O)C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000584386779 1187047427 /nfs/dbraw/zinc/04/74/27/1187047427.db2.gz PJIGNOUSXOUITM-LSBZLQRGSA-N 2 0 382.455 0.435 20 0 GCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000375748615 1187058971 /nfs/dbraw/zinc/05/89/71/1187058971.db2.gz IPLWKQYLPCLQHN-CVEARBPZSA-N 2 0 390.532 1.325 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N(C)CC[N@H+](C)C3CC3)C2)CC1 ZINC000584456006 1187070496 /nfs/dbraw/zinc/07/04/96/1187070496.db2.gz XXXAEIVOQIEGNX-GOSISDBHSA-N 2 0 379.549 0.166 20 0 GCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000563912364 1187087200 /nfs/dbraw/zinc/08/72/00/1187087200.db2.gz RLNFYOZOKKPONY-BPQIPLTHSA-N 2 0 380.533 0.423 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)CC2)C1 ZINC000685501352 1187137179 /nfs/dbraw/zinc/13/71/79/1187137179.db2.gz XNSYVYYKVZIXDI-RTBURBONSA-N 2 0 391.560 0.358 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000685520192 1187142424 /nfs/dbraw/zinc/14/24/24/1187142424.db2.gz LCKBPZSOIWCWCU-KRWDZBQOSA-N 2 0 381.565 0.319 20 0 GCADRP [NH3+][C@@H](CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000892400514 1187150295 /nfs/dbraw/zinc/15/02/95/1187150295.db2.gz SNKYFYHCIKAUDJ-IBGZPJMESA-N 2 0 387.528 0.896 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001023848133 1187157709 /nfs/dbraw/zinc/15/77/09/1187157709.db2.gz ZEEOQKHZDKAJEN-QBPKDAKJSA-N 2 0 380.533 0.279 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2O)CC[N@@H+]1C ZINC001023979146 1187210772 /nfs/dbraw/zinc/21/07/72/1187210772.db2.gz QMIJPMDSWOPIQA-BSDSXHPESA-N 2 0 392.544 0.281 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000658084567 1187242896 /nfs/dbraw/zinc/24/28/96/1187242896.db2.gz DHSXUYSEHYTGNK-SFHVURJKSA-N 2 0 381.565 0.271 20 0 GCADRP CC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C[C@H]2CCOC2)CC1 ZINC000612154363 1187314744 /nfs/dbraw/zinc/31/47/44/1187314744.db2.gz ZZXAACLOBYCUQJ-KURKYZTESA-N 2 0 390.532 0.992 20 0 GCADRP CN(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000658534422 1187328087 /nfs/dbraw/zinc/32/80/87/1187328087.db2.gz BNXXBNAQIQYLDM-LJQANCHMSA-N 2 0 389.544 0.676 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000658569072 1187349495 /nfs/dbraw/zinc/34/94/95/1187349495.db2.gz ZVLPZWGBHAXCNU-UHFFFAOYSA-N 2 0 391.516 0.208 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000658568641 1187349567 /nfs/dbraw/zinc/34/95/67/1187349567.db2.gz REXFDZXWUAZPKK-UHFFFAOYSA-N 2 0 377.489 0.165 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000658622889 1187389700 /nfs/dbraw/zinc/38/97/00/1187389700.db2.gz ISJFVHCWJGSEOX-QGZVFWFLSA-N 2 0 381.565 0.460 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658649834 1187398553 /nfs/dbraw/zinc/39/85/53/1187398553.db2.gz RSGBJSGKQNPRGO-HNNXBMFYSA-N 2 0 376.505 0.906 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)[C@H]2C1 ZINC000612223820 1187411857 /nfs/dbraw/zinc/41/18/57/1187411857.db2.gz LORFNMLXTNSOLB-UXHICEINSA-N 2 0 399.539 0.962 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413633249 1187447194 /nfs/dbraw/zinc/44/71/94/1187447194.db2.gz DWQFNYXRVDUTNX-UHFFFAOYSA-N 2 0 385.553 0.003 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000658780906 1187461181 /nfs/dbraw/zinc/46/11/81/1187461181.db2.gz GUNJWINYDGGNFZ-LJQANCHMSA-N 2 0 393.576 0.558 20 0 GCADRP CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000413719608 1187481968 /nfs/dbraw/zinc/48/19/68/1187481968.db2.gz RAGYHRFOPYYANU-FGTMMUONSA-N 2 0 392.548 0.812 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612479228 1187502814 /nfs/dbraw/zinc/50/28/14/1187502814.db2.gz AOQYBLQFKSBBNZ-AEFFLSMTSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612479229 1187502988 /nfs/dbraw/zinc/50/29/88/1187502988.db2.gz AOQYBLQFKSBBNZ-FUHWJXTLSA-N 2 0 380.533 0.593 20 0 GCADRP CC(C)[NH+]1CCC(CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000892500555 1187508138 /nfs/dbraw/zinc/50/81/38/1187508138.db2.gz BVYSHGZOWCLJDL-UHFFFAOYSA-N 2 0 394.564 0.849 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000668778113 1187521606 /nfs/dbraw/zinc/52/16/06/1187521606.db2.gz ISGOUXJCVIZFDO-HOTGVXAUSA-N 2 0 395.548 0.034 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000612545784 1187521770 /nfs/dbraw/zinc/52/17/70/1187521770.db2.gz MTSWLBGPELZYGB-GOSISDBHSA-N 2 0 393.576 0.604 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000612545327 1187521832 /nfs/dbraw/zinc/52/18/32/1187521832.db2.gz JMYKRMLNMOYSTL-QGZVFWFLSA-N 2 0 380.533 0.690 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000612545537 1187522282 /nfs/dbraw/zinc/52/22/82/1187522282.db2.gz LAYAQPGYBGRCJP-IBGZPJMESA-N 2 0 394.560 0.938 20 0 GCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000612598158 1187538486 /nfs/dbraw/zinc/53/84/86/1187538486.db2.gz SFLCVVSFTGYAEG-PKOBYXMFSA-N 2 0 392.544 0.546 20 0 GCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000612598156 1187538691 /nfs/dbraw/zinc/53/86/91/1187538691.db2.gz SFLCVVSFTGYAEG-IEBWSBKVSA-N 2 0 392.544 0.546 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000612599139 1187538844 /nfs/dbraw/zinc/53/88/44/1187538844.db2.gz PUJVEIRPQHJZQH-QZTJIDSGSA-N 2 0 378.517 0.443 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612600855 1187539470 /nfs/dbraw/zinc/53/94/70/1187539470.db2.gz LRAOLEHJLGDSJB-GOSISDBHSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000612602440 1187540329 /nfs/dbraw/zinc/54/03/29/1187540329.db2.gz XVSDQXMAQNHSPZ-SJLPKXTDSA-N 2 0 380.533 0.594 20 0 GCADRP CCN(CCOCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000413845042 1187543953 /nfs/dbraw/zinc/54/39/53/1187543953.db2.gz JMIFPWRWSIKPQS-FJIDUMEYSA-N 2 0 382.549 0.363 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](CC)CC2)[C@H](C)C1 ZINC000570304603 1187566230 /nfs/dbraw/zinc/56/62/30/1187566230.db2.gz DAJAARDDCBWVGL-MSOLQXFVSA-N 2 0 382.549 0.794 20 0 GCADRP COC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@H+](C)C1 ZINC000413907981 1187577718 /nfs/dbraw/zinc/57/77/18/1187577718.db2.gz UFDXQDUDLFZARZ-KRWDZBQOSA-N 2 0 389.500 0.157 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000570414645 1187598989 /nfs/dbraw/zinc/59/89/89/1187598989.db2.gz ROJIKUQMABONAU-ROUUACIJSA-N 2 0 398.548 0.077 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC[N@@H+]1C ZINC001024745915 1187605567 /nfs/dbraw/zinc/60/55/67/1187605567.db2.gz RAWRASFAVKNVMP-YLFCFFPRSA-N 2 0 378.517 0.033 20 0 GCADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911695 1187617813 /nfs/dbraw/zinc/61/78/13/1187617813.db2.gz PLSAPUKCDBPKSH-JKSUJKDBSA-N 2 0 375.521 0.850 20 0 GCADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915957 1187618710 /nfs/dbraw/zinc/61/87/10/1187618710.db2.gz VJBIQDCCXBKPLD-HZPDHXFCSA-N 2 0 375.521 0.708 20 0 GCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612920873 1187620061 /nfs/dbraw/zinc/62/00/61/1187620061.db2.gz MPHVCZDKTNFEFW-HLLBOEOZSA-N 2 0 375.521 0.706 20 0 GCADRP O=C(N[C@H]1CCC[NH2+]CC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612921374 1187620084 /nfs/dbraw/zinc/62/00/84/1187620084.db2.gz QYNYTHWYBCBZMC-HOTGVXAUSA-N 2 0 375.521 0.850 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000658856211 1187653097 /nfs/dbraw/zinc/65/30/97/1187653097.db2.gz UDQPVXJCHJKLBY-LJQANCHMSA-N 2 0 393.576 0.415 20 0 GCADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000589035798 1187726005 /nfs/dbraw/zinc/72/60/05/1187726005.db2.gz NTQGLLXLJJUTJJ-OKZBNKHCSA-N 2 0 379.549 0.070 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173926995 1187742630 /nfs/dbraw/zinc/74/26/30/1187742630.db2.gz ADSAQKDVABGFAU-UHFFFAOYSA-N 2 0 379.509 0.463 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1cnc2n1CCOC2 ZINC000892545288 1187750755 /nfs/dbraw/zinc/75/07/55/1187750755.db2.gz SNKCZGNPSIRDKI-UHFFFAOYSA-N 2 0 399.499 0.820 20 0 GCADRP Cn1[nH]c(=O)c2c1CN(C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000892545822 1187751253 /nfs/dbraw/zinc/75/12/53/1187751253.db2.gz ZANNPCZSGADCKN-UHFFFAOYSA-N 2 0 399.499 0.801 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)CC2)CC1 ZINC000332845187 1187792731 /nfs/dbraw/zinc/79/27/31/1187792731.db2.gz GHIJFFMDVASFEK-QGZVFWFLSA-N 2 0 392.548 0.791 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000658963550 1187821602 /nfs/dbraw/zinc/82/16/02/1187821602.db2.gz RKORCXKMBCALPP-KRWDZBQOSA-N 2 0 384.484 0.774 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)C[C@@H](C)O1 ZINC000658993225 1187833909 /nfs/dbraw/zinc/83/39/09/1187833909.db2.gz IXRAWMYAAIFPMH-ZHALLVOQSA-N 2 0 392.544 0.641 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000659089652 1187872727 /nfs/dbraw/zinc/87/27/27/1187872727.db2.gz FXQLVMCLPLZPML-INIZCTEOSA-N 2 0 376.505 0.621 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000659089654 1187872959 /nfs/dbraw/zinc/87/29/59/1187872959.db2.gz FXQLVMCLPLZPML-MRXNPFEDSA-N 2 0 376.505 0.621 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000659093604 1187875216 /nfs/dbraw/zinc/87/52/16/1187875216.db2.gz ZRQSFDOSTJWQER-UHFFFAOYSA-N 2 0 377.445 0.290 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659098150 1187876111 /nfs/dbraw/zinc/87/61/11/1187876111.db2.gz CKEMSILZPDAELU-UHFFFAOYSA-N 2 0 375.473 0.903 20 0 GCADRP O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659096933 1187877260 /nfs/dbraw/zinc/87/72/60/1187877260.db2.gz FPTGZDRLKPCAMX-IRXDYDNUSA-N 2 0 382.468 0.747 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000659113522 1187890335 /nfs/dbraw/zinc/89/03/35/1187890335.db2.gz WYTJHVDXANMXSM-UHFFFAOYSA-N 2 0 398.467 0.882 20 0 GCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000647600975 1187908116 /nfs/dbraw/zinc/90/81/16/1187908116.db2.gz QRSMYAYDPKZDHF-ZWKOTPCHSA-N 2 0 386.496 0.704 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423498013 1187915805 /nfs/dbraw/zinc/91/58/05/1187915805.db2.gz AWZCDMCSUMUZDW-MSOLQXFVSA-N 2 0 381.565 0.460 20 0 GCADRP CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134915056 1187928008 /nfs/dbraw/zinc/92/80/08/1187928008.db2.gz LDBJDTAMBACMPB-MJGOQNOKSA-N 2 0 391.560 0.168 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000659345082 1187945577 /nfs/dbraw/zinc/94/55/77/1187945577.db2.gz YNZPOWLQCRQITN-OALUTQOASA-N 2 0 393.576 0.556 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344786 1187946047 /nfs/dbraw/zinc/94/60/47/1187946047.db2.gz KQXDZUBIZRMBLL-RTBURBONSA-N 2 0 391.560 0.310 20 0 GCADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000166152022 1187948856 /nfs/dbraw/zinc/94/88/56/1187948856.db2.gz LXORSKSOUUAONL-UXLLHSPISA-N 2 0 376.505 0.916 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000659427659 1187957017 /nfs/dbraw/zinc/95/70/17/1187957017.db2.gz QTKHUWUTSYMNGN-UHFFFAOYSA-N 2 0 399.499 0.258 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659451306 1187960361 /nfs/dbraw/zinc/96/03/61/1187960361.db2.gz OOAPNRNQPYFYHI-UHFFFAOYSA-N 2 0 388.472 0.971 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659452446 1187960920 /nfs/dbraw/zinc/96/09/20/1187960920.db2.gz BVOFGVYWBMKANM-IIDMSEBBSA-N 2 0 381.471 0.955 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000659456310 1187961046 /nfs/dbraw/zinc/96/10/46/1187961046.db2.gz KMEFWQJMGSJISM-HIFRSBDPSA-N 2 0 380.493 0.577 20 0 GCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659493513 1187965433 /nfs/dbraw/zinc/96/54/33/1187965433.db2.gz USJFDCOZNGSCAT-UHFFFAOYSA-N 2 0 389.460 0.366 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000659631574 1187978522 /nfs/dbraw/zinc/97/85/22/1187978522.db2.gz YHBDAHOTVBLCDR-UHFFFAOYSA-N 2 0 392.504 0.675 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[NH+](C)C)c1 ZINC000659674168 1187993633 /nfs/dbraw/zinc/99/36/33/1187993633.db2.gz LCVHSYXCVXPVNG-HFTRVMKXSA-N 2 0 376.501 1.000 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000659688570 1187998243 /nfs/dbraw/zinc/99/82/43/1187998243.db2.gz BIQDNVUGKWKCGY-SFHVURJKSA-N 2 0 393.576 0.367 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000659706692 1188002481 /nfs/dbraw/zinc/00/24/81/1188002481.db2.gz ONRBNBUCCKIWGF-HNNXBMFYSA-N 2 0 395.935 0.692 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659700407 1188004101 /nfs/dbraw/zinc/00/41/01/1188004101.db2.gz JIHHQCXRWKPTCW-GOSISDBHSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000659703406 1188005993 /nfs/dbraw/zinc/00/59/93/1188005993.db2.gz ANCYQLJFJVQKGP-AEFFLSMTSA-N 2 0 390.528 0.872 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000376636298 1188012867 /nfs/dbraw/zinc/01/28/67/1188012867.db2.gz GLXUMWVDUZDPCK-ICSRJNTNSA-N 2 0 379.593 0.933 20 0 GCADRP CC[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000659729935 1188015172 /nfs/dbraw/zinc/01/51/72/1188015172.db2.gz QOUQFHVIORMKBZ-RBUKOAKNSA-N 2 0 387.528 0.996 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000659729927 1188015272 /nfs/dbraw/zinc/01/52/72/1188015272.db2.gz QNSXWDNZNXMBEL-APWZRJJASA-N 2 0 387.528 0.853 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659739522 1188018185 /nfs/dbraw/zinc/01/81/85/1188018185.db2.gz WQEMTJQWHLPCOV-PKOBYXMFSA-N 2 0 392.544 0.594 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000659756341 1188020730 /nfs/dbraw/zinc/02/07/30/1188020730.db2.gz QVCDRZNVLLODJM-JQHSSLGASA-N 2 0 381.565 0.506 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000415304535 1188026979 /nfs/dbraw/zinc/02/69/79/1188026979.db2.gz UFJATSDZRZZFEG-GOSISDBHSA-N 2 0 385.512 0.977 20 0 GCADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000415337694 1188054439 /nfs/dbraw/zinc/05/44/39/1188054439.db2.gz YAYNJWISSLXCQY-KRWDZBQOSA-N 2 0 387.484 0.918 20 0 GCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000415373068 1188065779 /nfs/dbraw/zinc/06/57/79/1188065779.db2.gz SNCOQHFWPFQJSV-INIZCTEOSA-N 2 0 389.500 0.043 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415373945 1188066048 /nfs/dbraw/zinc/06/60/48/1188066048.db2.gz IBTLVUBFXAHEBU-MRXNPFEDSA-N 2 0 375.473 0.774 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415385783 1188067853 /nfs/dbraw/zinc/06/78/53/1188067853.db2.gz OFUJKJUCZREPRH-UHFFFAOYSA-N 2 0 377.489 0.629 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000415408133 1188073694 /nfs/dbraw/zinc/07/36/94/1188073694.db2.gz ZGVGMTYHOIXCHX-UHFFFAOYSA-N 2 0 387.528 0.831 20 0 GCADRP CN(CCC[N@H+](C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1)CC[NH+](C)C ZINC000377601697 1188084303 /nfs/dbraw/zinc/08/43/03/1188084303.db2.gz APEROOSWFVXXPI-UHFFFAOYSA-N 2 0 395.592 0.663 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@H](C)O1 ZINC000377647161 1188094893 /nfs/dbraw/zinc/09/48/93/1188094893.db2.gz LTVIZVBNTMGVCJ-ZIFCJYIRSA-N 2 0 394.560 0.744 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000415536562 1188101972 /nfs/dbraw/zinc/10/19/72/1188101972.db2.gz YMUDKVIERKEIAV-UHFFFAOYSA-N 2 0 375.517 0.878 20 0 GCADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)COCc2ccccc2)(N2CCOCC2)CC1 ZINC000644669385 1188103485 /nfs/dbraw/zinc/10/34/85/1188103485.db2.gz UUHAQXVDUSFMJQ-HXUWFJFHSA-N 2 0 377.529 0.950 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)[C@H](C)C[NH2+]1 ZINC000415552328 1188104724 /nfs/dbraw/zinc/10/47/24/1188104724.db2.gz FLVGVUFUOKBLTA-ZIAGYGMSSA-N 2 0 375.473 0.702 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)[C@@H](C)C[NH2+]1 ZINC000415552324 1188105018 /nfs/dbraw/zinc/10/50/18/1188105018.db2.gz FLVGVUFUOKBLTA-KGLIPLIRSA-N 2 0 375.473 0.702 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2)CC1 ZINC000415556527 1188106596 /nfs/dbraw/zinc/10/65/96/1188106596.db2.gz CTVYNULDBIKSGG-IAGOWNOFSA-N 2 0 387.528 0.971 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000415582875 1188112875 /nfs/dbraw/zinc/11/28/75/1188112875.db2.gz VDDICZBAZBYIHJ-AEFFLSMTSA-N 2 0 387.528 0.958 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000415593744 1188115170 /nfs/dbraw/zinc/11/51/70/1188115170.db2.gz FHRIRSOQWJKUJS-MRXNPFEDSA-N 2 0 396.495 0.806 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000415607906 1188123101 /nfs/dbraw/zinc/12/31/01/1188123101.db2.gz RLASHBFZXMDZTO-QGZVFWFLSA-N 2 0 389.500 0.262 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415675986 1188139330 /nfs/dbraw/zinc/13/93/30/1188139330.db2.gz RCZQYWZUXZSSFV-GASCZTMLSA-N 2 0 387.484 0.583 20 0 GCADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)CC2)CC1 ZINC000584538872 1188144426 /nfs/dbraw/zinc/14/44/26/1188144426.db2.gz CWKICNHNWLWTKU-NRFANRHFSA-N 2 0 378.561 0.756 20 0 GCADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415713295 1188146948 /nfs/dbraw/zinc/14/69/48/1188146948.db2.gz RYBXCFRKRQVKTK-HXUWFJFHSA-N 2 0 399.539 0.770 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000415715776 1188147586 /nfs/dbraw/zinc/14/75/86/1188147586.db2.gz WCKVUGBUBJZJNZ-QGZVFWFLSA-N 2 0 389.500 0.072 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)c1 ZINC000415728673 1188152304 /nfs/dbraw/zinc/15/23/04/1188152304.db2.gz ARXAKODTUHOTMC-UHFFFAOYSA-N 2 0 375.473 0.127 20 0 GCADRP CN(C(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C1C[NH2+]C1 ZINC000415731788 1188152751 /nfs/dbraw/zinc/15/27/51/1188152751.db2.gz GHLKNICYGXSXPO-UHFFFAOYSA-N 2 0 387.484 0.870 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000415751263 1188155520 /nfs/dbraw/zinc/15/55/20/1188155520.db2.gz VVTJYVONTNWTLQ-KGLIPLIRSA-N 2 0 378.448 0.773 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415751285 1188155748 /nfs/dbraw/zinc/15/57/48/1188155748.db2.gz VXIICMCCAQBOPC-IAGOWNOFSA-N 2 0 385.512 0.835 20 0 GCADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415756690 1188157639 /nfs/dbraw/zinc/15/76/39/1188157639.db2.gz FBWVVRXHSXTSCE-DZFIZOCASA-N 2 0 399.495 0.774 20 0 GCADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415762772 1188159574 /nfs/dbraw/zinc/15/95/74/1188159574.db2.gz PLKJVKMBTOWWQA-DZFIZOCASA-N 2 0 399.495 0.774 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H]([NH3+])CC ZINC000415780581 1188163502 /nfs/dbraw/zinc/16/35/02/1188163502.db2.gz CWPZOTGBXBWFRT-AWEZNQCLSA-N 2 0 377.489 0.629 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896746 1188165569 /nfs/dbraw/zinc/16/55/69/1188165569.db2.gz AHMBOIRVGQQREP-RTBURBONSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472905953 1189372989 /nfs/dbraw/zinc/37/29/89/1189372989.db2.gz JKMSKVRLZLPATC-QGZVFWFLSA-N 2 0 396.580 0.254 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000415845950 1189379274 /nfs/dbraw/zinc/37/92/74/1189379274.db2.gz KIUZIWXCIGOONP-GJZGRUSLSA-N 2 0 389.500 0.936 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415848317 1189380073 /nfs/dbraw/zinc/38/00/73/1189380073.db2.gz CVGYOELHJQQTCD-SFHVURJKSA-N 2 0 392.500 0.922 20 0 GCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000415860621 1189384909 /nfs/dbraw/zinc/38/49/09/1189384909.db2.gz HZAKMNYYBUCOQT-SFHVURJKSA-N 2 0 389.500 0.260 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000415873920 1189391781 /nfs/dbraw/zinc/39/17/81/1189391781.db2.gz ZOQBXLSNUHOFCS-QGZVFWFLSA-N 2 0 378.473 0.450 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415880413 1189395037 /nfs/dbraw/zinc/39/50/37/1189395037.db2.gz RQXYZSDJFYJTSA-QWFCFKBJSA-N 2 0 399.539 0.877 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000651333103 1189441733 /nfs/dbraw/zinc/44/17/33/1189441733.db2.gz YLEPXBWVCGVOEN-SFHVURJKSA-N 2 0 394.491 0.401 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000106928685 1189447836 /nfs/dbraw/zinc/44/78/36/1189447836.db2.gz NETSNISCKKXGPE-RCCFBDPRSA-N 2 0 379.549 0.071 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652693090 1189467589 /nfs/dbraw/zinc/46/75/89/1189467589.db2.gz LZYITVLZDYCIEJ-LMMKCTJWSA-N 2 0 392.544 0.722 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000378526452 1189528193 /nfs/dbraw/zinc/52/81/93/1189528193.db2.gz NTQJNIGINCEYLT-CEXWTWQISA-N 2 0 379.549 0.519 20 0 GCADRP C[C@H](O)C[NH+]1CCN(c2nccc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)n2)[C@H](C)C1 ZINC000893258903 1189549782 /nfs/dbraw/zinc/54/97/82/1189549782.db2.gz MCTZQDVNTOGFTO-BDXSIMOUSA-N 2 0 392.548 0.259 20 0 GCADRP C[C@H](O)C[NH+]1CCN(c2nccc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)n2)[C@@H](C)C1 ZINC000893258905 1189550075 /nfs/dbraw/zinc/55/00/75/1189550075.db2.gz MCTZQDVNTOGFTO-OWSLCNJRSA-N 2 0 392.548 0.259 20 0 GCADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)[NH+](C)C)cc1OC ZINC000416824268 1189586733 /nfs/dbraw/zinc/58/67/33/1189586733.db2.gz ZKYIFVOJEZIATH-HOTGVXAUSA-N 2 0 379.505 0.509 20 0 GCADRP COc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)[NH+](C)C)cc1OC ZINC000416824269 1189586990 /nfs/dbraw/zinc/58/69/90/1189586990.db2.gz ZKYIFVOJEZIATH-HZPDHXFCSA-N 2 0 379.505 0.509 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416849242 1189587865 /nfs/dbraw/zinc/58/78/65/1189587865.db2.gz XPYCLOZWBGZCOH-UHFFFAOYSA-N 2 0 388.560 0.399 20 0 GCADRP CC1CC[NH+](CCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000416870957 1189590427 /nfs/dbraw/zinc/59/04/27/1189590427.db2.gz JIWMFXQBDCZBNY-GOSISDBHSA-N 2 0 379.549 0.962 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000416881065 1189591092 /nfs/dbraw/zinc/59/10/92/1189591092.db2.gz ZVEAJXXWJONHQE-IRXDYDNUSA-N 2 0 383.537 0.372 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000416962482 1189601100 /nfs/dbraw/zinc/60/11/00/1189601100.db2.gz AFBAXSUIWZCUGL-GOSISDBHSA-N 2 0 375.517 0.816 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000416971568 1189603921 /nfs/dbraw/zinc/60/39/21/1189603921.db2.gz PTQHCPXLQKLMGT-SFHVURJKSA-N 2 0 375.517 0.816 20 0 GCADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000511594769 1189604886 /nfs/dbraw/zinc/60/48/86/1189604886.db2.gz DCMHNYUPHMLDOP-IAGOWNOFSA-N 2 0 382.549 0.839 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000511597221 1189607198 /nfs/dbraw/zinc/60/71/98/1189607198.db2.gz NYCCIKJPUXHOQB-UHFFFAOYSA-N 2 0 381.565 0.461 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000364036715 1189625084 /nfs/dbraw/zinc/62/50/84/1189625084.db2.gz LZWHRSZNNSPYCE-JXFKEZNVSA-N 2 0 393.532 0.581 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000417159098 1189626012 /nfs/dbraw/zinc/62/60/12/1189626012.db2.gz BUEDRKCJVRJIFD-DOTOQJQBSA-N 2 0 379.480 0.925 20 0 GCADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612919684 1189653303 /nfs/dbraw/zinc/65/33/03/1189653303.db2.gz XCGIRAVDDFYRRF-PMRDEQMMSA-N 2 0 387.532 0.991 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417435350 1189662068 /nfs/dbraw/zinc/66/20/68/1189662068.db2.gz YGDSPIUZKNUFKU-SQNIBIBYSA-N 2 0 379.549 0.960 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000417462722 1189668750 /nfs/dbraw/zinc/66/87/50/1189668750.db2.gz YERQAJXQDHYIAV-SFHVURJKSA-N 2 0 380.489 0.513 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584793042 1189669280 /nfs/dbraw/zinc/66/92/80/1189669280.db2.gz GMMKLCCADFEAMQ-NVXWUHKLSA-N 2 0 375.473 0.080 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417516878 1189676053 /nfs/dbraw/zinc/67/60/53/1189676053.db2.gz PDOGMEVBSJCSIL-DLBZAZTESA-N 2 0 375.521 0.771 20 0 GCADRP [NH3+]C[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417514611 1189677182 /nfs/dbraw/zinc/67/71/82/1189677182.db2.gz JSYONGYRPPPCTK-QGZVFWFLSA-N 2 0 375.521 0.902 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000417757713 1189702819 /nfs/dbraw/zinc/70/28/19/1189702819.db2.gz ULCRBJVAYWVEPG-IRXDYDNUSA-N 2 0 383.537 0.245 20 0 GCADRP [NH3+][C@H](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)Cc1ccccc1 ZINC000578986755 1189717864 /nfs/dbraw/zinc/71/78/64/1189717864.db2.gz WSVATIGNANFSFP-UHOSZYNNSA-N 2 0 385.512 0.693 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCO1 ZINC000418115610 1189724552 /nfs/dbraw/zinc/72/45/52/1189724552.db2.gz OSOQSXUKMACAMQ-IRXDYDNUSA-N 2 0 383.537 0.516 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000418110600 1189724631 /nfs/dbraw/zinc/72/46/31/1189724631.db2.gz FKCJOKHHPLVUKW-HUUCEWRRSA-N 2 0 395.470 0.623 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000418168639 1189730258 /nfs/dbraw/zinc/73/02/58/1189730258.db2.gz LQWABXGPGVFSRR-INIZCTEOSA-N 2 0 382.553 0.042 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000364329048 1189747267 /nfs/dbraw/zinc/74/72/67/1189747267.db2.gz FDAZVPJZSRMZHC-RTBURBONSA-N 2 0 381.565 0.909 20 0 GCADRP C[C@H]1C[NH+](CC2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000418283679 1189747664 /nfs/dbraw/zinc/74/76/64/1189747664.db2.gz AJXZPYGRTGXPEJ-ROUUACIJSA-N 2 0 381.565 0.813 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)C1 ZINC000652693966 1189799293 /nfs/dbraw/zinc/79/92/93/1189799293.db2.gz KMRMESINJGFDRR-ZKXLYKBJSA-N 2 0 378.517 0.474 20 0 GCADRP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000660535829 1189894599 /nfs/dbraw/zinc/89/45/99/1189894599.db2.gz LFGLFROGVHYQAG-GBESFXJTSA-N 2 0 391.560 0.168 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660582853 1189911520 /nfs/dbraw/zinc/91/15/20/1189911520.db2.gz AKSIIFQPXNKATP-QZTJIDSGSA-N 2 0 379.549 0.995 20 0 GCADRP COC(=O)C1CCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000466934426 1189914566 /nfs/dbraw/zinc/91/45/66/1189914566.db2.gz XCGXGXAHGDIBKU-UHFFFAOYSA-N 2 0 381.517 0.975 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660828918 1189955297 /nfs/dbraw/zinc/95/52/97/1189955297.db2.gz CFFQMMLEBFGFGO-MJGOQNOKSA-N 2 0 381.565 0.813 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660852698 1189957561 /nfs/dbraw/zinc/95/75/61/1189957561.db2.gz FVALSLIGIHJREH-ZWKOTPCHSA-N 2 0 395.548 0.482 20 0 GCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900241 1189963548 /nfs/dbraw/zinc/96/35/48/1189963548.db2.gz KRLYUKOEVHYLNK-XLIONFOSSA-N 2 0 378.517 0.111 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000661232739 1190019784 /nfs/dbraw/zinc/01/97/84/1190019784.db2.gz OLPXUCSTMOUVDE-QRVBRYPASA-N 2 0 391.560 0.310 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)CC2)C1 ZINC000662758003 1190021675 /nfs/dbraw/zinc/02/16/75/1190021675.db2.gz NIIJDKLXFYYQPJ-SJORKVTESA-N 2 0 375.521 0.445 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)cn2)CC1 ZINC000662759434 1190021805 /nfs/dbraw/zinc/02/18/05/1190021805.db2.gz WPDGRXCOVNJYEK-KRWDZBQOSA-N 2 0 398.515 0.670 20 0 GCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[C@@H]2C1 ZINC000661403657 1190043737 /nfs/dbraw/zinc/04/37/37/1190043737.db2.gz YAIQTOPSSKTITP-ZWKOTPCHSA-N 2 0 378.517 0.110 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419222972 1193720951 /nfs/dbraw/zinc/72/09/51/1193720951.db2.gz XUMMAGYUCLGHLF-HRCADAONSA-N 2 0 376.501 0.718 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419222975 1193720966 /nfs/dbraw/zinc/72/09/66/1193720966.db2.gz XUMMAGYUCLGHLF-OAGGEKHMSA-N 2 0 376.501 0.718 20 0 GCADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1CCCC[C@H]1C ZINC000512665129 1193729380 /nfs/dbraw/zinc/72/93/80/1193729380.db2.gz DQSSIXKYNKTWTE-MOPGFXCFSA-N 2 0 383.581 0.939 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419229112 1193736585 /nfs/dbraw/zinc/73/65/85/1193736585.db2.gz NQLDKIULPKTGHK-OGWHTMIXSA-N 2 0 388.512 0.445 20 0 GCADRP C[C@@H]1CN(c2cnc(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)cn2)C[C@H](C)[NH+]1CCO ZINC000663973164 1193743463 /nfs/dbraw/zinc/74/34/63/1193743463.db2.gz WXYHSQAVNRJPQW-USTZCAOPSA-N 2 0 392.548 0.259 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433149175 1193765905 /nfs/dbraw/zinc/76/59/05/1193765905.db2.gz CUYDNWSOFLMBMA-UHFFFAOYSA-N 3 0 389.544 0.798 20 0 GCADRP Cc1nn(C)c(C)c1CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433169355 1193772996 /nfs/dbraw/zinc/77/29/96/1193772996.db2.gz QSTPSTQTNHCPEL-UHFFFAOYSA-N 2 0 376.549 0.884 20 0 GCADRP C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433176289 1193774151 /nfs/dbraw/zinc/77/41/51/1193774151.db2.gz OHATVUBIVNOUSW-KRWDZBQOSA-N 2 0 393.576 0.781 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000419265404 1193774927 /nfs/dbraw/zinc/77/49/27/1193774927.db2.gz DREMPWBTCYTAIB-MOPGFXCFSA-N 2 0 388.512 0.863 20 0 GCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000419266829 1193775803 /nfs/dbraw/zinc/77/58/03/1193775803.db2.gz HXQPGJRBMVXOOD-UHFFFAOYSA-N 2 0 375.517 0.166 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)CCCCC1 ZINC000419273749 1193780547 /nfs/dbraw/zinc/78/05/47/1193780547.db2.gz XFRXRMCUYQCEPR-UHFFFAOYSA-N 2 0 388.512 0.913 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419283841 1193786268 /nfs/dbraw/zinc/78/62/68/1193786268.db2.gz NQZKZLIIECIHEM-GJZGRUSLSA-N 2 0 391.491 0.575 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000419287938 1193787259 /nfs/dbraw/zinc/78/72/59/1193787259.db2.gz SCUNKQPRLRGTFP-SFHVURJKSA-N 2 0 393.576 0.556 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419287543 1193787291 /nfs/dbraw/zinc/78/72/91/1193787291.db2.gz ROPUKMBSZSKZAQ-CABCVRRESA-N 2 0 393.507 0.869 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419289264 1193789341 /nfs/dbraw/zinc/78/93/41/1193789341.db2.gz UCPJFHRJUXSWCA-GDBMZVCRSA-N 2 0 391.491 0.704 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)CC1 ZINC000419293324 1193789970 /nfs/dbraw/zinc/78/99/70/1193789970.db2.gz ZIHVPFOWMGOPBS-IBGZPJMESA-N 2 0 393.576 0.685 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419293875 1193792053 /nfs/dbraw/zinc/79/20/53/1193792053.db2.gz BMWBYUWCAVVGMS-HOCLYGCPSA-N 2 0 391.491 0.704 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419306214 1193797753 /nfs/dbraw/zinc/79/77/53/1193797753.db2.gz XVIMDSGOIKKCPE-UONOGXRCSA-N 2 0 379.480 0.608 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419303008 1193798125 /nfs/dbraw/zinc/79/81/25/1193798125.db2.gz RCJUDKQDJJZLCD-GJZGRUSLSA-N 2 0 393.507 0.726 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000419305027 1193799072 /nfs/dbraw/zinc/79/90/72/1193799072.db2.gz VVNQUWSKOYRDON-HOCLYGCPSA-N 2 0 391.491 0.575 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000419305025 1193799164 /nfs/dbraw/zinc/79/91/64/1193799164.db2.gz VVNQUWSKOYRDON-GDBMZVCRSA-N 2 0 391.491 0.575 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324807 1193807531 /nfs/dbraw/zinc/80/75/31/1193807531.db2.gz CPRJCXMATSXKQZ-MSOLQXFVSA-N 2 0 397.564 0.729 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)cc1 ZINC000419328090 1193821428 /nfs/dbraw/zinc/82/14/28/1193821428.db2.gz DMJFQFSYAPKMFS-UHFFFAOYSA-N 2 0 376.501 0.973 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000419329971 1193822009 /nfs/dbraw/zinc/82/20/09/1193822009.db2.gz FQOSCAMFSLTIQY-LJQANCHMSA-N 2 0 387.528 0.261 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419330641 1193823039 /nfs/dbraw/zinc/82/30/39/1193823039.db2.gz GNHFOLNHQMIXSR-LJQANCHMSA-N 2 0 389.544 0.540 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC000433395943 1193825241 /nfs/dbraw/zinc/82/52/41/1193825241.db2.gz BUQCVPOYUFANBO-IAGOWNOFSA-N 2 0 383.537 0.374 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000419336450 1193830104 /nfs/dbraw/zinc/83/01/04/1193830104.db2.gz KKKJJWNTQXDWAG-LJQANCHMSA-N 2 0 387.528 0.390 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419338587 1193831955 /nfs/dbraw/zinc/83/19/55/1193831955.db2.gz LKWDMZJJFVNMSC-NVXWUHKLSA-N 2 0 376.501 0.829 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000419336842 1193832036 /nfs/dbraw/zinc/83/20/36/1193832036.db2.gz AWBZOBGKRYPSDY-ROUUACIJSA-N 2 0 376.501 0.160 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000419336844 1193832310 /nfs/dbraw/zinc/83/23/10/1193832310.db2.gz AWBZOBGKRYPSDY-ZWKOTPCHSA-N 2 0 376.501 0.160 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000419342735 1193834695 /nfs/dbraw/zinc/83/46/95/1193834695.db2.gz QBSQVSGAUWQCJE-UHFFFAOYSA-N 2 0 399.539 0.476 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000419343633 1193836086 /nfs/dbraw/zinc/83/60/86/1193836086.db2.gz QWCDHDOBXSKXJF-VQIMIIECSA-N 2 0 387.528 0.246 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000419341657 1193836170 /nfs/dbraw/zinc/83/61/70/1193836170.db2.gz OMWBPDYNUUYCQS-IBGZPJMESA-N 2 0 387.528 0.294 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000150994177 1193846433 /nfs/dbraw/zinc/84/64/33/1193846433.db2.gz DPRGZZOPZBCDAZ-UHFFFAOYSA-N 2 0 382.549 0.842 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419353546 1193848241 /nfs/dbraw/zinc/84/82/41/1193848241.db2.gz JVUHEJSLRWHYEG-PBHICJAKSA-N 2 0 398.454 0.221 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCO1 ZINC000433462832 1193866117 /nfs/dbraw/zinc/86/61/17/1193866117.db2.gz LZYPFSBOSDXERZ-SFHVURJKSA-N 2 0 395.548 0.437 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419364874 1193869984 /nfs/dbraw/zinc/86/99/84/1193869984.db2.gz XEMFCDJULBHELR-QGZVFWFLSA-N 3 0 390.532 0.200 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419372398 1193875710 /nfs/dbraw/zinc/87/57/10/1193875710.db2.gz KPHSLTFPQSAZCF-ZWKOTPCHSA-N 2 0 388.512 0.167 20 0 GCADRP CN1CCO[C@H]([C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386822 1193895846 /nfs/dbraw/zinc/89/58/46/1193895846.db2.gz IYLUENHNFZWDCO-GJZGRUSLSA-N 2 0 382.892 0.681 20 0 GCADRP CN1CCO[C@@H]([C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386821 1193896011 /nfs/dbraw/zinc/89/60/11/1193896011.db2.gz IYLUENHNFZWDCO-CABCVRRESA-N 2 0 382.892 0.681 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000419389457 1193900271 /nfs/dbraw/zinc/90/02/71/1193900271.db2.gz FIJUUWUUHINTCV-FXAWDEMLSA-N 2 0 390.553 0.918 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513457155 1193952977 /nfs/dbraw/zinc/95/29/77/1193952977.db2.gz HYOZHIVEAWZGTQ-MRXNPFEDSA-N 2 0 382.549 0.650 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000513474828 1193955462 /nfs/dbraw/zinc/95/54/62/1193955462.db2.gz HRYAUJHWXFHSEN-CVEARBPZSA-N 2 0 382.549 0.791 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261807119 1194010643 /nfs/dbraw/zinc/01/06/43/1194010643.db2.gz JGMJRPRGXBFMIN-IEBWSBKVSA-N 3 0 393.576 0.556 20 0 GCADRP CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000466943544 1194012054 /nfs/dbraw/zinc/01/20/54/1194012054.db2.gz PQMKBCQZHQRHEO-QZTJIDSGSA-N 2 0 388.516 0.693 20 0 GCADRP COCC[NH+](C)CCCNC(=O)/C=C/C=C/C(=O)NCCC[N@@H+](C)CCOC ZINC000280755550 1194018045 /nfs/dbraw/zinc/01/80/45/1194018045.db2.gz AMRQUIHFIUERHK-NXZHAISVSA-N 2 0 398.548 0.268 20 0 GCADRP O=C(NC[C@H]1CSCCN1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419404254 1194020729 /nfs/dbraw/zinc/02/07/29/1194020729.db2.gz SQVAWRNCRHCLQI-KSZLIROESA-N 2 0 388.537 0.398 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419406441 1194021492 /nfs/dbraw/zinc/02/14/92/1194021492.db2.gz WVMXMQQQLLOYCZ-YTQUADARSA-N 2 0 388.512 0.508 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419406808 1194021569 /nfs/dbraw/zinc/02/15/69/1194021569.db2.gz JIDFFAXYQRAZFQ-MAZHCROVSA-N 2 0 380.464 0.774 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419420616 1194023259 /nfs/dbraw/zinc/02/32/59/1194023259.db2.gz NQWURSRJEXQCFD-UHFFFAOYSA-N 2 0 399.539 0.346 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419421268 1194024461 /nfs/dbraw/zinc/02/44/61/1194024461.db2.gz OKEZDKDZGHJZAZ-IBGZPJMESA-N 2 0 389.544 0.410 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419421275 1194024529 /nfs/dbraw/zinc/02/45/29/1194024529.db2.gz OLMLGLGICWAAOD-HXUWFJFHSA-N 2 0 399.539 0.517 20 0 GCADRP C[C@H](Cn1cccn1)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419424403 1194025582 /nfs/dbraw/zinc/02/55/82/1194025582.db2.gz NXYKGVSVWBNGNZ-QGZVFWFLSA-N 2 0 398.511 0.498 20 0 GCADRP [NH3+]CC1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000419426556 1194026372 /nfs/dbraw/zinc/02/63/72/1194026372.db2.gz XUSUZKKLUKICIG-UHFFFAOYSA-N 2 0 387.528 0.512 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000419427028 1194027135 /nfs/dbraw/zinc/02/71/35/1194027135.db2.gz YGRDBEWCZPZUMT-PKOBYXMFSA-N 2 0 387.528 0.511 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427179 1194027158 /nfs/dbraw/zinc/02/71/58/1194027158.db2.gz YTUZSNOGOCLUBF-RTBURBONSA-N 2 0 387.528 0.335 20 0 GCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427144 1194027716 /nfs/dbraw/zinc/02/77/16/1194027716.db2.gz YOICSTYSWLJREV-WMZOPIPTSA-N 2 0 375.517 0.192 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419411375 1194029728 /nfs/dbraw/zinc/02/97/28/1194029728.db2.gz BHSMHFASRVKYJI-GOSISDBHSA-N 2 0 387.528 0.431 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419411376 1194029997 /nfs/dbraw/zinc/02/99/97/1194029997.db2.gz BHSMHFASRVKYJI-SFHVURJKSA-N 2 0 387.528 0.431 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419413803 1194030412 /nfs/dbraw/zinc/03/04/12/1194030412.db2.gz FYXCRHGRXFJXEK-IEBWSBKVSA-N 2 0 389.544 0.596 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419445690 1194035483 /nfs/dbraw/zinc/03/54/83/1194035483.db2.gz FBQXQFPRVNGGOO-KURKYZTESA-N 2 0 387.528 0.557 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419445188 1194035529 /nfs/dbraw/zinc/03/55/29/1194035529.db2.gz DOKVZIUIJRUULI-YQVWRLOYSA-N 2 0 387.528 0.509 20 0 GCADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C(=O)NCC[NH3+])CC1 ZINC000419468487 1194043247 /nfs/dbraw/zinc/04/32/47/1194043247.db2.gz WYCVMKAFKKYMGB-UHFFFAOYSA-N 2 0 387.406 0.148 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419532455 1194050344 /nfs/dbraw/zinc/05/03/44/1194050344.db2.gz MTTNGCSPCVJYCL-ATLSCFEFSA-N 2 0 388.512 0.852 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N(C)CC[NH3+])CC2)c1 ZINC000419513708 1194051054 /nfs/dbraw/zinc/05/10/54/1194051054.db2.gz MRUFBWIONUTEMX-UHFFFAOYSA-N 2 0 375.517 0.431 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCC3([NH3+])CCC3)CC2)c1 ZINC000419516494 1194052664 /nfs/dbraw/zinc/05/26/64/1194052664.db2.gz UBKDNZROYSZAEY-UHFFFAOYSA-N 2 0 387.528 0.621 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000419523114 1194053929 /nfs/dbraw/zinc/05/39/29/1194053929.db2.gz ACAOBCBMWISIOB-GOSISDBHSA-N 2 0 376.501 0.680 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419522749 1194053953 /nfs/dbraw/zinc/05/39/53/1194053953.db2.gz NJRKIIDYZCBVQX-DLBZAZTESA-N 2 0 395.548 0.069 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000419544762 1194057092 /nfs/dbraw/zinc/05/70/92/1194057092.db2.gz LJRSNFOOYWNPBO-XIRDDKMYSA-N 2 0 382.549 0.824 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000419549847 1194057648 /nfs/dbraw/zinc/05/76/48/1194057648.db2.gz VWJOVUORZOIQPY-WDSOQIARSA-N 2 0 390.528 0.926 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419606654 1194065279 /nfs/dbraw/zinc/06/52/79/1194065279.db2.gz VDROJGXWIOSJHP-GOSISDBHSA-N 2 0 390.528 0.749 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCSC1 ZINC000419587681 1194066182 /nfs/dbraw/zinc/06/61/82/1194066182.db2.gz QCPGJZAMKKZDRG-IBGZPJMESA-N 2 0 378.542 0.918 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419594717 1194067202 /nfs/dbraw/zinc/06/72/02/1194067202.db2.gz UYPWPQDQIQHJJZ-KSZLIROESA-N 2 0 380.533 0.722 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H](C)[NH2+]1 ZINC000419597733 1194068592 /nfs/dbraw/zinc/06/85/92/1194068592.db2.gz HGQAAMQQAIKXDH-HZPDHXFCSA-N 2 0 388.512 0.468 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000419654467 1194074116 /nfs/dbraw/zinc/07/41/16/1194074116.db2.gz GMRLATUUGXVSRF-MAUKXSAKSA-N 2 0 376.501 0.481 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000419650160 1194076986 /nfs/dbraw/zinc/07/69/86/1194076986.db2.gz CEUZKPQBBMGQLL-HZPDHXFCSA-N 2 0 376.501 0.495 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419666318 1194077928 /nfs/dbraw/zinc/07/79/28/1194077928.db2.gz WAECBOOBDMEIRM-MSOLQXFVSA-N 2 0 388.512 0.701 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419665731 1194077986 /nfs/dbraw/zinc/07/79/86/1194077986.db2.gz UXBLSPAXLJADJK-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000419666319 1194078289 /nfs/dbraw/zinc/07/82/89/1194078289.db2.gz WAECBOOBDMEIRM-QZTJIDSGSA-N 2 0 388.512 0.701 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665491 1194078352 /nfs/dbraw/zinc/07/83/52/1194078352.db2.gz ORTWUAAXLHOOJX-WMLDXEAASA-N 2 0 389.500 0.643 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419668434 1194078693 /nfs/dbraw/zinc/07/86/93/1194078693.db2.gz YHWLWMBCNBIHJH-JKSUJKDBSA-N 2 0 376.501 0.842 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000419668544 1194078713 /nfs/dbraw/zinc/07/87/13/1194078713.db2.gz YRRPCASWCLWLJJ-KRWDZBQOSA-N 2 0 376.501 0.749 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C[NH3+] ZINC000419666255 1194078898 /nfs/dbraw/zinc/07/88/98/1194078898.db2.gz VQQXJFZRYACKGJ-LPHOPBHVSA-N 2 0 390.528 0.872 20 0 GCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419673124 1194079213 /nfs/dbraw/zinc/07/92/13/1194079213.db2.gz BOIDCPFHBZNXEY-UHFFFAOYSA-N 2 0 387.528 0.132 20 0 GCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000419659075 1194081862 /nfs/dbraw/zinc/08/18/62/1194081862.db2.gz ZURMGMUBDFDDRS-RDJZCZTQSA-N 2 0 376.501 0.727 20 0 GCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419686470 1194084699 /nfs/dbraw/zinc/08/46/99/1194084699.db2.gz OFDYDAJDODGDPO-INIZCTEOSA-N 2 0 380.533 0.642 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C1CCCC1 ZINC000419697674 1194087776 /nfs/dbraw/zinc/08/77/76/1194087776.db2.gz QXHIDQGQHMUXBF-QZTJIDSGSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419725637 1194088437 /nfs/dbraw/zinc/08/84/37/1194088437.db2.gz SQQJGPYXHXUDKB-QAPCUYQASA-N 2 0 388.512 0.996 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419720942 1194092656 /nfs/dbraw/zinc/09/26/56/1194092656.db2.gz GIANKXJXPOMTCN-ROUUACIJSA-N 2 0 376.501 0.715 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419720936 1194092770 /nfs/dbraw/zinc/09/27/70/1194092770.db2.gz GIANKXJXPOMTCN-MSOLQXFVSA-N 2 0 376.501 0.715 20 0 GCADRP [NH3+]CCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419745297 1194095362 /nfs/dbraw/zinc/09/53/62/1194095362.db2.gz OVEIXDQMZQQCBG-UHFFFAOYSA-N 2 0 395.935 0.823 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000419748164 1194095877 /nfs/dbraw/zinc/09/58/77/1194095877.db2.gz FMJZHHSKGPBXEO-XIRDDKMYSA-N 2 0 380.533 0.578 20 0 GCADRP [NH3+]CCN(CCO)C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000419747020 1194095930 /nfs/dbraw/zinc/09/59/30/1194095930.db2.gz RPWFIENLOGOZSF-UHFFFAOYSA-N 2 0 396.919 0.448 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419749453 1194096137 /nfs/dbraw/zinc/09/61/37/1194096137.db2.gz GVMJNEZZNWBMIB-INIZCTEOSA-N 2 0 382.549 0.886 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CCCC2)CC1 ZINC000419750790 1194096629 /nfs/dbraw/zinc/09/66/29/1194096629.db2.gz JBCCFHDDDKYRGH-HOTGVXAUSA-N 2 0 380.533 0.722 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000419750801 1194096711 /nfs/dbraw/zinc/09/67/11/1194096711.db2.gz JBGBDXNFTCRUIO-UHFFFAOYSA-N 2 0 382.549 0.840 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CCCC2)CC1 ZINC000419752504 1194097255 /nfs/dbraw/zinc/09/72/55/1194097255.db2.gz MFTHSZUYKLRHLM-HZPDHXFCSA-N 2 0 380.533 0.735 20 0 GCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000419755928 1194097651 /nfs/dbraw/zinc/09/76/51/1194097651.db2.gz RHTQZCCTHGVUPA-UHFFFAOYSA-N 2 0 382.549 0.840 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419754492 1194097848 /nfs/dbraw/zinc/09/78/48/1194097848.db2.gz OYVPBIDGJIDGPR-KRWDZBQOSA-N 2 0 376.501 0.808 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CCCC2)CC1 ZINC000419753593 1194097951 /nfs/dbraw/zinc/09/79/51/1194097951.db2.gz NYWUCDGXVVUFMQ-SJORKVTESA-N 2 0 394.560 0.970 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000419739002 1194099412 /nfs/dbraw/zinc/09/94/12/1194099412.db2.gz ZRGCLGDWCPXOFQ-INIZCTEOSA-N 2 0 376.501 0.680 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419769216 1194102135 /nfs/dbraw/zinc/10/21/35/1194102135.db2.gz DKRUXIHZMBPPGG-JKSUJKDBSA-N 2 0 395.548 0.069 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000419817250 1194108999 /nfs/dbraw/zinc/10/89/99/1194108999.db2.gz REYZPNIIGQCJKG-GOSISDBHSA-N 2 0 376.501 0.762 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824208 1194110465 /nfs/dbraw/zinc/11/04/65/1194110465.db2.gz MMAXPRCTAADPCP-SJORKVTESA-N 2 0 381.565 0.271 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419833118 1194116604 /nfs/dbraw/zinc/11/66/04/1194116604.db2.gz SJTSCQDTFOKUMP-AEFFLSMTSA-N 2 0 381.565 0.400 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419838543 1194118265 /nfs/dbraw/zinc/11/82/65/1194118265.db2.gz GAEUDPCQHSWGMF-SOLBZPMBSA-N 2 0 380.533 0.593 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419845102 1194119841 /nfs/dbraw/zinc/11/98/41/1194119841.db2.gz PJKZIGRBIFAYFP-UHOSZYNNSA-N 2 0 393.576 0.650 20 0 GCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419854515 1194121900 /nfs/dbraw/zinc/12/19/00/1194121900.db2.gz GTZCBKHVNPWUGU-GOSISDBHSA-N 2 0 380.533 0.453 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419857383 1194122955 /nfs/dbraw/zinc/12/29/55/1194122955.db2.gz KCXCIMXSCALPDR-KZNAEPCWSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419857381 1194123156 /nfs/dbraw/zinc/12/31/56/1194123156.db2.gz KCXCIMXSCALPDR-KURKYZTESA-N 2 0 379.549 0.119 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000419857407 1194123197 /nfs/dbraw/zinc/12/31/97/1194123197.db2.gz KEMDQCZEBVDWOB-KRWDZBQOSA-N 2 0 376.501 0.701 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000419859382 1194124122 /nfs/dbraw/zinc/12/41/22/1194124122.db2.gz YULVJQUUGCNDDR-UHFFFAOYSA-N 2 0 393.576 0.513 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419860699 1194124154 /nfs/dbraw/zinc/12/41/54/1194124154.db2.gz CJRCZTVYWQLWQA-SFHVURJKSA-N 2 0 379.549 0.311 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000419861459 1194124487 /nfs/dbraw/zinc/12/44/87/1194124487.db2.gz DXMFQVXOMPXGSU-IBGZPJMESA-N 2 0 393.576 0.513 20 0 GCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)C2)CC1 ZINC000419863106 1194124919 /nfs/dbraw/zinc/12/49/19/1194124919.db2.gz HMOVAAZKFRXBBK-LJQANCHMSA-N 2 0 393.576 0.368 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC2CCC([NH3+])CC2)c1 ZINC000419862612 1194125115 /nfs/dbraw/zinc/12/51/15/1194125115.db2.gz DCIGDXBNMMMXIL-UHFFFAOYSA-N 2 0 376.501 0.972 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419864336 1194125262 /nfs/dbraw/zinc/12/52/62/1194125262.db2.gz IMXMYXCSVUAHHG-IBGZPJMESA-N 2 0 387.528 0.036 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000419867104 1194126129 /nfs/dbraw/zinc/12/61/29/1194126129.db2.gz KTFJBBQIOKBIOA-UHFFFAOYSA-N 2 0 393.576 0.513 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000419867915 1194126828 /nfs/dbraw/zinc/12/68/28/1194126828.db2.gz LGSOXSWLTQAFQC-UHFFFAOYSA-N 2 0 387.528 0.132 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419875556 1194129612 /nfs/dbraw/zinc/12/96/12/1194129612.db2.gz HFLWHXTUDYRFDN-JQHSSLGASA-N 2 0 379.549 0.260 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000419903027 1194137240 /nfs/dbraw/zinc/13/72/40/1194137240.db2.gz URCRJIBRPFQDAS-RBUKOAKNSA-N 2 0 388.512 0.811 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419901769 1194137263 /nfs/dbraw/zinc/13/72/63/1194137263.db2.gz UPVAHPMYZAVJQC-NUJGCVRESA-N 2 0 380.533 0.593 20 0 GCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419876703 1194137902 /nfs/dbraw/zinc/13/79/02/1194137902.db2.gz IAJRRLSEYXDLOU-UHFFFAOYSA-N 2 0 381.565 0.368 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000419913905 1194137958 /nfs/dbraw/zinc/13/79/58/1194137958.db2.gz NECAJGWUNHYGLZ-QGZVFWFLSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000419914290 1194138052 /nfs/dbraw/zinc/13/80/52/1194138052.db2.gz BQPNAIUUMXYLSI-QFBILLFUSA-N 2 0 387.528 0.430 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000419928547 1194140483 /nfs/dbraw/zinc/14/04/83/1194140483.db2.gz LBQAXYFKOPUQSG-KRWDZBQOSA-N 2 0 383.452 0.555 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419907476 1194141662 /nfs/dbraw/zinc/14/16/62/1194141662.db2.gz XMOZRZXDHHWYFG-CABCVRRESA-N 2 0 375.473 0.243 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933445 1194144727 /nfs/dbraw/zinc/14/47/27/1194144727.db2.gz GZBGPNKHVIVQGA-NQIIRXRSSA-N 2 0 388.512 0.340 20 0 GCADRP CN1CCC(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000419938015 1194145508 /nfs/dbraw/zinc/14/55/08/1194145508.db2.gz OPLJWGSCGURMDG-QGZVFWFLSA-N 2 0 379.549 0.311 20 0 GCADRP CC[C@]1(COC)NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000419959256 1194147286 /nfs/dbraw/zinc/14/72/86/1194147286.db2.gz XBHCQZRYBFJITB-LJQANCHMSA-N 2 0 375.473 0.941 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419970529 1194149683 /nfs/dbraw/zinc/14/96/83/1194149683.db2.gz VCPAGQPOFIYJKN-MRXNPFEDSA-N 2 0 389.500 0.763 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419971807 1194150044 /nfs/dbraw/zinc/15/00/44/1194150044.db2.gz XJMDYQBFBJERSH-QGZVFWFLSA-N 2 0 395.548 0.023 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419978619 1194151317 /nfs/dbraw/zinc/15/13/17/1194151317.db2.gz OLFGUTIDISBOLK-KSZLIROESA-N 2 0 381.565 0.493 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419981256 1194151796 /nfs/dbraw/zinc/15/17/96/1194151796.db2.gz TWTFHOTZLGDALU-GHTZIAJQSA-N 2 0 390.528 0.571 20 0 GCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419988599 1194153450 /nfs/dbraw/zinc/15/34/50/1194153450.db2.gz ZTPHAQNYNJUQJD-QZTJIDSGSA-N 2 0 379.549 0.121 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419995090 1194154524 /nfs/dbraw/zinc/15/45/24/1194154524.db2.gz HSAOJBCPZJIZCJ-LMMKCTJWSA-N 2 0 394.560 0.983 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419998639 1194154959 /nfs/dbraw/zinc/15/49/59/1194154959.db2.gz NGOXPPZBSIRADA-IBGZPJMESA-N 2 0 389.544 0.362 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419998640 1194155096 /nfs/dbraw/zinc/15/50/96/1194155096.db2.gz NGOXPPZBSIRADA-LJQANCHMSA-N 2 0 389.544 0.362 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419999551 1194155482 /nfs/dbraw/zinc/15/54/82/1194155482.db2.gz NAHYEWAYWPASTR-RXVVDRJESA-N 2 0 388.512 0.340 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000420001820 1194155604 /nfs/dbraw/zinc/15/56/04/1194155604.db2.gz QKCBBBKEJJQIHQ-DLBZAZTESA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000420004706 1194156210 /nfs/dbraw/zinc/15/62/10/1194156210.db2.gz ZMLDHZIAFCMYDG-INIZCTEOSA-N 2 0 391.516 0.129 20 0 GCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420027536 1194159829 /nfs/dbraw/zinc/15/98/29/1194159829.db2.gz CMSJIWDUOXYMMH-MOPGFXCFSA-N 2 0 394.560 0.971 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420019080 1194162802 /nfs/dbraw/zinc/16/28/02/1194162802.db2.gz QPVWRUKVLPBGCT-ZAWLATJESA-N 2 0 394.560 0.968 20 0 GCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420040456 1194166305 /nfs/dbraw/zinc/16/63/05/1194166305.db2.gz ZWWBFRAOZIBQNP-UPMGZUDPSA-N 2 0 392.544 0.579 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420049112 1194169670 /nfs/dbraw/zinc/16/96/70/1194169670.db2.gz YCZHXAWXZZDNQO-WBVHZDCISA-N 2 0 396.532 0.319 20 0 GCADRP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420084514 1194174507 /nfs/dbraw/zinc/17/45/07/1194174507.db2.gz ABKOXTUYQZTDHU-ZWKOTPCHSA-N 2 0 393.576 0.780 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C[C@H]1[NH+](C)C ZINC000420102875 1194178450 /nfs/dbraw/zinc/17/84/50/1194178450.db2.gz QMFHHWHXROZJBJ-AXYPVASZSA-N 2 0 394.466 0.935 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C[C@H]1[NH+](C)C ZINC000420102877 1194178730 /nfs/dbraw/zinc/17/87/30/1194178730.db2.gz QMFHHWHXROZJBJ-KBEZCGTCSA-N 2 0 394.466 0.935 20 0 GCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000420103736 1194179004 /nfs/dbraw/zinc/17/90/04/1194179004.db2.gz RQPLEIRKZHILNF-CPUCHLNUSA-N 2 0 380.439 0.689 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420111447 1194181482 /nfs/dbraw/zinc/18/14/82/1194181482.db2.gz WUAURXQPYVYLRP-FVJLSDCUSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000420111471 1194181525 /nfs/dbraw/zinc/18/15/25/1194181525.db2.gz WUEARFKETRMBSV-OXJNMPFZSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420090668 1194182594 /nfs/dbraw/zinc/18/25/94/1194182594.db2.gz DXVZNXQJSIVOKX-DBXWQHBBSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420093607 1194183699 /nfs/dbraw/zinc/18/36/99/1194183699.db2.gz WYXFNXUIYLTRDR-CALCHBBNSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@]1(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000420113790 1194185314 /nfs/dbraw/zinc/18/53/14/1194185314.db2.gz YNFSFBKPIMECJY-FQEVSTJZSA-N 2 0 380.533 0.596 20 0 GCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420119167 1194187105 /nfs/dbraw/zinc/18/71/05/1194187105.db2.gz NEXKAVFMLUFYCT-BLIXFSHQSA-N 2 0 388.512 0.196 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420125438 1194188875 /nfs/dbraw/zinc/18/88/75/1194188875.db2.gz PVOHTFHNXLIBQF-GHTZIAJQSA-N 2 0 390.528 0.716 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)c1 ZINC000420128114 1194189389 /nfs/dbraw/zinc/18/93/89/1194189389.db2.gz UIXIOKWGLSQZGB-UHFFFAOYSA-N 2 0 375.473 0.245 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420140746 1194192300 /nfs/dbraw/zinc/19/23/00/1194192300.db2.gz HASRVJKOWYORLG-XYJFISCASA-N 2 0 382.549 0.968 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN1C1CC[NH+](C)CC1 ZINC000420154512 1194194986 /nfs/dbraw/zinc/19/49/86/1194194986.db2.gz CEYIBOIIYGFPBS-SJLPKXTDSA-N 2 0 393.576 0.508 20 0 GCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420182060 1194197036 /nfs/dbraw/zinc/19/70/36/1194197036.db2.gz FDYQBMPEHDIEHP-SFHVURJKSA-N 2 0 382.549 0.842 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000420183230 1194197785 /nfs/dbraw/zinc/19/77/85/1194197785.db2.gz GNNIDGUUWGHGPF-NVXWUHKLSA-N 2 0 376.501 0.829 20 0 GCADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261814876 1194199058 /nfs/dbraw/zinc/19/90/58/1194199058.db2.gz JVONRHFWXKRKAD-JQHSSLGASA-N 2 0 388.516 0.496 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420174612 1194201268 /nfs/dbraw/zinc/20/12/68/1194201268.db2.gz YVBKLUXURNIDCG-KRWDZBQOSA-N 2 0 389.500 0.633 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000420173357 1194201439 /nfs/dbraw/zinc/20/14/39/1194201439.db2.gz VBHCVUAJLLSFFA-QGZVFWFLSA-N 2 0 382.549 0.842 20 0 GCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420174757 1194201952 /nfs/dbraw/zinc/20/19/52/1194201952.db2.gz ZDKUYLBKFGOASF-SFHVURJKSA-N 2 0 394.560 0.984 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000501600996 1194202026 /nfs/dbraw/zinc/20/20/26/1194202026.db2.gz UEHLAIRHNUCQML-MSOLQXFVSA-N 2 0 394.560 0.842 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000420203898 1194204962 /nfs/dbraw/zinc/20/49/62/1194204962.db2.gz LLWYFULBJBURKR-BRWVUGGUSA-N 2 0 376.501 0.983 20 0 GCADRP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420188516 1194206123 /nfs/dbraw/zinc/20/61/23/1194206123.db2.gz NALLDAOBBNWZTR-MOPGFXCFSA-N 2 0 388.512 0.604 20 0 GCADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH2+][C@H](C)c1ccccc1 ZINC000420187773 1194206545 /nfs/dbraw/zinc/20/65/45/1194206545.db2.gz BXYSYRYXAGWCJH-BHIYHBOVSA-N 2 0 390.528 0.973 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420190204 1194207318 /nfs/dbraw/zinc/20/73/18/1194207318.db2.gz PBQRBARHKYSAIF-QGZVFWFLSA-N 2 0 380.464 0.211 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420194689 1194209049 /nfs/dbraw/zinc/20/90/49/1194209049.db2.gz SSRKROOSSWRZHR-PKOBYXMFSA-N 2 0 394.560 0.984 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624370 1194210468 /nfs/dbraw/zinc/21/04/68/1194210468.db2.gz NSCIUXJPHZHAPA-RTBURBONSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H]1COCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420206791 1194210928 /nfs/dbraw/zinc/21/09/28/1194210928.db2.gz PRJJRXURKPGAMD-QGZVFWFLSA-N 2 0 388.512 0.591 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501610623 1194211659 /nfs/dbraw/zinc/21/16/59/1194211659.db2.gz FCBIHIIXIKBKMJ-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501612467 1194212469 /nfs/dbraw/zinc/21/24/69/1194212469.db2.gz ODAVOUWKEQKIHE-GOSISDBHSA-N 2 0 394.560 0.938 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCCO1 ZINC000501619562 1194214624 /nfs/dbraw/zinc/21/46/24/1194214624.db2.gz CCCAJQWVROXVJI-HKUYNNGSSA-N 2 0 394.560 0.984 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000501634512 1194216071 /nfs/dbraw/zinc/21/60/71/1194216071.db2.gz AOUKBRUBLYWBPA-PKOBYXMFSA-N 2 0 392.544 0.690 20 0 GCADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501642038 1194217963 /nfs/dbraw/zinc/21/79/63/1194217963.db2.gz QIUIAHAAQLTYRW-KRWDZBQOSA-N 2 0 380.533 0.282 20 0 GCADRP C[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C[C@@H](O)C[NH3+] ZINC000420348759 1194222298 /nfs/dbraw/zinc/22/22/98/1194222298.db2.gz AUJUWXASKREWLE-HNNXBMFYSA-N 2 0 384.502 0.051 20 0 GCADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000420380829 1194225080 /nfs/dbraw/zinc/22/50/80/1194225080.db2.gz OKARFPWOGFNGTQ-GXTWGEPZSA-N 2 0 380.411 0.983 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000420380832 1194225439 /nfs/dbraw/zinc/22/54/39/1194225439.db2.gz OKARFPWOGFNGTQ-TZMCWYRMSA-N 2 0 380.411 0.983 20 0 GCADRP CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc2O1 ZINC000420447896 1194229978 /nfs/dbraw/zinc/22/99/78/1194229978.db2.gz DBUAMRARIAAMFC-MRXNPFEDSA-N 2 0 385.486 0.242 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)[NH+](C)C)c1 ZINC000420849909 1194269023 /nfs/dbraw/zinc/26/90/23/1194269023.db2.gz UWJURLZLLMMMIL-FUHWJXTLSA-N 2 0 376.501 0.967 20 0 GCADRP CS(=O)(=O)N(CCN1CCC[C@H](N2CCNCC2=O)C1)Cc1ccccc1 ZINC000647909968 1194331154 /nfs/dbraw/zinc/33/11/54/1194331154.db2.gz DXCCAFNACFNKSH-SFHVURJKSA-N 2 0 394.541 0.344 20 0 GCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)C1 ZINC000652727029 1194355803 /nfs/dbraw/zinc/35/58/03/1194355803.db2.gz ZKMVDKPWQSLPMA-ZHALLVOQSA-N 2 0 392.544 0.818 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422101227 1194385103 /nfs/dbraw/zinc/38/51/03/1194385103.db2.gz FHRRPXZTXDOUKP-GOSISDBHSA-N 2 0 398.548 0.125 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CCN1C1CC[NH+](C)CC1 ZINC000422103441 1194385824 /nfs/dbraw/zinc/38/58/24/1194385824.db2.gz GSESGRVOQJQIQU-SJLPKXTDSA-N 2 0 379.549 0.166 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422136090 1194397782 /nfs/dbraw/zinc/39/77/82/1194397782.db2.gz KQHWUNXSEJYWTF-GUDVDZBRSA-N 2 0 393.576 0.556 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652728583 1194442463 /nfs/dbraw/zinc/44/24/63/1194442463.db2.gz QZXAGFAVHAEJPN-KSZLIROESA-N 2 0 380.533 0.674 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000272719224 1194490656 /nfs/dbraw/zinc/49/06/56/1194490656.db2.gz BOPJQHSJTAQYEN-OALUTQOASA-N 2 0 375.517 0.298 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422296752 1194607062 /nfs/dbraw/zinc/60/70/62/1194607062.db2.gz HTOQCPUSSRSDCC-MRXNPFEDSA-N 2 0 382.549 0.933 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000422395135 1194635382 /nfs/dbraw/zinc/63/53/82/1194635382.db2.gz IMJCEHHRFYZKGQ-OTWHNJEPSA-N 2 0 394.560 0.812 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000414679216 1194682701 /nfs/dbraw/zinc/68/27/01/1194682701.db2.gz RJLDAWAUNHJWEI-INIZCTEOSA-N 2 0 392.475 0.546 20 0 GCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714571 1194693757 /nfs/dbraw/zinc/69/37/57/1194693757.db2.gz LBWZXBACTQXVJV-SJORKVTESA-N 2 0 376.505 0.262 20 0 GCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000414695815 1194701785 /nfs/dbraw/zinc/70/17/85/1194701785.db2.gz FKKNRKQURSILSV-HXUWFJFHSA-N 2 0 396.491 0.880 20 0 GCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422908608 1194706970 /nfs/dbraw/zinc/70/69/70/1194706970.db2.gz DJBGJSRCWUMUQM-RTBURBONSA-N 2 0 388.512 0.895 20 0 GCADRP CCOc1ccnc(N2CCC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000414711334 1194717060 /nfs/dbraw/zinc/71/70/60/1194717060.db2.gz RFXHUDQNYBUOEK-INIZCTEOSA-N 2 0 376.505 0.585 20 0 GCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423014588 1194717773 /nfs/dbraw/zinc/71/77/73/1194717773.db2.gz IWAOEDQPUHIGBG-MRXNPFEDSA-N 2 0 396.557 0.995 20 0 GCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423042724 1194722012 /nfs/dbraw/zinc/72/20/12/1194722012.db2.gz ZZTKIVOQQQVJQM-HXUWFJFHSA-N 2 0 399.539 0.227 20 0 GCADRP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423042723 1194722033 /nfs/dbraw/zinc/72/20/33/1194722033.db2.gz ZZTKIVOQQQVJQM-FQEVSTJZSA-N 2 0 399.539 0.227 20 0 GCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423084934 1194726303 /nfs/dbraw/zinc/72/63/03/1194726303.db2.gz JDHJLQDNQVDDBS-GOSISDBHSA-N 2 0 379.549 0.073 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423163786 1194734575 /nfs/dbraw/zinc/73/45/75/1194734575.db2.gz NJAKHHFCKBOTBN-ZWKOTPCHSA-N 2 0 389.500 0.081 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000423173218 1194735692 /nfs/dbraw/zinc/73/56/92/1194735692.db2.gz XMDIKXBLOFDCQZ-QGZVFWFLSA-N 2 0 394.560 0.781 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423205827 1194736641 /nfs/dbraw/zinc/73/66/41/1194736641.db2.gz PRSJXMXVUHEJRD-ZBFHGGJFSA-N 2 0 394.466 0.923 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423209760 1194736912 /nfs/dbraw/zinc/73/69/12/1194736912.db2.gz VMXGCJWBOWPRQR-QGZVFWFLSA-N 2 0 380.464 0.292 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000423212095 1194737588 /nfs/dbraw/zinc/73/75/88/1194737588.db2.gz LOJYGZNKUFJHCK-BZSNNMDCSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423199492 1194738529 /nfs/dbraw/zinc/73/85/29/1194738529.db2.gz BQSKUSJOTZZGHZ-GASCZTMLSA-N 2 0 380.439 0.533 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423199490 1194738678 /nfs/dbraw/zinc/73/86/78/1194738678.db2.gz BQNPDQKVJUJDCY-HZPDHXFCSA-N 2 0 394.466 0.923 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423201533 1194738884 /nfs/dbraw/zinc/73/88/84/1194738884.db2.gz ITKMPYAWLLICJG-QGZVFWFLSA-N 2 0 396.919 0.806 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423199944 1194738991 /nfs/dbraw/zinc/73/89/91/1194738991.db2.gz CYTKSHHGEILYGS-WMZOPIPTSA-N 2 0 376.476 0.926 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423205393 1194739240 /nfs/dbraw/zinc/73/92/40/1194739240.db2.gz POPFKOGFERCUSI-CVEARBPZSA-N 2 0 394.466 0.923 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000423220449 1194741025 /nfs/dbraw/zinc/74/10/25/1194741025.db2.gz XZJSXLGEUMNVOM-CALCHBBNSA-N 2 0 387.528 0.756 20 0 GCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423241342 1194743011 /nfs/dbraw/zinc/74/30/11/1194743011.db2.gz LKRCQPPTTOZHQU-IBGZPJMESA-N 2 0 388.512 0.543 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000423255107 1194743896 /nfs/dbraw/zinc/74/38/96/1194743896.db2.gz AUEPRFKBTVOMTO-CABCVRRESA-N 2 0 375.473 0.325 20 0 GCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423280278 1194745756 /nfs/dbraw/zinc/74/57/56/1194745756.db2.gz UIJTXXKZEBKASC-ZWKOTPCHSA-N 2 0 376.476 0.879 20 0 GCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423294389 1194747519 /nfs/dbraw/zinc/74/75/19/1194747519.db2.gz UJSVSPKIQAPAIN-BHIYHBOVSA-N 2 0 388.512 0.684 20 0 GCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423371449 1194752077 /nfs/dbraw/zinc/75/20/77/1194752077.db2.gz QMPUFEMLBPQPDT-MRXNPFEDSA-N 2 0 392.500 0.384 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423388068 1194752816 /nfs/dbraw/zinc/75/28/16/1194752816.db2.gz MPAKFZXQPYFVOC-BZSNNMDCSA-N 2 0 392.544 0.546 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000423393555 1194753099 /nfs/dbraw/zinc/75/30/99/1194753099.db2.gz YTFOWEXAGMPRRI-QGZVFWFLSA-N 2 0 393.576 0.461 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000423376708 1194753632 /nfs/dbraw/zinc/75/36/32/1194753632.db2.gz BDKFDAAWFMOTRU-KBPBESRZSA-N 3 0 380.455 0.734 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000423418919 1194753984 /nfs/dbraw/zinc/75/39/84/1194753984.db2.gz VGNZOLVERYVQDQ-KRWDZBQOSA-N 2 0 393.536 0.478 20 0 GCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423423381 1194754414 /nfs/dbraw/zinc/75/44/14/1194754414.db2.gz ZKKVMEVUTWLILT-GOSISDBHSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423423382 1194754447 /nfs/dbraw/zinc/75/44/47/1194754447.db2.gz ZKKVMEVUTWLILT-SFHVURJKSA-N 2 0 379.549 0.073 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000423447906 1194755670 /nfs/dbraw/zinc/75/56/70/1194755670.db2.gz PGNXZZXXPZBWDQ-MJGOQNOKSA-N 2 0 394.560 0.781 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000423447902 1194755780 /nfs/dbraw/zinc/75/57/80/1194755780.db2.gz PGNXZZXXPZBWDQ-HKUYNNGSSA-N 2 0 394.560 0.781 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423443874 1194755803 /nfs/dbraw/zinc/75/58/03/1194755803.db2.gz KWKARJAKZALXAC-RBUKOAKNSA-N 2 0 394.560 0.651 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423446093 1194755848 /nfs/dbraw/zinc/75/58/48/1194755848.db2.gz NTEOSNYCUMKBNU-MOPGFXCFSA-N 2 0 392.544 0.405 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000423449767 1194756156 /nfs/dbraw/zinc/75/61/56/1194756156.db2.gz SBKJSEKLRIJUFB-SFHVURJKSA-N 2 0 394.560 0.938 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423447964 1194756159 /nfs/dbraw/zinc/75/61/59/1194756159.db2.gz PKHDVYWWASPPSL-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000423452016 1194756373 /nfs/dbraw/zinc/75/63/73/1194756373.db2.gz VRKZRLXCAIRJTP-IRXDYDNUSA-N 2 0 380.533 0.546 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423452402 1194756485 /nfs/dbraw/zinc/75/64/85/1194756485.db2.gz WFGUNHWHBBYOAJ-OALUTQOASA-N 2 0 394.560 0.794 20 0 GCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423431133 1194756842 /nfs/dbraw/zinc/75/68/42/1194756842.db2.gz ALUSWWWBSPASLN-FHLIZLRMSA-N 2 0 376.476 0.879 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)C[C@H]21 ZINC000423432446 1194756848 /nfs/dbraw/zinc/75/68/48/1194756848.db2.gz OKKBUKHXXLTHOR-BHIYHBOVSA-N 2 0 392.544 0.676 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000423430973 1194756910 /nfs/dbraw/zinc/75/69/10/1194756910.db2.gz ADYYFDBUNDGPNU-LJQANCHMSA-N 2 0 394.560 0.936 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000423435276 1194757260 /nfs/dbraw/zinc/75/72/60/1194757260.db2.gz DNCWKUWTQWZQTD-RTBURBONSA-N 2 0 394.560 0.936 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423441617 1194757573 /nfs/dbraw/zinc/75/75/73/1194757573.db2.gz JBRXJWLCMANVHT-IAGOWNOFSA-N 2 0 382.549 0.792 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423480314 1194759275 /nfs/dbraw/zinc/75/92/75/1194759275.db2.gz PGNTYOJYZIOMFB-ROUUACIJSA-N 2 0 388.512 0.653 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423500622 1194759549 /nfs/dbraw/zinc/75/95/49/1194759549.db2.gz KOVHABWDRFSSMG-WMZOPIPTSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423500621 1194759647 /nfs/dbraw/zinc/75/96/47/1194759647.db2.gz KOVHABWDRFSSMG-SJLPKXTDSA-N 2 0 380.533 0.676 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423497994 1194759737 /nfs/dbraw/zinc/75/97/37/1194759737.db2.gz AUWRMCGUFMPEKK-SZMVWBNQSA-N 2 0 379.549 0.342 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423505655 1194759889 /nfs/dbraw/zinc/75/98/89/1194759889.db2.gz OQMCCCMQTCLYRD-SCTDSRPQSA-N 2 0 394.560 0.792 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000423484066 1194760514 /nfs/dbraw/zinc/76/05/14/1194760514.db2.gz TTYLJYREPYIOCH-IEBWSBKVSA-N 2 0 388.512 0.796 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423531210 1194761550 /nfs/dbraw/zinc/76/15/50/1194761550.db2.gz XXEGBYZLVWUVAH-CGTJXYLNSA-N 2 0 380.533 0.532 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423589636 1194766534 /nfs/dbraw/zinc/76/65/34/1194766534.db2.gz AIIMLWBQDZIPJR-FGTMMUONSA-N 2 0 379.549 0.214 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C[C@H]21 ZINC000423590679 1194767006 /nfs/dbraw/zinc/76/70/06/1194767006.db2.gz GHFJDEFCIHRCEI-BSDSXHPESA-N 2 0 378.517 0.143 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423572965 1194768578 /nfs/dbraw/zinc/76/85/78/1194768578.db2.gz QLCDAKLQSWEHSX-NQIIRXRSSA-N 2 0 388.512 0.292 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423576256 1194769416 /nfs/dbraw/zinc/76/94/16/1194769416.db2.gz XUIBFMOSFYOVFK-NRFANRHFSA-N 2 0 388.512 0.279 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423605359 1194772492 /nfs/dbraw/zinc/77/24/92/1194772492.db2.gz HCNXXDNHANULQJ-LJQANCHMSA-N 2 0 387.528 0.083 20 0 GCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423610605 1194773063 /nfs/dbraw/zinc/77/30/63/1194773063.db2.gz REBMGMYUNGONOP-UYAOXDASSA-N 2 0 399.539 0.225 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423593509 1194774463 /nfs/dbraw/zinc/77/44/63/1194774463.db2.gz MHYYIXAXMGYIDS-GHTZIAJQSA-N 2 0 388.512 0.292 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423593510 1194774479 /nfs/dbraw/zinc/77/44/79/1194774479.db2.gz MHYYIXAXMGYIDS-NQIIRXRSSA-N 2 0 388.512 0.292 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423595485 1194774768 /nfs/dbraw/zinc/77/47/68/1194774768.db2.gz PXBCCYUVFPUSJS-ZIFCJYIRSA-N 2 0 394.560 0.935 20 0 GCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423643908 1194777156 /nfs/dbraw/zinc/77/71/56/1194777156.db2.gz XSNYFEGUSQEIHU-VQTJNVASSA-N 2 0 399.539 0.212 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423646978 1194777490 /nfs/dbraw/zinc/77/74/90/1194777490.db2.gz MNJMKFBVNLUTNG-SOLBZPMBSA-N 2 0 380.533 0.674 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423622296 1194777883 /nfs/dbraw/zinc/77/78/83/1194777883.db2.gz YUEXKHCNVURXBP-SOLBZPMBSA-N 2 0 380.533 0.545 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)CC1 ZINC000423651232 1194779312 /nfs/dbraw/zinc/77/93/12/1194779312.db2.gz LLEAQEOKGZIURQ-IRXDYDNUSA-N 2 0 379.549 0.199 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423657999 1194780304 /nfs/dbraw/zinc/78/03/04/1194780304.db2.gz DYTJWOPTYWSJOH-AEFFLSMTSA-N 2 0 379.549 0.214 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660702 1194781011 /nfs/dbraw/zinc/78/10/11/1194781011.db2.gz KSHHCWACXZDUMA-SCTDSRPQSA-N 2 0 394.560 0.935 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[C@@H](C[NH3+])C1 ZINC000423671292 1194782927 /nfs/dbraw/zinc/78/29/27/1194782927.db2.gz NGDMYDFXIKQVAS-GUDVDZBRSA-N 2 0 394.560 0.922 20 0 GCADRP O=C(C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423693286 1194783058 /nfs/dbraw/zinc/78/30/58/1194783058.db2.gz RVAVUAXKDSDFCM-YSTOQKLRSA-N 2 0 382.508 0.645 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000423701205 1194783755 /nfs/dbraw/zinc/78/37/55/1194783755.db2.gz VEAWXVJAMPZWSI-GUDVDZBRSA-N 2 0 386.496 0.153 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000423701206 1194783820 /nfs/dbraw/zinc/78/38/20/1194783820.db2.gz VEAWXVJAMPZWSI-IPMKNSEASA-N 2 0 386.496 0.153 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000423688794 1194786376 /nfs/dbraw/zinc/78/63/76/1194786376.db2.gz XRNMZZUCEMJPLT-AZUAARDMSA-N 2 0 399.539 0.225 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000423717796 1194788186 /nfs/dbraw/zinc/78/81/86/1194788186.db2.gz KFUGCJPQYKJPCX-LJQANCHMSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727808 1194790006 /nfs/dbraw/zinc/79/00/06/1194790006.db2.gz KXYULZVLZCNIIB-RDGPPVDQSA-N 2 0 394.560 0.935 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423743284 1194791212 /nfs/dbraw/zinc/79/12/12/1194791212.db2.gz ZZSOQMKRJKQYCO-MSOLQXFVSA-N 2 0 380.533 0.404 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)CC1 ZINC000423748812 1194791505 /nfs/dbraw/zinc/79/15/05/1194791505.db2.gz ZUKCVGISGHLLRG-MJGOQNOKSA-N 2 0 393.576 0.589 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423748544 1194791770 /nfs/dbraw/zinc/79/17/70/1194791770.db2.gz ZMUNEPBSKYPEFJ-MJGOQNOKSA-N 2 0 394.560 0.923 20 0 GCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424332527 1194808569 /nfs/dbraw/zinc/80/85/69/1194808569.db2.gz KVEUKQOJOJRUEA-QZTJIDSGSA-N 2 0 383.514 0.946 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3CC[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424450604 1194812669 /nfs/dbraw/zinc/81/26/69/1194812669.db2.gz YCVBZRHUNWGXJT-DLBZAZTESA-N 2 0 384.484 0.416 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000424460402 1194813432 /nfs/dbraw/zinc/81/34/32/1194813432.db2.gz YHHRFUQQQWDZHU-UHFFFAOYSA-N 2 0 396.495 0.855 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424497508 1194818162 /nfs/dbraw/zinc/81/81/62/1194818162.db2.gz XMNDZDODEVEKQJ-QZTJIDSGSA-N 2 0 394.560 0.936 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424504651 1194818943 /nfs/dbraw/zinc/81/89/43/1194818943.db2.gz JWJSEUMTOKIOLK-IAGOWNOFSA-N 2 0 380.533 0.450 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424530966 1194819465 /nfs/dbraw/zinc/81/94/65/1194819465.db2.gz WFNOIYKSIHDZAG-INIZCTEOSA-N 2 0 394.560 0.983 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534200 1194819771 /nfs/dbraw/zinc/81/97/71/1194819771.db2.gz ZDNDTVFYGCAHEW-UOVPBQLFSA-N 2 0 390.532 0.157 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424518238 1194821210 /nfs/dbraw/zinc/82/12/10/1194821210.db2.gz HOKWXSWDBYTMJA-QZTJIDSGSA-N 2 0 393.576 0.367 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC[N@H+](C)C3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424522660 1194821597 /nfs/dbraw/zinc/82/15/97/1194821597.db2.gz NEYXCKVILWSMQV-ZWKOTPCHSA-N 2 0 390.532 0.444 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000424521501 1194821674 /nfs/dbraw/zinc/82/16/74/1194821674.db2.gz LUMUWEKPXXKGDF-BHYGNILZSA-N 2 0 376.505 0.054 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424544389 1194822951 /nfs/dbraw/zinc/82/29/51/1194822951.db2.gz KODBWGSFLJZLPA-DLBZAZTESA-N 2 0 378.521 0.254 20 0 GCADRP CC(C)C[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N1CCOCC1 ZINC000424549413 1194823778 /nfs/dbraw/zinc/82/37/78/1194823778.db2.gz MHJBQMGKZJZCNZ-ZWKOTPCHSA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)C[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N1CCOCC1 ZINC000424549410 1194823850 /nfs/dbraw/zinc/82/38/50/1194823850.db2.gz MHJBQMGKZJZCNZ-MSOLQXFVSA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(C)C ZINC000424551361 1194824310 /nfs/dbraw/zinc/82/43/10/1194824310.db2.gz VKQTUCPFDMHWHQ-DLBZAZTESA-N 2 0 378.521 0.250 20 0 GCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424554122 1194824608 /nfs/dbraw/zinc/82/46/08/1194824608.db2.gz RUCABFJWLFKEBK-BHYGNILZSA-N 2 0 390.532 0.300 20 0 GCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424561376 1194824802 /nfs/dbraw/zinc/82/48/02/1194824802.db2.gz YTDLIVZRPJKIQW-FGTMMUONSA-N 2 0 390.532 0.444 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414807187 1194828218 /nfs/dbraw/zinc/82/82/18/1194828218.db2.gz IPXYEVPIKKVFJF-OAHLLOKOSA-N 2 0 389.500 0.657 20 0 GCADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000414838020 1194837659 /nfs/dbraw/zinc/83/76/59/1194837659.db2.gz YAMFUVQPRHRTNE-INIZCTEOSA-N 2 0 386.496 0.842 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000514586956 1194885796 /nfs/dbraw/zinc/88/57/96/1194885796.db2.gz GIWMHNVIASDFPX-SFHVURJKSA-N 2 0 381.565 0.957 20 0 GCADRP Cc1cccc(CN2CCN(C(=O)CN3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)CC2)c1 ZINC000514606365 1194887268 /nfs/dbraw/zinc/88/72/68/1194887268.db2.gz TTXIJGCRGXMEDB-LEWJYISDSA-N 2 0 396.539 0.799 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514667622 1194893045 /nfs/dbraw/zinc/89/30/45/1194893045.db2.gz CGFLZPYHTYLASV-WTGUMLROSA-N 2 0 382.508 0.645 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664475068 1194897917 /nfs/dbraw/zinc/89/79/17/1194897917.db2.gz LTCPDNXHFQRXAE-XUVXKRRUSA-N 2 0 394.560 0.995 20 0 GCADRP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)C2CC2)O1)C1CC1 ZINC000505632473 1194899393 /nfs/dbraw/zinc/89/93/93/1194899393.db2.gz OBWQAHNUTQEYBX-ROUUACIJSA-N 2 0 380.533 0.639 20 0 GCADRP C[NH+](C)CCN(C(=O)[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)C2CC2)O1)C1CC1 ZINC000505632469 1194899551 /nfs/dbraw/zinc/89/95/51/1194899551.db2.gz OBWQAHNUTQEYBX-HDICACEKSA-N 2 0 380.533 0.639 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000514886527 1194925256 /nfs/dbraw/zinc/92/52/56/1194925256.db2.gz DRNJGTDGXNMSLG-NEPXVJNWSA-N 2 0 391.560 0.070 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000514886526 1194925490 /nfs/dbraw/zinc/92/54/90/1194925490.db2.gz DRNJGTDGXNMSLG-KCITZHQASA-N 2 0 391.560 0.070 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCN1C1CC[NH+](C)CC1 ZINC000425378298 1194931055 /nfs/dbraw/zinc/93/10/55/1194931055.db2.gz BXGVKCZJJYWTLV-JENIJYKNSA-N 2 0 391.560 0.166 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C[C@@H]21 ZINC000515053395 1194942197 /nfs/dbraw/zinc/94/21/97/1194942197.db2.gz XKLBJASCJRCFMD-OKZBNKHCSA-N 2 0 378.517 0.143 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000515140879 1194948558 /nfs/dbraw/zinc/94/85/58/1194948558.db2.gz ARUMAXSICHYVKA-UHFFFAOYSA-N 2 0 391.516 0.449 20 0 GCADRP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000515166548 1194951501 /nfs/dbraw/zinc/95/15/01/1194951501.db2.gz UORBQYJJLICSII-DOTOQJQBSA-N 2 0 387.480 0.734 20 0 GCADRP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000515166549 1194951557 /nfs/dbraw/zinc/95/15/57/1194951557.db2.gz UORBQYJJLICSII-NVXWUHKLSA-N 2 0 387.480 0.734 20 0 GCADRP CCN1CCC([NH+]2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000515310909 1194967809 /nfs/dbraw/zinc/96/78/09/1194967809.db2.gz ZHBLEQYDNPGPLD-LJQANCHMSA-N 2 0 393.576 0.639 20 0 GCADRP CN1CCN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000515405845 1194972871 /nfs/dbraw/zinc/97/28/71/1194972871.db2.gz JXALMEJLJVPTCZ-FQEVSTJZSA-N 2 0 388.560 0.873 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000505731780 1194977097 /nfs/dbraw/zinc/97/70/97/1194977097.db2.gz QMIAUZVLXLVKAF-INIZCTEOSA-N 2 0 381.521 0.535 20 0 GCADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436052217 1194982075 /nfs/dbraw/zinc/98/20/75/1194982075.db2.gz CHCKTTLWNXPTOT-MRXNPFEDSA-N 2 0 375.473 0.434 20 0 GCADRP C[NH+](C)CCC(=O)N1CC2(C1)SCC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001270061419 1194989514 /nfs/dbraw/zinc/98/95/14/1194989514.db2.gz NKEJYCFIJXUUEK-MRXNPFEDSA-N 2 0 382.574 0.825 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000515701355 1194991893 /nfs/dbraw/zinc/99/18/93/1194991893.db2.gz NOZJONHNSMPGQJ-FHWLQOOXSA-N 2 0 394.560 0.813 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000515701360 1194991914 /nfs/dbraw/zinc/99/19/14/1194991914.db2.gz NOZJONHNSMPGQJ-OTWHNJEPSA-N 2 0 394.560 0.813 20 0 GCADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000414880557 1194992059 /nfs/dbraw/zinc/99/20/59/1194992059.db2.gz QFHDKTPPIDEFIW-UHFFFAOYSA-N 2 0 386.496 0.842 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000515701359 1194992089 /nfs/dbraw/zinc/99/20/89/1194992089.db2.gz NOZJONHNSMPGQJ-IPMKNSEASA-N 2 0 394.560 0.813 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000436256428 1194993445 /nfs/dbraw/zinc/99/34/45/1194993445.db2.gz BNDTWGFGRWORGH-JKSUJKDBSA-N 2 0 383.537 0.060 20 0 GCADRP CO[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000286227400 1194998336 /nfs/dbraw/zinc/99/83/36/1194998336.db2.gz ZDTTXQJWSMKPPW-GOSISDBHSA-N 2 0 391.516 0.497 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000414888802 1195023342 /nfs/dbraw/zinc/02/33/42/1195023342.db2.gz RUGXPWQTJYYVIK-OAHLLOKOSA-N 2 0 377.489 0.946 20 0 GCADRP [NH3+]CCOCCN1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000516292914 1195039441 /nfs/dbraw/zinc/03/94/41/1195039441.db2.gz KXWVACKQEPGOEY-UHFFFAOYSA-N 2 0 378.498 0.907 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000287927412 1195044692 /nfs/dbraw/zinc/04/46/92/1195044692.db2.gz WKKJVTULEAQLEE-UHFFFAOYSA-N 2 0 376.501 0.844 20 0 GCADRP C[NH+](C)CCn1ncc(C(=O)NC[C@H]2CN3CCN2CC3)c1-c1ccccc1 ZINC000288207668 1195052714 /nfs/dbraw/zinc/05/27/14/1195052714.db2.gz ONZIFBRBEIBDAL-SFHVURJKSA-N 2 0 382.512 0.841 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c2ccccc2)CC1 ZINC000516460178 1195054432 /nfs/dbraw/zinc/05/44/32/1195054432.db2.gz FTIJUPUXLBVRNQ-RBUKOAKNSA-N 2 0 397.527 0.749 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c2ccccc2)CC1 ZINC000516460177 1195054510 /nfs/dbraw/zinc/05/45/10/1195054510.db2.gz FTIJUPUXLBVRNQ-OALUTQOASA-N 2 0 397.527 0.749 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000516717640 1195088231 /nfs/dbraw/zinc/08/82/31/1195088231.db2.gz DWKXGIGAMIDSFA-INIZCTEOSA-N 2 0 391.582 0.325 20 0 GCADRP O=C(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000517229891 1195159343 /nfs/dbraw/zinc/15/93/43/1195159343.db2.gz FYCLQXHLGRZDDM-XQBPLPMBSA-N 2 0 382.508 0.789 20 0 GCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000517395883 1195178473 /nfs/dbraw/zinc/17/84/73/1195178473.db2.gz UCMNRMUIXFLEOX-PMACEKPBSA-N 2 0 399.539 0.273 20 0 GCADRP CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000517585481 1195195456 /nfs/dbraw/zinc/19/54/56/1195195456.db2.gz DBLWKSFHNXZPCV-MRXNPFEDSA-N 2 0 381.565 0.365 20 0 GCADRP CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000517585480 1195195563 /nfs/dbraw/zinc/19/55/63/1195195563.db2.gz DBLWKSFHNXZPCV-INIZCTEOSA-N 2 0 381.565 0.365 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000517610583 1195197471 /nfs/dbraw/zinc/19/74/71/1195197471.db2.gz NISOLFANQSOXOW-UHFFFAOYSA-N 2 0 389.500 0.808 20 0 GCADRP CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)N1CCOCC1 ZINC000518081826 1195246484 /nfs/dbraw/zinc/24/64/84/1195246484.db2.gz YRVRULBXUIOYJN-SJORKVTESA-N 2 0 383.537 0.372 20 0 GCADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000426162971 1195252955 /nfs/dbraw/zinc/25/29/55/1195252955.db2.gz UMFKWWWIUMXEJV-SFHVURJKSA-N 2 0 381.565 0.273 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000518140589 1195254278 /nfs/dbraw/zinc/25/42/78/1195254278.db2.gz CRDVOXFJTZKLPE-CABCVRRESA-N 2 0 393.454 0.186 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000518176461 1195261135 /nfs/dbraw/zinc/26/11/35/1195261135.db2.gz UTCRSVRHOIVPMP-LJQANCHMSA-N 2 0 388.512 0.892 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cnns1 ZINC000429645894 1195262268 /nfs/dbraw/zinc/26/22/68/1195262268.db2.gz AUMOMBVKPKOKAC-UHFFFAOYSA-N 2 0 375.458 0.200 20 0 GCADRP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000518212070 1195267895 /nfs/dbraw/zinc/26/78/95/1195267895.db2.gz LUNXGULAHSYREV-FXELSEDVSA-N 2 0 384.609 0.931 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000439209399 1195294876 /nfs/dbraw/zinc/29/48/76/1195294876.db2.gz JTIOOFFSNAKQKE-KRWDZBQOSA-N 2 0 391.516 0.507 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000518484545 1195295919 /nfs/dbraw/zinc/29/59/19/1195295919.db2.gz UOSGLGKDANJFQP-QZTJIDSGSA-N 2 0 392.544 0.642 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000518496483 1195297169 /nfs/dbraw/zinc/29/71/69/1195297169.db2.gz IRRJZXNEVTXVAM-QGZVFWFLSA-N 2 0 379.549 0.960 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000518540240 1195301105 /nfs/dbraw/zinc/30/11/05/1195301105.db2.gz CVDKTBRQLXLPBL-IBGZPJMESA-N 2 0 391.516 0.875 20 0 GCADRP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385643 1195320309 /nfs/dbraw/zinc/32/03/09/1195320309.db2.gz PRKCHYDIJAVQPF-MISYRCLQSA-N 2 0 390.528 0.889 20 0 GCADRP C[NH+]1CCC[C@H]1CNC(=O)C1(CC(=O)NC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434372 1195335285 /nfs/dbraw/zinc/33/52/85/1195335285.db2.gz YEYOOPHIGMTGQN-IRXDYDNUSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000518832850 1195338098 /nfs/dbraw/zinc/33/80/98/1195338098.db2.gz WYAKOSHTSBBYJR-ULQDDVLXSA-N 2 0 378.517 0.299 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426564792 1195380668 /nfs/dbraw/zinc/38/06/68/1195380668.db2.gz INSQZQDXIDACKH-RBUKOAKNSA-N 2 0 382.549 0.852 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550092953 1195434217 /nfs/dbraw/zinc/43/42/17/1195434217.db2.gz AVHIJGXILZQGPO-GOSISDBHSA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000550096656 1195434250 /nfs/dbraw/zinc/43/42/50/1195434250.db2.gz KWYOCXNHSOYVLL-RTBURBONSA-N 2 0 394.560 0.936 20 0 GCADRP CC[NH+]1CCCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000110997911 1195434276 /nfs/dbraw/zinc/43/42/76/1195434276.db2.gz FFVBEBCKTHNQFN-ROUUACIJSA-N 2 0 382.549 0.984 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000550095952 1195435000 /nfs/dbraw/zinc/43/50/00/1195435000.db2.gz JGWGFRAAQAAWOQ-ROUUACIJSA-N 2 0 382.549 0.840 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000550129077 1195444334 /nfs/dbraw/zinc/44/43/34/1195444334.db2.gz DAYULRJARBRLQV-QGZVFWFLSA-N 2 0 381.565 0.367 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000550133447 1195445644 /nfs/dbraw/zinc/44/56/44/1195445644.db2.gz OVONSNWLEIVIHT-UHFFFAOYSA-N 2 0 381.565 0.461 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000121415017 1195459276 /nfs/dbraw/zinc/45/92/76/1195459276.db2.gz QQVWILKRMYZLNO-RLLQIKCJSA-N 2 0 395.592 0.937 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)CC1=O ZINC000426885959 1195489288 /nfs/dbraw/zinc/48/92/88/1195489288.db2.gz HHSZGPAVBHDVEP-DOTOQJQBSA-N 2 0 392.500 0.337 20 0 GCADRP CC[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000519593203 1195500565 /nfs/dbraw/zinc/50/05/65/1195500565.db2.gz XRUIPLZUEVNIQE-RBUKOAKNSA-N 2 0 387.528 0.041 20 0 GCADRP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507408108 1195517764 /nfs/dbraw/zinc/51/77/64/1195517764.db2.gz YFLQNLBWQCBFDU-NSHDSACASA-N 2 0 395.426 0.153 20 0 GCADRP COC(CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427467850 1195543194 /nfs/dbraw/zinc/54/31/94/1195543194.db2.gz XAZIKTWYMNDFBS-QZTJIDSGSA-N 2 0 378.517 0.487 20 0 GCADRP C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@H](C)CO1 ZINC000664883777 1195551362 /nfs/dbraw/zinc/55/13/62/1195551362.db2.gz MUPDWNFYGLLBMW-VUCRHFMTSA-N 2 0 395.548 0.478 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000550310122 1195557916 /nfs/dbraw/zinc/55/79/16/1195557916.db2.gz NAYLYLVHNWLVNZ-UHFFFAOYSA-N 2 0 380.533 0.735 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415347084 1195562661 /nfs/dbraw/zinc/56/26/61/1195562661.db2.gz BAOROVNMANTZAK-INIZCTEOSA-N 2 0 389.500 0.043 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1)CC1CC1 ZINC000519698168 1195563582 /nfs/dbraw/zinc/56/35/82/1195563582.db2.gz LPGNAFRWNGCOAH-IBGZPJMESA-N 2 0 393.576 0.448 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000550321025 1195604505 /nfs/dbraw/zinc/60/45/05/1195604505.db2.gz GYRYPEHNJQIKIZ-KRWDZBQOSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647971288 1195634395 /nfs/dbraw/zinc/63/43/95/1195634395.db2.gz OMGAICMORSWZFQ-UKRRQHHQSA-N 2 0 380.514 0.983 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000550364580 1195645074 /nfs/dbraw/zinc/64/50/74/1195645074.db2.gz GLZUYKFBRMTWDQ-UHFFFAOYSA-N 2 0 382.549 0.984 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1)N1CC[NH+](C)CC1 ZINC000550380893 1195648712 /nfs/dbraw/zinc/64/87/12/1195648712.db2.gz CEWVOGDGTTWDOW-MOPGFXCFSA-N 2 0 395.592 0.613 20 0 GCADRP C[NH+]1CC[C@H]2CN(c3nc(C(N)=O)cc(N4CC[C@@H]5[C@H](CC[N@H+]5C)C4)n3)CC[C@H]21 ZINC000895020886 1195650752 /nfs/dbraw/zinc/65/07/52/1195650752.db2.gz CZLCGHPZDCSURS-CYGHRXIMSA-N 2 0 399.543 0.636 20 0 GCADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000441433831 1195685833 /nfs/dbraw/zinc/68/58/33/1195685833.db2.gz JEWDKKYPGJVAKF-IAGOWNOFSA-N 2 0 392.548 1.400 20 0 GCADRP C[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)(N2CCOCC2)CC1 ZINC000334117268 1195693544 /nfs/dbraw/zinc/69/35/44/1195693544.db2.gz IDTKTTMRBNXSGR-SFHVURJKSA-N 2 0 379.549 0.663 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000248370802 1195702704 /nfs/dbraw/zinc/70/27/04/1195702704.db2.gz XYWKTDLBXASQRC-HOTGVXAUSA-N 2 0 376.505 0.637 20 0 GCADRP CC[C@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000458982097 1195743672 /nfs/dbraw/zinc/74/36/72/1195743672.db2.gz PQCPEUNWBGKVGZ-HZPDHXFCSA-N 2 0 391.582 0.372 20 0 GCADRP Cn1c2ncn(CC[NH+]3CCC(Nc4ccccn4)CC3)c2c(=O)n(C)c1=O ZINC000536367621 1195750312 /nfs/dbraw/zinc/75/03/12/1195750312.db2.gz BWVFCODYNJOGSW-UHFFFAOYSA-N 2 0 383.456 0.405 20 0 GCADRP C[C@@H]1CN(CCCN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000189930109 1195754730 /nfs/dbraw/zinc/75/47/30/1195754730.db2.gz PHNPAKQTXTZOFP-RTBURBONSA-N 2 0 384.609 0.931 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000182985274 1195792172 /nfs/dbraw/zinc/79/21/72/1195792172.db2.gz FTWNUZCIXHEDJX-GOSISDBHSA-N 2 0 394.560 0.890 20 0 GCADRP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1nc(C(N)=O)cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000895091910 1195803833 /nfs/dbraw/zinc/80/38/33/1195803833.db2.gz JYTZQSLJLINRFA-WNRNVDISSA-N 2 0 399.543 0.921 20 0 GCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)([NH+](C)C)C1 ZINC000520620630 1195804133 /nfs/dbraw/zinc/80/41/33/1195804133.db2.gz IIGBTZZDFJONRZ-WIYYLYMNSA-N 2 0 395.592 0.757 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000441779357 1195845687 /nfs/dbraw/zinc/84/56/87/1195845687.db2.gz UHMGJHBGLYNLPU-HNNXBMFYSA-N 2 0 391.516 0.842 20 0 GCADRP C[C@H](CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000474018148 1195857574 /nfs/dbraw/zinc/85/75/74/1195857574.db2.gz FGPYNUIDALPFHU-OAHLLOKOSA-N 2 0 390.532 0.852 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000427702499 1195868068 /nfs/dbraw/zinc/86/80/68/1195868068.db2.gz UAEOBRPJMIMPSA-OAHLLOKOSA-N 2 0 398.467 0.918 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCn1ccnc1)[NH+]1CCCC1 ZINC000550447039 1195881373 /nfs/dbraw/zinc/88/13/73/1195881373.db2.gz RCNGESVTJHOTJJ-QGZVFWFLSA-N 2 0 385.468 0.961 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000441983621 1195938681 /nfs/dbraw/zinc/93/86/81/1195938681.db2.gz ZJGSOVASYRAUDX-MRXNPFEDSA-N 2 0 387.484 0.868 20 0 GCADRP CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000520989981 1195947633 /nfs/dbraw/zinc/94/76/33/1195947633.db2.gz LQMHDJGEBCDRKQ-SJLPKXTDSA-N 2 0 392.544 0.377 20 0 GCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000520979683 1195948777 /nfs/dbraw/zinc/94/87/77/1195948777.db2.gz IDFPJFXSFWWTSR-UHFFFAOYSA-N 2 0 383.537 0.339 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000550457966 1195980710 /nfs/dbraw/zinc/98/07/10/1195980710.db2.gz JOMYTNANFOTWCX-SJORKVTESA-N 2 0 382.549 0.696 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000550457779 1195984430 /nfs/dbraw/zinc/98/44/30/1195984430.db2.gz NWQDBEJOCQFMKQ-BZSNNMDCSA-N 2 0 382.549 0.791 20 0 GCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000522014945 1196034307 /nfs/dbraw/zinc/03/43/07/1196034307.db2.gz RTIORQQKDLOORW-DLBZAZTESA-N 2 0 387.484 0.237 20 0 GCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CC(=O)NC1CCOCC1 ZINC001087577862 1196049224 /nfs/dbraw/zinc/04/92/24/1196049224.db2.gz NJYAJHSTUJSXLD-NRSFXHEJSA-N 2 0 380.533 0.591 20 0 GCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550479371 1196051503 /nfs/dbraw/zinc/05/15/03/1196051503.db2.gz IGKWEQGBDCBUON-KRWDZBQOSA-N 2 0 395.592 0.755 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550481630 1196053811 /nfs/dbraw/zinc/05/38/11/1196053811.db2.gz UKHZNMLSXUHHMR-IBGZPJMESA-N 2 0 395.592 0.755 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000550495710 1196056844 /nfs/dbraw/zinc/05/68/44/1196056844.db2.gz YXZCWKZLHOEGEH-QGZVFWFLSA-N 2 0 380.533 0.596 20 0 GCADRP CCOCCCNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000051737977 1196089379 /nfs/dbraw/zinc/08/93/79/1196089379.db2.gz HEEXZYQNROSDFD-UHFFFAOYSA-N 2 0 382.549 0.842 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000550581446 1196092917 /nfs/dbraw/zinc/09/29/17/1196092917.db2.gz IIMKDBQSUAFRIQ-HZPDHXFCSA-N 2 0 386.537 0.027 20 0 GCADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000895629291 1196105306 /nfs/dbraw/zinc/10/53/06/1196105306.db2.gz PRGQKESXLAQSTD-IBGZPJMESA-N 2 0 376.501 0.967 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000114585512 1196106404 /nfs/dbraw/zinc/10/64/04/1196106404.db2.gz KRXNBXHUXBEHEY-UHFFFAOYSA-N 2 0 383.581 0.796 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000114602998 1196106451 /nfs/dbraw/zinc/10/64/51/1196106451.db2.gz DUKCZBJJTXIUNT-SFHVURJKSA-N 2 0 381.565 0.693 20 0 GCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474314375 1196108820 /nfs/dbraw/zinc/10/88/20/1196108820.db2.gz SRBDUZOSHNLIOC-RRQGHBQHSA-N 2 0 380.439 0.785 20 0 GCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474314374 1196109059 /nfs/dbraw/zinc/10/90/59/1196109059.db2.gz SRBDUZOSHNLIOC-JQFCIGGWSA-N 2 0 380.439 0.785 20 0 GCADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000895890051 1196116555 /nfs/dbraw/zinc/11/65/55/1196116555.db2.gz BUQZBMFEDHCNKZ-IBGZPJMESA-N 2 0 389.544 0.559 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896174300 1196130983 /nfs/dbraw/zinc/13/09/83/1196130983.db2.gz OFLUZANCUBEVGZ-SFHVURJKSA-N 2 0 388.516 0.216 20 0 GCADRP COCc1noc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971877 1196142500 /nfs/dbraw/zinc/14/25/00/1196142500.db2.gz XXCNUPVPFODXPZ-LVQVYYBASA-N 2 0 377.489 0.837 20 0 GCADRP COCCc1noc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971830 1196142809 /nfs/dbraw/zinc/14/28/09/1196142809.db2.gz VXMKHLHIQRJHLW-WCXIOVBPSA-N 2 0 391.516 0.879 20 0 GCADRP C[NH+]1CC[C@H]2CCN(C(=O)C[C@H](O)CC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000329052753 1196160033 /nfs/dbraw/zinc/16/00/33/1196160033.db2.gz LIEBPFZWPUZDIP-DQCOHUIHSA-N 2 0 392.544 0.233 20 0 GCADRP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000329187393 1196173742 /nfs/dbraw/zinc/17/37/42/1196173742.db2.gz GUKAHCHOYJMMFR-RHQZKXFESA-N 2 0 392.544 0.518 20 0 GCADRP C[NH+]1CC[C@]2(CCN(C(=O)COCC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000329234800 1196178787 /nfs/dbraw/zinc/17/87/87/1196178787.db2.gz MYNWQLVSRHZWFH-BGYRXZFFSA-N 2 0 378.517 0.111 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896625585 1196183843 /nfs/dbraw/zinc/18/38/43/1196183843.db2.gz ABNXVIGZBZJDJA-IBGZPJMESA-N 2 0 394.560 0.794 20 0 GCADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000281296476 1196288270 /nfs/dbraw/zinc/28/82/70/1196288270.db2.gz JPJDNOQXMXTZNS-UHFFFAOYSA-N 2 0 396.557 0.801 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCNc1cnccn1 ZINC000522727168 1196304743 /nfs/dbraw/zinc/30/47/43/1196304743.db2.gz OQROLMPYIOULKM-UHFFFAOYSA-N 2 0 384.488 0.795 20 0 GCADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)Cn1ccnc1C ZINC000985057376 1196335144 /nfs/dbraw/zinc/33/51/44/1196335144.db2.gz XVRAQOWPKQVYSJ-XLNGHYISSA-N 2 0 377.489 0.406 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000522974439 1196372413 /nfs/dbraw/zinc/37/24/13/1196372413.db2.gz NBBOGVWPKGYSKY-QGZVFWFLSA-N 2 0 395.548 0.518 20 0 GCADRP CO[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1OC ZINC000487466169 1196391435 /nfs/dbraw/zinc/39/14/35/1196391435.db2.gz CWJGWAVLMVLBNQ-ROUUACIJSA-N 2 0 377.489 0.649 20 0 GCADRP O=C(C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1)NC1CC[NH+](C2CC2)CC1 ZINC000475317914 1196402605 /nfs/dbraw/zinc/40/26/05/1196402605.db2.gz MIYVUBTXKROFDT-ZWKOTPCHSA-N 2 0 376.505 0.587 20 0 GCADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000301983344 1196437460 /nfs/dbraw/zinc/43/74/60/1196437460.db2.gz YKEIJYQABIDTKY-WBVHZDCISA-N 2 0 388.516 0.604 20 0 GCADRP Nc1nc(-n2cccn2)cc(NCCC(=O)N2CCN(c3ccccn3)CC2)[nH+]1 ZINC000301974866 1196437554 /nfs/dbraw/zinc/43/75/54/1196437554.db2.gz KXRHTWVOMBCSSJ-UHFFFAOYSA-N 2 0 393.455 0.790 20 0 GCADRP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152456742 1196466169 /nfs/dbraw/zinc/46/61/69/1196466169.db2.gz HYZDACNQSMANFG-KRWDZBQOSA-N 2 0 396.557 0.656 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000102050893 1196491090 /nfs/dbraw/zinc/49/10/90/1196491090.db2.gz XOBYARYQPKZCNP-GOSISDBHSA-N 2 0 388.516 0.856 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)NCC3([NH+](C)C)CCOCC3)CC2)CC1 ZINC000114024522 1196551993 /nfs/dbraw/zinc/55/19/93/1196551993.db2.gz NNQKQEDUXILLEE-UHFFFAOYSA-N 2 0 381.565 0.955 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524032115 1196573002 /nfs/dbraw/zinc/57/30/02/1196573002.db2.gz YIQZYURGEXJIDF-GOSISDBHSA-N 2 0 397.564 0.729 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000524290198 1196585506 /nfs/dbraw/zinc/58/55/06/1196585506.db2.gz RVRMCUGAUISLET-UHFFFAOYSA-N 2 0 382.530 0.693 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000524419720 1196594319 /nfs/dbraw/zinc/59/43/19/1196594319.db2.gz YSFHNYOBZDMLGH-RTBURBONSA-N 2 0 387.528 0.997 20 0 GCADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000445923441 1196599748 /nfs/dbraw/zinc/59/97/48/1196599748.db2.gz BXWTVSHLWWXFAH-UHFFFAOYSA-N 2 0 389.500 0.342 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000446048657 1196609559 /nfs/dbraw/zinc/60/95/59/1196609559.db2.gz VSOBBUWXKDBZHJ-UHFFFAOYSA-N 2 0 376.501 0.550 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000524627312 1196609993 /nfs/dbraw/zinc/60/99/93/1196609993.db2.gz VNKQARYOIOGDDC-GOSISDBHSA-N 2 0 375.517 0.922 20 0 GCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000446363584 1196637902 /nfs/dbraw/zinc/63/79/02/1196637902.db2.gz NIAQBLCNOLHJKR-XAUMDUMWSA-N 2 0 378.517 0.286 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446363534 1196637939 /nfs/dbraw/zinc/63/79/39/1196637939.db2.gz MXQFHPODONYAKQ-RIFZZMRRSA-N 2 0 380.533 0.532 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000525319500 1196672269 /nfs/dbraw/zinc/67/22/69/1196672269.db2.gz BMFXEGCYSIPTEI-UHFFFAOYSA-N 2 0 392.500 0.658 20 0 GCADRP COCCO[C@H]1C[C@@H](CO)CN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000447065473 1196690792 /nfs/dbraw/zinc/69/07/92/1196690792.db2.gz ANZWWYJMHUZXRM-AEFFLSMTSA-N 2 0 379.505 0.074 20 0 GCADRP CC(=O)N[C@H](C)C1CCN(C[C@@H](O)C[NH+]2CCC([C@H](C)NC(C)=O)CC2)CC1 ZINC000447316510 1196707147 /nfs/dbraw/zinc/70/71/47/1196707147.db2.gz YXHYWYTXKXXOSL-VPTLXERWSA-N 2 0 396.576 0.821 20 0 GCADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000525802670 1196710846 /nfs/dbraw/zinc/71/08/46/1196710846.db2.gz IJCKDHORHDFNEL-GOSISDBHSA-N 3 0 380.533 0.642 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000525882469 1196720551 /nfs/dbraw/zinc/72/05/51/1196720551.db2.gz JWWAMDMIAAYJII-UHFFFAOYSA-N 2 0 393.513 0.621 20 0 GCADRP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000447436101 1196722568 /nfs/dbraw/zinc/72/25/68/1196722568.db2.gz UDNNFAJKDGQXSK-HOTGVXAUSA-N 2 0 393.557 0.800 20 0 GCADRP Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526132182 1196744052 /nfs/dbraw/zinc/74/40/52/1196744052.db2.gz WIDZMUWXKYMYOL-UHFFFAOYSA-N 2 0 391.516 0.587 20 0 GCADRP CN(C)C(=O)c1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000526132017 1196744219 /nfs/dbraw/zinc/74/42/19/1196744219.db2.gz BSSYEJJFRDUUCX-UHFFFAOYSA-N 2 0 395.479 0.418 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000526131877 1196744285 /nfs/dbraw/zinc/74/42/85/1196744285.db2.gz ILCSXIFCSAESOB-UHFFFAOYSA-N 2 0 376.457 0.542 20 0 GCADRP CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527124232 1196767295 /nfs/dbraw/zinc/76/72/95/1196767295.db2.gz ZYLWHMOLQGKYIO-UHFFFAOYSA-N 2 0 377.489 0.844 20 0 GCADRP CC(=O)Nc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000527124214 1196767373 /nfs/dbraw/zinc/76/73/73/1196767373.db2.gz NNJFPWFVHXWEQW-UHFFFAOYSA-N 2 0 377.489 0.844 20 0 GCADRP CN(C)C(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000527124388 1196767456 /nfs/dbraw/zinc/76/74/56/1196767456.db2.gz JOVRZKWQCQRPCI-UHFFFAOYSA-N 2 0 377.489 0.279 20 0 GCADRP CN(C)C(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527123915 1196767471 /nfs/dbraw/zinc/76/74/71/1196767471.db2.gz CTTFQYWVBOVVMP-UHFFFAOYSA-N 2 0 377.489 0.279 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000527124071 1196767510 /nfs/dbraw/zinc/76/75/10/1196767510.db2.gz TWHRMEJNCIWPRZ-UHFFFAOYSA-N 2 0 389.500 0.469 20 0 GCADRP COC(=O)c1c(F)cccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527374233 1196784272 /nfs/dbraw/zinc/78/42/72/1196784272.db2.gz KVDPZEIAPCRCAP-UHFFFAOYSA-N 2 0 382.436 0.503 20 0 GCADRP CC1([NH+]2CCOCC2)CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000528693122 1196879512 /nfs/dbraw/zinc/87/95/12/1196879512.db2.gz BUBWTXKZONQFRN-UHFFFAOYSA-N 2 0 389.504 0.605 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000153941127 1196902868 /nfs/dbraw/zinc/90/28/68/1196902868.db2.gz SACAAZNWHDVOHV-OTWHNJEPSA-N 2 0 393.576 0.556 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529290922 1196912262 /nfs/dbraw/zinc/91/22/62/1196912262.db2.gz GNFDFZZJSUFSPA-IBGZPJMESA-N 2 0 375.517 0.612 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)C1 ZINC000529305597 1196912942 /nfs/dbraw/zinc/91/29/42/1196912942.db2.gz IYKCZCDYGOHUGX-MSOLQXFVSA-N 2 0 389.500 0.172 20 0 GCADRP CN(Cc1cc(C[N@H+](C)[C@]2(CO)CCOC2)ccc1F)[C@@]1(CO)CCOC1 ZINC000450706875 1196949068 /nfs/dbraw/zinc/94/90/68/1196949068.db2.gz GSBMGGNHCOPOPG-VQTJNVASSA-N 2 0 382.476 0.992 20 0 GCADRP OC[C@H]1CC[C@H](CO)[NH+]1Cc1cc(Cl)cc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000451005709 1196965373 /nfs/dbraw/zinc/96/53/73/1196965373.db2.gz SVQMWYKWFPNGFJ-UAFMIMERSA-N 2 0 398.931 0.975 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000530629987 1197000743 /nfs/dbraw/zinc/00/07/43/1197000743.db2.gz ANEXCESYVMLCJU-XUVXKRRUSA-N 2 0 389.544 0.414 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530814795 1197018521 /nfs/dbraw/zinc/01/85/21/1197018521.db2.gz HHYREYUIFHBERD-RXVVDRJESA-N 2 0 388.512 0.327 20 0 GCADRP COC(=O)C[C@H](C)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530835464 1197020029 /nfs/dbraw/zinc/02/00/29/1197020029.db2.gz VKPDRMDWDVAHIJ-UWJYYQICSA-N 2 0 389.496 0.719 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000530880736 1197022925 /nfs/dbraw/zinc/02/29/25/1197022925.db2.gz RHFIOJNVMPYMGR-GOSISDBHSA-N 2 0 375.517 0.886 20 0 GCADRP CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000532027689 1197107382 /nfs/dbraw/zinc/10/73/82/1197107382.db2.gz GFTNFBJKGCCESW-FHWLQOOXSA-N 2 0 398.548 0.089 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c2)CC1 ZINC000453921084 1197175287 /nfs/dbraw/zinc/17/52/87/1197175287.db2.gz SBVBIFIAJCJPBQ-QFBILLFUSA-N 2 0 385.512 0.930 20 0 GCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000177512086 1197190446 /nfs/dbraw/zinc/19/04/46/1197190446.db2.gz ZGOVDHMOKTZWRK-ROUUACIJSA-N 2 0 394.560 0.888 20 0 GCADRP C[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1(N2CCOCC2)CCCC1 ZINC000178823104 1197196504 /nfs/dbraw/zinc/19/65/04/1197196504.db2.gz HAAMOQAKZMJKEO-OAHLLOKOSA-N 2 0 376.505 0.966 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000189383646 1197236333 /nfs/dbraw/zinc/23/63/33/1197236333.db2.gz MZZWULAUQJLYCB-INIZCTEOSA-N 2 0 376.505 0.860 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000103268269 1197269902 /nfs/dbraw/zinc/26/99/02/1197269902.db2.gz JBEURZVGUSRNSS-UHFFFAOYSA-N 2 0 399.539 0.994 20 0 GCADRP COc1c(C)cnc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000785414679 1197280672 /nfs/dbraw/zinc/28/06/72/1197280672.db2.gz LGCRVIMCIYBZLF-MRXNPFEDSA-N 2 0 392.500 0.796 20 0 GCADRP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532568204 1197329772 /nfs/dbraw/zinc/32/97/72/1197329772.db2.gz NNXZKZGLTRDGHO-PKOBYXMFSA-N 2 0 394.560 0.887 20 0 GCADRP C(=C/C[N@H+]1CC[C@H](CN2CCOCC2)C1)\C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000129142783 1197364903 /nfs/dbraw/zinc/36/49/03/1197364903.db2.gz MDIQYDHKULHURM-HNSCLNPNSA-N 2 0 392.588 0.851 20 0 GCADRP CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000418842140 1197369976 /nfs/dbraw/zinc/36/99/76/1197369976.db2.gz HJHCNFFYVNTPLZ-QZTJIDSGSA-N 2 0 376.501 0.463 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000141481437 1197396164 /nfs/dbraw/zinc/39/61/64/1197396164.db2.gz WQIPHCWLYFOQOD-AEFFLSMTSA-N 2 0 377.533 0.951 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCN3C(=O)CNC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088579410 1197398070 /nfs/dbraw/zinc/39/80/70/1197398070.db2.gz FXWFIGVXJSXICH-FXUDXRNXSA-N 2 0 379.505 0.238 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCCC[NH2+]C)cc2)CC1 ZINC000419350125 1197417710 /nfs/dbraw/zinc/41/77/10/1197417710.db2.gz ZCCHOEWAELBBKN-UHFFFAOYSA-N 2 0 375.517 0.166 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000533223740 1197439461 /nfs/dbraw/zinc/43/94/61/1197439461.db2.gz MHFKCIRASWAFJO-GOSISDBHSA-N 2 0 381.565 0.907 20 0 GCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000533571962 1197459050 /nfs/dbraw/zinc/45/90/50/1197459050.db2.gz HKWFDVTZVUEGAW-QUCCMNQESA-N 2 0 377.533 0.587 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000246473164 1197471373 /nfs/dbraw/zinc/47/13/73/1197471373.db2.gz QVNYAOYRDDTKNK-NCXUSEDFSA-N 2 0 394.560 0.935 20 0 GCADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000246681488 1197473135 /nfs/dbraw/zinc/47/31/35/1197473135.db2.gz HEZABBMBYWVDSA-OTWHNJEPSA-N 2 0 394.560 0.888 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000246769586 1197473797 /nfs/dbraw/zinc/47/37/97/1197473797.db2.gz PHWAUFQHDYKJHC-GBESFXJTSA-N 2 0 392.544 0.500 20 0 GCADRP C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000248648304 1197479922 /nfs/dbraw/zinc/47/99/22/1197479922.db2.gz JOPIERUYLFKIBG-MUEFDENFSA-N 2 0 388.556 0.689 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000897529846 1197492692 /nfs/dbraw/zinc/49/26/92/1197492692.db2.gz WWPLMNLWUPRADE-MRXNPFEDSA-N 2 0 389.500 0.346 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(COC)CC[NH2+]CC2)CC1=O ZINC000261724281 1197512403 /nfs/dbraw/zinc/51/24/03/1197512403.db2.gz LYZWRHQUNZUXCK-DLBZAZTESA-N 2 0 380.533 0.452 20 0 GCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261750564 1197513679 /nfs/dbraw/zinc/51/36/79/1197513679.db2.gz DUKXNIDZNHWDJY-HNNXBMFYSA-N 2 0 392.466 0.974 20 0 GCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261758429 1197513725 /nfs/dbraw/zinc/51/37/25/1197513725.db2.gz FUMRJTYVAJNQHU-SJLPKXTDSA-N 3 0 379.549 0.167 20 0 GCADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261820263 1197516088 /nfs/dbraw/zinc/51/60/88/1197516088.db2.gz KHDAKGPLMDOVSB-BRWVUGGUSA-N 2 0 386.562 0.238 20 0 GCADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000261820270 1197516100 /nfs/dbraw/zinc/51/61/00/1197516100.db2.gz KHDAKGPLMDOVSB-ZACQAIPSSA-N 2 0 386.562 0.238 20 0 GCADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000261917998 1197519468 /nfs/dbraw/zinc/51/94/68/1197519468.db2.gz USRUJAAXRLGGNX-ULQDDVLXSA-N 2 0 388.516 0.496 20 0 GCADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262303577 1197529035 /nfs/dbraw/zinc/52/90/35/1197529035.db2.gz BXFFYDQYKQFYNM-HKUYNNGSSA-N 2 0 386.496 0.170 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643487663 1197533083 /nfs/dbraw/zinc/53/30/83/1197533083.db2.gz XRACCEYRIYKCCE-CRAIPNDOSA-N 2 0 376.476 0.926 20 0 GCADRP CCN(CCOCCO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000282067317 1197546448 /nfs/dbraw/zinc/54/64/48/1197546448.db2.gz BBFKEWFPMOTMJU-UHFFFAOYSA-N 2 0 379.505 0.634 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cn(CC(N)=O)nn3)CC2)c1 ZINC000459398242 1197578921 /nfs/dbraw/zinc/57/89/21/1197578921.db2.gz YFZGHKHGWPJFQO-UHFFFAOYSA-N 2 0 385.516 0.764 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC[NH+](C)CC1 ZINC000672008611 1199000244 /nfs/dbraw/zinc/00/02/44/1199000244.db2.gz AUCHQISLHDDNKJ-SJLPKXTDSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC[NH+](C)CC1 ZINC000672008603 1199000496 /nfs/dbraw/zinc/00/04/96/1199000496.db2.gz AUCHQISLHDDNKJ-AEFFLSMTSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000672011831 1199002314 /nfs/dbraw/zinc/00/23/14/1199002314.db2.gz XOZLLUDMNADFMY-IRXDYDNUSA-N 2 0 380.533 0.404 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672014524 1199004555 /nfs/dbraw/zinc/00/45/55/1199004555.db2.gz VHIWXKFYSRWXSC-FUHWJXTLSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010306 1199004830 /nfs/dbraw/zinc/00/48/30/1199004830.db2.gz UWVVUIMQPQKHRI-AOIWGVFYSA-N 2 0 393.576 0.317 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000155977993 1199027393 /nfs/dbraw/zinc/02/73/93/1199027393.db2.gz BGGLJPLRHVHOCZ-MAUKXSAKSA-N 2 0 388.516 0.859 20 0 GCADRP O=C(COCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108307180 1199044076 /nfs/dbraw/zinc/04/40/76/1199044076.db2.gz ZMWFURPFASOTJM-QZTJIDSGSA-N 2 0 378.517 0.204 20 0 GCADRP COc1cccc2c1OC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000672268988 1199181174 /nfs/dbraw/zinc/18/11/74/1199181174.db2.gz KEYHFASVLCCLMM-MRXNPFEDSA-N 2 0 392.500 0.067 20 0 GCADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465926064 1199184165 /nfs/dbraw/zinc/18/41/65/1199184165.db2.gz HFSBOLYQNNQZFL-RBUKOAKNSA-N 2 0 381.565 0.645 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672305373 1199198151 /nfs/dbraw/zinc/19/81/51/1199198151.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 2 0 391.560 0.214 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000672305717 1199198255 /nfs/dbraw/zinc/19/82/55/1199198255.db2.gz APXLLSMANHWFOS-IPMKNSEASA-N 2 0 392.544 0.471 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000499518037 1199202527 /nfs/dbraw/zinc/20/25/27/1199202527.db2.gz GNIXDDFATFMGNK-KRWDZBQOSA-N 2 0 388.578 0.533 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672310567 1199203185 /nfs/dbraw/zinc/20/31/85/1199203185.db2.gz ZHVTYUQJTYUYEK-MRXNPFEDSA-N 2 0 380.533 0.593 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000672308959 1199204311 /nfs/dbraw/zinc/20/43/11/1199204311.db2.gz GWKGEZIUVMRBFW-QZTJIDSGSA-N 2 0 378.517 0.158 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC[C@H]21 ZINC000672313596 1199204463 /nfs/dbraw/zinc/20/44/63/1199204463.db2.gz GHQXHIQMNDRDFU-QZTJIDSGSA-N 2 0 392.544 0.690 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672311569 1199205180 /nfs/dbraw/zinc/20/51/80/1199205180.db2.gz JDGFXQXDHXRFQK-ZWKOTPCHSA-N 2 0 380.533 0.546 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1CCCC1 ZINC000672330365 1199209665 /nfs/dbraw/zinc/20/96/65/1199209665.db2.gz WFNJWYHTYRMGCJ-GOSISDBHSA-N 2 0 379.549 0.215 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000672358470 1199218630 /nfs/dbraw/zinc/21/86/30/1199218630.db2.gz ANLCXUCGFUIVCH-LJQANCHMSA-N 2 0 394.560 0.938 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639401 1199290957 /nfs/dbraw/zinc/29/09/57/1199290957.db2.gz BZTOXRNUJCDBCZ-DLBZAZTESA-N 2 0 379.549 0.262 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640975 1199298351 /nfs/dbraw/zinc/29/83/51/1199298351.db2.gz HXJLNVHYIGFGFA-AEFFLSMTSA-N 2 0 395.592 0.754 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640959 1199298472 /nfs/dbraw/zinc/29/84/72/1199298472.db2.gz HPQOGHXPGSIGNW-KRWDZBQOSA-N 2 0 379.549 0.215 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640976 1199298996 /nfs/dbraw/zinc/29/89/96/1199298996.db2.gz HXJLNVHYIGFGFA-FUHWJXTLSA-N 2 0 395.592 0.754 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641306 1199299159 /nfs/dbraw/zinc/29/91/59/1199299159.db2.gz OYUOYBQBLVUMGE-KRWDZBQOSA-N 2 0 391.560 0.262 20 0 GCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640631 1199299314 /nfs/dbraw/zinc/29/93/14/1199299314.db2.gz DYUADZDRMYOXQB-AEFFLSMTSA-N 2 0 393.576 0.460 20 0 GCADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000672640700 1199300290 /nfs/dbraw/zinc/30/02/90/1199300290.db2.gz GRCDVUBLHAPDOO-SFHVURJKSA-N 2 0 395.592 0.896 20 0 GCADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000672640699 1199300389 /nfs/dbraw/zinc/30/03/89/1199300389.db2.gz GRCDVUBLHAPDOO-GOSISDBHSA-N 2 0 395.592 0.896 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642106 1199300486 /nfs/dbraw/zinc/30/04/86/1199300486.db2.gz XVNAIZMBVMSVTD-SFHVURJKSA-N 2 0 395.592 0.852 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672642481 1199300737 /nfs/dbraw/zinc/30/07/37/1199300737.db2.gz BMQDISWDHHQYCN-IAGOWNOFSA-N 2 0 379.549 0.260 20 0 GCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672641793 1199303104 /nfs/dbraw/zinc/30/31/04/1199303104.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 2 0 379.549 0.071 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642953 1199303246 /nfs/dbraw/zinc/30/32/46/1199303246.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643005 1199306416 /nfs/dbraw/zinc/30/64/16/1199306416.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 2 0 377.533 0.013 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672655524 1199309945 /nfs/dbraw/zinc/30/99/45/1199309945.db2.gz AMHZSXZLHLACHS-RTBURBONSA-N 2 0 393.576 0.606 20 0 GCADRP CC(C)[C@@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCN(C)CC1 ZINC000077550006 1199313926 /nfs/dbraw/zinc/31/39/26/1199313926.db2.gz LFBBLTRXKDMAIZ-LJQANCHMSA-N 2 0 382.597 0.585 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672692646 1199317410 /nfs/dbraw/zinc/31/74/10/1199317410.db2.gz HIHOPNDJQWGLLR-IEBWSBKVSA-N 2 0 393.576 0.604 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672815283 1199342874 /nfs/dbraw/zinc/34/28/74/1199342874.db2.gz ZBCQWAJPDSSRJB-MRXNPFEDSA-N 2 0 383.537 0.027 20 0 GCADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000672854548 1199352563 /nfs/dbraw/zinc/35/25/63/1199352563.db2.gz QISANEJBKMUVIZ-GOSISDBHSA-N 2 0 387.528 0.432 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2)CC1 ZINC000466144661 1199494915 /nfs/dbraw/zinc/49/49/15/1199494915.db2.gz YOMISVRECLKTBN-RTBURBONSA-N 2 0 380.581 0.291 20 0 GCADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000673284138 1199514978 /nfs/dbraw/zinc/51/49/78/1199514978.db2.gz WTUPVOURTRWIOE-IBGZPJMESA-N 2 0 388.512 0.595 20 0 GCADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000673284139 1199515446 /nfs/dbraw/zinc/51/54/46/1199515446.db2.gz WTUPVOURTRWIOE-LJQANCHMSA-N 2 0 388.512 0.595 20 0 GCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000673427677 1199630020 /nfs/dbraw/zinc/63/00/20/1199630020.db2.gz GRMBHUGKXJPGCN-IRXDYDNUSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000673586577 1199833541 /nfs/dbraw/zinc/83/35/41/1199833541.db2.gz NNTORNLXNIENLB-GUDVDZBRSA-N 2 0 394.560 0.860 20 0 GCADRP Cn1cc(N2C[C@@H](C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)CC2=O)cn1 ZINC000624938420 1199843078 /nfs/dbraw/zinc/84/30/78/1199843078.db2.gz YVXJSAOZBJAGBH-HNNXBMFYSA-N 2 0 388.516 0.448 20 0 GCADRP CCOC(=O)C(C(=O)OCC)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735233 1199875579 /nfs/dbraw/zinc/87/55/79/1199875579.db2.gz KFJOGLSAHRSYEO-UHFFFAOYSA-N 2 0 378.433 0.280 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926008 /nfs/dbraw/zinc/92/60/08/1199926008.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 2 0 386.540 0.908 20 0 GCADRP O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673872070 1199963656 /nfs/dbraw/zinc/96/36/56/1199963656.db2.gz IHKJDSXNXSMZTF-MSOLQXFVSA-N 2 0 392.504 0.278 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000674030864 1200126719 /nfs/dbraw/zinc/12/67/19/1200126719.db2.gz OVSUTRGKBURVAI-FHWLQOOXSA-N 2 0 381.565 0.907 20 0 GCADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000674320582 1200219823 /nfs/dbraw/zinc/21/98/23/1200219823.db2.gz KBDIHHIXTQUJAP-UHFFFAOYSA-N 2 0 392.500 0.793 20 0 GCADRP COC1CC[NH+](CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000674327786 1200221840 /nfs/dbraw/zinc/22/18/40/1200221840.db2.gz QAMQXUFMQSBYAR-UHFFFAOYSA-N 2 0 390.532 0.743 20 0 GCADRP CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccco1 ZINC000670526487 1200404473 /nfs/dbraw/zinc/40/44/73/1200404473.db2.gz YPOHZZRUVUWMMX-DLBZAZTESA-N 2 0 391.516 0.237 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047696 1200480300 /nfs/dbraw/zinc/48/03/00/1200480300.db2.gz UDSDKTCVXOANMZ-SXLOBPIMSA-N 2 0 393.576 0.832 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)C1 ZINC000676169425 1200505181 /nfs/dbraw/zinc/50/51/81/1200505181.db2.gz XLZOOPLSGYNKAZ-SLFFLAALSA-N 2 0 393.576 0.786 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000676546863 1200569973 /nfs/dbraw/zinc/56/99/73/1200569973.db2.gz SEBAXEDCFXPRMV-INIZCTEOSA-N 2 0 392.504 0.097 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000366739531 1200637745 /nfs/dbraw/zinc/63/77/45/1200637745.db2.gz WIKOHZKNCMTWRK-KRWDZBQOSA-N 2 0 390.532 1.297 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)n2)CC1 ZINC000427002965 1200672520 /nfs/dbraw/zinc/67/25/20/1200672520.db2.gz SNYHNEHKMARRKI-UHFFFAOYSA-N 2 0 390.532 1.467 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427549856 1200713417 /nfs/dbraw/zinc/71/34/17/1200713417.db2.gz MUOKOPKBETUZOJ-INIZCTEOSA-N 2 0 390.532 1.182 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000477030002 1200788552 /nfs/dbraw/zinc/78/85/52/1200788552.db2.gz UYENIWNXRGVVLJ-APWZRJJASA-N 2 0 390.528 0.716 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000477100030 1200821930 /nfs/dbraw/zinc/82/19/30/1200821930.db2.gz MLGYZCXNFYFBPA-OAHLLOKOSA-N 2 0 377.489 0.585 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000477107506 1200826715 /nfs/dbraw/zinc/82/67/15/1200826715.db2.gz MYYJVCVBCCVISV-MRXNPFEDSA-N 2 0 390.532 0.296 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000477111271 1200834225 /nfs/dbraw/zinc/83/42/25/1200834225.db2.gz XZPLHWWKJZTGMT-SFHVURJKSA-N 2 0 395.592 0.850 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373259934 1200846667 /nfs/dbraw/zinc/84/66/67/1200846667.db2.gz XFBNYPYJJGOSCK-UHFFFAOYSA-N 2 0 378.521 1.279 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376079542 1200901337 /nfs/dbraw/zinc/90/13/37/1200901337.db2.gz HLRKZSGPWRHMRR-QGZVFWFLSA-N 2 0 391.564 1.545 20 0 GCADRP O=C1N[C@@H]2C[N@H+](C[C@H](O)COc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923378183 1200973232 /nfs/dbraw/zinc/97/32/32/1200973232.db2.gz BZTPHHAFISQLMZ-QXAKKESOSA-N 2 0 392.475 0.786 20 0 GCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000923488950 1201042945 /nfs/dbraw/zinc/04/29/45/1201042945.db2.gz CGFNCCCSQPAWCS-INIZCTEOSA-N 2 0 380.514 0.190 20 0 GCADRP C[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079725015 1201254888 /nfs/dbraw/zinc/25/48/88/1201254888.db2.gz QYBBPNMFFXGFEN-KBUPBQIOSA-N 2 0 379.505 0.094 20 0 GCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000731134802 1201474160 /nfs/dbraw/zinc/47/41/60/1201474160.db2.gz QYCYSCTVRUDTAK-KRWDZBQOSA-N 2 0 385.512 0.977 20 0 GCADRP C[NH+]1CC[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000742567670 1201802091 /nfs/dbraw/zinc/80/20/91/1201802091.db2.gz SRKVBZFTOATQAP-VXGBXAGGSA-N 2 0 382.402 0.393 20 0 GCADRP C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000923602720 1201844061 /nfs/dbraw/zinc/84/40/61/1201844061.db2.gz DYSLZZXVFCNNEB-CQSZACIVSA-N 2 0 385.509 0.378 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134920 1201933091 /nfs/dbraw/zinc/93/30/91/1201933091.db2.gz XERVXPMDVHGILC-BWTSREIZSA-N 3 0 377.577 0.782 20 0 GCADRP CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@H]2S1(=O)=O ZINC001169141231 1201933315 /nfs/dbraw/zinc/93/33/15/1201933315.db2.gz WADZZDIFBRMSHT-UYTYNIKBSA-N 2 0 398.573 0.426 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001169170677 1201937136 /nfs/dbraw/zinc/93/71/36/1201937136.db2.gz ZXLSWYCLFCHRMP-JKSUJKDBSA-N 2 0 390.532 0.924 20 0 GCADRP CC[NH+]1CCC([NH2+]CCOCCOCCOCCOCCOCCO)CC1 ZINC001169230070 1201940198 /nfs/dbraw/zinc/94/01/98/1201940198.db2.gz NGBYIELRNKSRGU-UHFFFAOYSA-N 2 0 392.537 0.136 20 0 GCADRP C[NH+]1CCC(NC(=O)c2ccc(NCc3ncn4c3C[NH2+]CCC4)nn2)CC1 ZINC001169240541 1201940524 /nfs/dbraw/zinc/94/05/24/1201940524.db2.gz JWPAZCBJUGZUHU-UHFFFAOYSA-N 2 0 384.488 0.603 20 0 GCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001109371742 1202031427 /nfs/dbraw/zinc/03/14/27/1202031427.db2.gz SKZWHILNQFBDOM-XWSJACJDSA-N 2 0 380.533 0.735 20 0 GCADRP CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399789 1202037841 /nfs/dbraw/zinc/03/78/41/1202037841.db2.gz XCJIWXWNLPOPLX-WCVJEAGWSA-N 2 0 379.505 0.426 20 0 GCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538729 1202076092 /nfs/dbraw/zinc/07/60/92/1202076092.db2.gz PMRLALCXTKDWOA-OWEAFNKSSA-N 2 0 379.501 0.234 20 0 GCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109643552 1202096645 /nfs/dbraw/zinc/09/66/45/1202096645.db2.gz NRVZIVQAPOCNQU-UJCHZGTJSA-N 2 0 380.533 0.591 20 0 GCADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1)CC(C)(C)C ZINC001109728938 1202113382 /nfs/dbraw/zinc/11/33/82/1202113382.db2.gz KOAMPGABSNVIAH-BDXSIMOUSA-N 2 0 377.533 0.943 20 0 GCADRP CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnc1C)C2 ZINC001109844744 1202134646 /nfs/dbraw/zinc/13/46/46/1202134646.db2.gz GJJWBCDVXJTXSW-ILXRZTDVSA-N 2 0 376.461 0.149 20 0 GCADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)CC1 ZINC001109900426 1202145949 /nfs/dbraw/zinc/14/59/49/1202145949.db2.gz OWBCLPHWLNTHHE-NJAFHUGGSA-N 2 0 378.517 0.441 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000772181742 1202175937 /nfs/dbraw/zinc/17/59/37/1202175937.db2.gz BBMOUZJVRGSHAH-UHFFFAOYSA-N 2 0 385.509 0.597 20 0 GCADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000787893990 1205405167 /nfs/dbraw/zinc/40/51/67/1205405167.db2.gz HJINEBFJJOGUQA-ROUUACIJSA-N 2 0 380.533 0.594 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000788912063 1205433102 /nfs/dbraw/zinc/43/31/02/1205433102.db2.gz BNBXWDHIKQCPCJ-UHFFFAOYSA-N 2 0 382.549 0.984 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000790186554 1205458599 /nfs/dbraw/zinc/45/85/99/1205458599.db2.gz KLMXHMCSOBTRJD-WMZOPIPTSA-N 2 0 380.533 0.594 20 0 GCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790273887 1205461657 /nfs/dbraw/zinc/46/16/57/1205461657.db2.gz OLMXRJKVYRQXJR-OKZBNKHCSA-N 2 0 378.517 0.489 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790471445 1205465112 /nfs/dbraw/zinc/46/51/12/1205465112.db2.gz KRAUGKZOJRKAQG-OAHLLOKOSA-N 2 0 399.536 0.064 20 0 GCADRP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1nccnc1N1CC[NH2+]CC1 ZINC001170161740 1205482987 /nfs/dbraw/zinc/48/29/87/1205482987.db2.gz JBDPKGZUUAXYIV-UHFFFAOYSA-N 2 0 382.472 0.754 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cncc(N)c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170391550 1205491323 /nfs/dbraw/zinc/49/13/23/1205491323.db2.gz MPZMCWRTYPILNF-FLXRQSBHSA-N 2 0 381.521 0.937 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(N)nn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170393619 1205491575 /nfs/dbraw/zinc/49/15/75/1205491575.db2.gz JSDUSUXBPKVWTP-HLNSEHPISA-N 2 0 382.509 0.332 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(N)nc2)[C@H](O)OC(C)(C)C)C1 ZINC001170392315 1205491602 /nfs/dbraw/zinc/49/16/02/1205491602.db2.gz PDRUZHOPHRSUFP-XMSFWSCYSA-N 2 0 382.509 0.332 20 0 GCADRP COc1ncncc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392774 1205491620 /nfs/dbraw/zinc/49/16/20/1205491620.db2.gz QLBMZRLCGVVDCZ-TZUPDSNESA-N 2 0 397.520 0.759 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc(C[NH3+])n2)[C@H](O)OC(C)(C)C)C1 ZINC001170401039 1205491779 /nfs/dbraw/zinc/49/17/79/1205491779.db2.gz VHRCZOSFECXEIW-AOILIUCDSA-N 3 0 395.548 0.814 20 0 GCADRP Cn1nccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1=O ZINC001170399875 1205491813 /nfs/dbraw/zinc/49/18/13/1205491813.db2.gz OQWLTORBVQQVLR-XRDYDQJJSA-N 2 0 397.520 0.054 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000793727557 1205503710 /nfs/dbraw/zinc/50/37/10/1205503710.db2.gz UFQPSOPNZFXZRA-BHIYHBOVSA-N 2 0 394.560 0.861 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000793707124 1205504496 /nfs/dbraw/zinc/50/44/96/1205504496.db2.gz DNIXCJPFLYDAHE-MRXNPFEDSA-N 2 0 382.549 0.983 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000793708208 1205504716 /nfs/dbraw/zinc/50/47/16/1205504716.db2.gz LSBSGGOZAVJIED-IAGOWNOFSA-N 2 0 380.533 0.594 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)c1 ZINC000793872021 1205508278 /nfs/dbraw/zinc/50/82/78/1205508278.db2.gz WRDMURGCGTUVHR-MOPGFXCFSA-N 2 0 388.512 0.734 20 0 GCADRP O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110102224 1205513626 /nfs/dbraw/zinc/51/36/26/1205513626.db2.gz WLUPTKVSLMEBPH-KBXIAJHMSA-N 2 0 379.423 0.744 20 0 GCADRP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc12 ZINC000806537732 1205558320 /nfs/dbraw/zinc/55/83/20/1205558320.db2.gz VCZRVFVZHNCOQT-SJORKVTESA-N 2 0 385.468 0.281 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000808324076 1205605927 /nfs/dbraw/zinc/60/59/27/1205605927.db2.gz ALNNYMGYBFRFHM-QGZVFWFLSA-N 2 0 380.920 0.875 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)C(=O)OC4)C2)CC1 ZINC000808940335 1205614838 /nfs/dbraw/zinc/61/48/38/1205614838.db2.gz VQOPKYGJSDNBBO-OAHLLOKOSA-N 2 0 386.452 0.580 20 0 GCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)CC[N@@H+]1C ZINC001086700167 1205660153 /nfs/dbraw/zinc/66/01/53/1205660153.db2.gz AZJRSEFRKIHDQF-QKPAOTATSA-N 2 0 393.532 0.532 20 0 GCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCCOCC1 ZINC001170788023 1205705167 /nfs/dbraw/zinc/70/51/67/1205705167.db2.gz PAKZIEKEGGMZAA-GOSISDBHSA-N 2 0 378.510 0.187 20 0 GCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)S(C)(=O)=O)cn1 ZINC001172119678 1205713101 /nfs/dbraw/zinc/71/31/01/1205713101.db2.gz YUKNNNRYODQCIF-BRIYLRKRSA-N 2 0 395.573 0.970 20 0 GCADRP CC1(C)C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CO1 ZINC001172275951 1205714864 /nfs/dbraw/zinc/71/48/64/1205714864.db2.gz AIYRJKXRXZFHCI-QGZVFWFLSA-N 2 0 378.510 0.185 20 0 GCADRP COCCC[NH+]1CCC(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001172251340 1205715127 /nfs/dbraw/zinc/71/51/27/1205715127.db2.gz CIASNKAPZZQZAJ-UHFFFAOYSA-N 2 0 390.576 0.947 20 0 GCADRP COCCC[NH+]1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001172252262 1205715234 /nfs/dbraw/zinc/71/52/34/1205715234.db2.gz PXZVJGHGBXFXSU-UHFFFAOYSA-N 2 0 399.561 0.291 20 0 GCADRP CCOCC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001172415485 1205715845 /nfs/dbraw/zinc/71/58/45/1205715845.db2.gz WAMWKRRHQSJUAF-GOSISDBHSA-N 2 0 380.526 0.433 20 0 GCADRP CC(C)OCC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001172435695 1205715948 /nfs/dbraw/zinc/71/59/48/1205715948.db2.gz JTKFYXCDRKDZBK-IBGZPJMESA-N 2 0 394.553 0.821 20 0 GCADRP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612625 1205716541 /nfs/dbraw/zinc/71/65/41/1205716541.db2.gz COSAHIPPEQPJLT-BSDSXHPESA-N 2 0 381.517 0.829 20 0 GCADRP COC(=O)N1CCC([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172738420 1205716916 /nfs/dbraw/zinc/71/69/16/1205716916.db2.gz SPQBJUJTOIZIMP-NVXWUHKLSA-N 2 0 382.505 0.328 20 0 GCADRP COc1ccc(CN2CC[C@@H]([NH+]3CCN(CC[NH3+])CC3)CC2=O)c(OC)c1 ZINC001173025519 1205718503 /nfs/dbraw/zinc/71/85/03/1205718503.db2.gz JGRRBCIRVYIDEU-QGZVFWFLSA-N 2 0 376.501 0.771 20 0 GCADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)C[C@@H]1C(=O)OC ZINC001173571063 1205723901 /nfs/dbraw/zinc/72/39/01/1205723901.db2.gz XXKFXKPUGHCUJA-WFLNUHJHSA-N 2 0 383.489 0.306 20 0 GCADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)C[C@@H]1C(=O)OC ZINC001173571061 1205723986 /nfs/dbraw/zinc/72/39/86/1205723986.db2.gz XXKFXKPUGHCUJA-JHJNDJDLSA-N 2 0 383.489 0.306 20 0 GCADRP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173588110 1205725403 /nfs/dbraw/zinc/72/54/03/1205725403.db2.gz SWDQZMQQYWVIBA-NNZMDNLPSA-N 2 0 381.517 0.687 20 0 GCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173749970 1205727304 /nfs/dbraw/zinc/72/73/04/1205727304.db2.gz DJAHNQOITLWWSY-MSOLQXFVSA-N 2 0 385.516 0.981 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755731 1205727683 /nfs/dbraw/zinc/72/76/83/1205727683.db2.gz WBDPUFVNZGNYHJ-VSZNYVQBSA-N 2 0 391.520 0.268 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cc[nH]n2)[C@@H](O)OC(C)(C)C)C1 ZINC001175762210 1205741020 /nfs/dbraw/zinc/74/10/20/1205741020.db2.gz QIMDXQZJMQBGQJ-ADBDHWBDSA-N 2 0 397.520 0.248 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001176542501 1205748285 /nfs/dbraw/zinc/74/82/85/1205748285.db2.gz KYCYBQVGBJKBNQ-ARFHVFGLSA-N 2 0 384.521 0.499 20 0 GCADRP Nc1cn(-c2cnn(CC[NH+]3CCCC3)c2)ccc1=[NH+]CCN1CCOCC1 ZINC001176558505 1205749387 /nfs/dbraw/zinc/74/93/87/1205749387.db2.gz LAMKASCJQSXKIH-UHFFFAOYSA-N 2 0 385.516 0.585 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176637245 1205750712 /nfs/dbraw/zinc/75/07/12/1205750712.db2.gz YXEGPTQFDYAKKG-CQSZACIVSA-N 2 0 379.505 0.725 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cnc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001176836377 1205756042 /nfs/dbraw/zinc/75/60/42/1205756042.db2.gz HETQCCPSAOCPGR-LZDZAVHKSA-N 2 0 397.520 0.248 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 ZINC001177396805 1205769174 /nfs/dbraw/zinc/76/91/74/1205769174.db2.gz QFTILBGKNUMDGY-HNNXBMFYSA-N 2 0 383.456 0.279 20 0 GCADRP O=S(=O)(CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)N1CCOCC1 ZINC001177753870 1205776392 /nfs/dbraw/zinc/77/63/92/1205776392.db2.gz USLFMBKYIYWGPR-UHFFFAOYSA-N 2 0 397.541 0.913 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001177875357 1205777667 /nfs/dbraw/zinc/77/76/67/1205777667.db2.gz WPJKLFVEJFLYNA-KWFCSAJOSA-N 2 0 396.532 0.853 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 ZINC001178666324 1205791555 /nfs/dbraw/zinc/79/15/55/1205791555.db2.gz GKYCUKLWMONWAE-ZIAGYGMSSA-N 2 0 385.509 0.668 20 0 GCADRP CN1CCN(c2ncc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cn2)CC1 ZINC001178791190 1205794592 /nfs/dbraw/zinc/79/45/92/1205794592.db2.gz SJGCAWCVGLVBGN-UHFFFAOYSA-N 2 0 381.546 0.921 20 0 GCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCOC[C@@H]3C[NH+](C)C)CC2)CC1 ZINC001179012341 1205799468 /nfs/dbraw/zinc/79/94/68/1205799468.db2.gz KODGMAHZEJEEIO-IBGZPJMESA-N 2 0 380.533 0.498 20 0 GCADRP CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3(C[NH3+])COC3)C2)CC1 ZINC001179380883 1205809248 /nfs/dbraw/zinc/80/92/48/1205809248.db2.gz WIGBIQQBXFZKJW-OAHLLOKOSA-N 2 0 396.532 0.942 20 0 GCADRP CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C[C@H]2C1 ZINC001179472480 1205810821 /nfs/dbraw/zinc/81/08/21/1205810821.db2.gz VYUNLJLTUKNKHW-MELADBBJSA-N 2 0 383.493 0.862 20 0 GCADRP C[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)[NH+]1CCCC1 ZINC001180579541 1205826295 /nfs/dbraw/zinc/82/62/95/1205826295.db2.gz MTTWZZUEQAYPFR-KRWDZBQOSA-N 2 0 379.549 0.168 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[N@H+](C)C1CCCC1)CC2 ZINC001180627296 1205828775 /nfs/dbraw/zinc/82/87/75/1205828775.db2.gz FBHZFQFMVOEQHJ-UHFFFAOYSA-N 3 0 393.576 0.558 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001181996356 1205853034 /nfs/dbraw/zinc/85/30/34/1205853034.db2.gz PKZNKIOQOQSCQA-GOSISDBHSA-N 2 0 393.576 0.558 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001182031079 1205854002 /nfs/dbraw/zinc/85/40/02/1205854002.db2.gz LHNIJGKERPZREQ-RDTXWAMCSA-N 2 0 378.448 0.531 20 0 GCADRP CC[C@H](CO)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001183174056 1205888217 /nfs/dbraw/zinc/88/82/17/1205888217.db2.gz OKVMJPBSJCTINZ-XBEOPHEFSA-N 2 0 389.537 0.301 20 0 GCADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C(=O)NCC[NH2+]CCO)CC2)C1 ZINC001183157462 1205888766 /nfs/dbraw/zinc/88/87/66/1205888766.db2.gz LUZGDFGUDPLGKL-MRXNPFEDSA-N 2 0 384.521 0.406 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000774792074 1205914220 /nfs/dbraw/zinc/91/42/20/1205914220.db2.gz YWGKBILXCNEQBF-SFHVURJKSA-N 2 0 382.549 0.981 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001185251365 1205919411 /nfs/dbraw/zinc/91/94/11/1205919411.db2.gz NPBQANYWOZKJHB-UHOSZYNNSA-N 2 0 376.476 0.735 20 0 GCADRP CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185843301 1205930357 /nfs/dbraw/zinc/93/03/57/1205930357.db2.gz MZKMZNPMKPZMQS-QWHCGFSZSA-N 2 0 385.465 0.246 20 0 GCADRP CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185843294 1205930419 /nfs/dbraw/zinc/93/04/19/1205930419.db2.gz MZKMZNPMKPZMQS-CHWSQXEVSA-N 2 0 385.465 0.246 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(N)=O)oc1C ZINC001186357997 1205938600 /nfs/dbraw/zinc/93/86/00/1205938600.db2.gz OJHLHDJGYDSIGW-CQSZACIVSA-N 2 0 386.518 0.724 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)NCC1CCOCC1)CC2 ZINC001186918826 1205951805 /nfs/dbraw/zinc/95/18/05/1205951805.db2.gz JXIIHPWEJZOJSS-UHFFFAOYSA-N 2 0 395.548 0.293 20 0 GCADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000775132683 1205966027 /nfs/dbraw/zinc/96/60/27/1205966027.db2.gz ANFHCUPECWMWCS-GOSISDBHSA-N 2 0 391.516 0.194 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001187958108 1205972050 /nfs/dbraw/zinc/97/20/50/1205972050.db2.gz JFHFMZTVBOIQTP-YYIAUSFCSA-N 2 0 379.549 0.957 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188509773 1205984966 /nfs/dbraw/zinc/98/49/66/1205984966.db2.gz VQPXLSBRMDHJFL-UHFFFAOYSA-N 2 0 385.534 0.032 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCOC1CCOCC1 ZINC001189383001 1206002793 /nfs/dbraw/zinc/00/27/93/1206002793.db2.gz CHPFZVBRRZUPGF-UHFFFAOYSA-N 2 0 377.551 0.470 20 0 GCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164683899 719700274 /nfs/dbraw/zinc/70/02/74/719700274.db2.gz LUVAHAKPQXOJLM-UHFFFAOYSA-N 2 0 387.532 0.409 20 0 GCADRP Cn1nnc2c1CCN(c1cc(C3C[NH2+]C3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719262 720206663 /nfs/dbraw/zinc/20/66/63/720206663.db2.gz PUNWMZWAXYRKRQ-GOSISDBHSA-N 2 0 398.515 0.508 20 0 GCADRP O=C(c1nn(-c2ccc(C[NH+]3CCCC3)cn2)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164817039 720247144 /nfs/dbraw/zinc/24/71/44/720247144.db2.gz ODTJFJXIYSUMNJ-UHFFFAOYSA-N 2 0 382.468 0.939 20 0 GCADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164743678 720620463 /nfs/dbraw/zinc/62/04/63/720620463.db2.gz PZMVCYGWFMOIKX-IAGOWNOFSA-N 2 0 396.499 0.360 20 0 GCADRP c1ncc(O[C@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)cn1 ZINC001164743762 720708941 /nfs/dbraw/zinc/70/89/41/720708941.db2.gz YEVVOGOAQGTIBQ-HOTGVXAUSA-N 2 0 382.472 0.018 20 0 GCADRP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737772 720738907 /nfs/dbraw/zinc/73/89/07/720738907.db2.gz CQNKYZCTCRIWHV-ROUUACIJSA-N 2 0 381.484 0.623 20 0 GCADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164866031 721061151 /nfs/dbraw/zinc/06/11/51/721061151.db2.gz BTIRVDXVJCWRKN-RTBURBONSA-N 2 0 395.511 0.761 20 0 GCADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889763 721422616 /nfs/dbraw/zinc/42/26/16/721422616.db2.gz RJSXLHBTJZHHCE-GHTZIAJQSA-N 2 0 386.544 0.888 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821586053 945725246 /nfs/dbraw/zinc/72/52/46/945725246.db2.gz HTRTVGYGGAOTNS-UHFFFAOYSA-N 2 0 378.456 0.641 20 0 GCADRP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571281418 945804550 /nfs/dbraw/zinc/80/45/50/945804550.db2.gz IGRZDOAJARDHLQ-NVXWUHKLSA-N 2 0 387.488 0.524 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571305809 946375995 /nfs/dbraw/zinc/37/59/95/946375995.db2.gz KNQWHYGAMSOOAG-ZDUSSCGKSA-N 2 0 391.501 0.341 20 0 GCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825919284 947371815 /nfs/dbraw/zinc/37/18/15/947371815.db2.gz YAHGDBQCXQKKFK-UHFFFAOYSA-N 2 0 386.504 0.765 20 0 GCADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCC1 ZINC001573775656 949051323 /nfs/dbraw/zinc/05/13/23/949051323.db2.gz ZMSFVGIKVOETHP-INIZCTEOSA-N 2 0 387.488 0.308 20 0 GCADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263783 949406044 /nfs/dbraw/zinc/40/60/44/949406044.db2.gz JMBPOAWBHXQXSR-OCCSQVGLSA-N 2 0 387.463 0.894 20 0 GCADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574711651 949545605 /nfs/dbraw/zinc/54/56/05/949545605.db2.gz JXEBQUXRJFDJFT-GXTWGEPZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957435 949614622 /nfs/dbraw/zinc/61/46/22/949614622.db2.gz XXWPCQAYBAQXOL-OUCADQQQSA-N 2 0 375.452 0.940 20 0 GCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574157628 950247051 /nfs/dbraw/zinc/24/70/51/950247051.db2.gz FJHKYAKUVAJDSM-RBSFLKMASA-N 2 0 386.504 0.967 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193289 950292814 /nfs/dbraw/zinc/29/28/14/950292814.db2.gz SCWIHEWAASTYMW-GUYCJALGSA-N 2 0 384.488 0.674 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196765 950369768 /nfs/dbraw/zinc/36/97/68/950369768.db2.gz HMYMHZJBWRBZLQ-LSDHHAIUSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576196986 950376776 /nfs/dbraw/zinc/37/67/76/950376776.db2.gz LAFXLJTZFQCEDS-CQSZACIVSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207630 950593233 /nfs/dbraw/zinc/59/32/33/950593233.db2.gz HWKVEQHWAXJIFD-QWHCGFSZSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207631 950593265 /nfs/dbraw/zinc/59/32/65/950593265.db2.gz HWKVEQHWAXJIFD-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208353 950609822 /nfs/dbraw/zinc/60/98/22/950609822.db2.gz OHYQMNWNTQUHDC-CHWSQXEVSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208944 950620629 /nfs/dbraw/zinc/62/06/29/950620629.db2.gz VNCWAGJRFJPRKY-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576226783 950892222 /nfs/dbraw/zinc/89/22/22/950892222.db2.gz ARFFPEYXGJGBLN-HIFRSBDPSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576226788 950892400 /nfs/dbraw/zinc/89/24/00/950892400.db2.gz ARFFPEYXGJGBLN-ZFWWWQNUSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229175 950964492 /nfs/dbraw/zinc/96/44/92/950964492.db2.gz JOSXTUONIULDRB-KGLIPLIRSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575077419 951668096 /nfs/dbraw/zinc/66/80/96/951668096.db2.gz CLURMTORVRUJHD-TZMCWYRMSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079479 951691930 /nfs/dbraw/zinc/69/19/30/951691930.db2.gz PZADLYAMZKXDJZ-BLLLJJGKSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079489 951692111 /nfs/dbraw/zinc/69/21/11/951692111.db2.gz PZADLYAMZKXDJZ-WBMJQRKESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089406 951749128 /nfs/dbraw/zinc/74/91/28/951749128.db2.gz FLEHZNMODZRXIM-LRDDRELGSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101244 951855804 /nfs/dbraw/zinc/85/58/04/951855804.db2.gz BGJCAJYCHCHWEL-JSGCOSHPSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575101512 951859081 /nfs/dbraw/zinc/85/90/81/951859081.db2.gz GEOITPWCNZNAOT-GXTWGEPZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575144759 952171011 /nfs/dbraw/zinc/17/10/11/952171011.db2.gz LCXJSUSJLJABQX-AWEZNQCLSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575145503 952186182 /nfs/dbraw/zinc/18/61/82/952186182.db2.gz YUVCWWCPIQZFSB-GOSISDBHSA-N 2 0 382.472 0.476 20 0 GCADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571190018 952938672 /nfs/dbraw/zinc/93/86/72/952938672.db2.gz CJIJQQKCEUMWEA-SJLPKXTDSA-N 2 0 381.484 0.995 20 0 GCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001571250225 953309187 /nfs/dbraw/zinc/30/91/87/953309187.db2.gz OPPDJGFVLQCZIC-UKRRQHHQSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001571250224 953309634 /nfs/dbraw/zinc/30/96/34/953309634.db2.gz OPPDJGFVLQCZIC-HIFRSBDPSA-N 2 0 384.488 0.817 20 0 GCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252707 953331767 /nfs/dbraw/zinc/33/17/67/953331767.db2.gz URFGFTGZKGCJRJ-LSDHHAIUSA-N 2 0 384.488 0.818 20 0 GCADRP CCN(CC)S(=O)(=O)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000530579215 530153682 /nfs/dbraw/zinc/15/36/82/530153682.db2.gz YUTVNZWWFFITAO-MRXNPFEDSA-N 2 0 376.567 0.533 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323553 530141616 /nfs/dbraw/zinc/14/16/16/530141616.db2.gz HKFRDNWIZPRUQF-ZDUSSCGKSA-N 2 0 388.921 0.664 20 0 GCADRP C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000269064605 530235002 /nfs/dbraw/zinc/23/50/02/530235002.db2.gz YQWIYXKIYKMPGS-CQSZACIVSA-N 2 0 391.559 0.612 20 0 GCADRP C[C@@H](CCN(C)C)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580305660 530353845 /nfs/dbraw/zinc/35/38/45/530353845.db2.gz OSZPQHUJZJOQKL-AWEZNQCLSA-N 2 0 391.559 0.640 20 0 GCADRP COC(=O)c1cc(OC)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000531380579 530453584 /nfs/dbraw/zinc/45/35/84/530453584.db2.gz NZXFQROVXDVPFZ-UHFFFAOYSA-N 2 0 393.531 0.657 20 0 GCADRP Cc1nn2cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc2c1Cl ZINC000534306081 530523210 /nfs/dbraw/zinc/52/32/10/530523210.db2.gz DXZSIRJMHOFJFH-UHFFFAOYSA-N 2 0 388.925 0.805 20 0 GCADRP CC(C)C[C@H](NS(=O)(=O)CCC[NH+](C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000641600840 530759690 /nfs/dbraw/zinc/75/96/90/530759690.db2.gz UFPPZHFQPHOVGI-HOTGVXAUSA-N 2 0 376.567 0.435 20 0 GCADRP CCN(CC[NH3+])C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000627314807 530840250 /nfs/dbraw/zinc/84/02/50/530840250.db2.gz NSJVXTKPAFHOHP-UHFFFAOYSA-N 2 0 382.262 0.829 20 0 GCADRP CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1F ZINC000420449943 530967931 /nfs/dbraw/zinc/96/79/31/530967931.db2.gz GRUYIYIHKRRTSL-UHFFFAOYSA-N 2 0 396.510 0.276 20 0 GCADRP CN(CCNC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000438363839 531153881 /nfs/dbraw/zinc/15/38/81/531153881.db2.gz MBRUIYHZXSVBOQ-GJZGRUSLSA-N 2 0 388.603 0.436 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738065863 598464133 /nfs/dbraw/zinc/46/41/33/598464133.db2.gz LDRUSEXXPGHGSQ-UHFFFAOYSA-N 2 0 393.455 0.599 20 0 GCADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736568815 598521683 /nfs/dbraw/zinc/52/16/83/598521683.db2.gz NOKOLWIJMPRYFG-HNNXBMFYSA-N 2 0 388.524 0.112 20 0 GCADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)CC1 ZINC000736852976 599491029 /nfs/dbraw/zinc/49/10/29/599491029.db2.gz UQNXPXPEFNHURR-HNNXBMFYSA-N 2 0 381.488 0.773 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823190808 606265935 /nfs/dbraw/zinc/26/59/35/606265935.db2.gz FPKATYSSLPEOLJ-UHFFFAOYSA-N 2 0 381.444 0.532 20 0 GCADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826073280 608020236 /nfs/dbraw/zinc/02/02/36/608020236.db2.gz MNUVCSGYLMDHMZ-SRVKXCTJSA-N 2 0 375.481 0.942 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826436833 609206070 /nfs/dbraw/zinc/20/60/70/609206070.db2.gz LCQWUHYOZWXVIV-UHFFFAOYSA-N 2 0 381.444 0.532 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)CS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000926748227 638585523 /nfs/dbraw/zinc/58/55/23/638585523.db2.gz MHWMFDFUSFNPAA-HUUCEWRRSA-N 2 0 376.567 0.438 20 0 GCADRP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000788070613 640021815 /nfs/dbraw/zinc/02/18/15/640021815.db2.gz IWHIMRKPQXWOPS-CYBMUJFWSA-N 2 0 378.926 0.872 20 0 GCADRP COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000867588608 641359355 /nfs/dbraw/zinc/35/93/55/641359355.db2.gz FUXRRBJWLCPAFE-CHWSQXEVSA-N 2 0 389.543 0.895 20 0 GCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H]1C[NH+](C)C ZINC000867589836 641359839 /nfs/dbraw/zinc/35/98/39/641359839.db2.gz LLHCGGHQEVKVDJ-CHWSQXEVSA-N 2 0 379.477 0.508 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCC2SCCS2)C[C@H]1C[NH+](C)C ZINC000867675663 641367804 /nfs/dbraw/zinc/36/78/04/641367804.db2.gz JCPWXSJJDTVPHP-ZIAGYGMSSA-N 2 0 388.603 0.497 20 0 GCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000872234812 641465587 /nfs/dbraw/zinc/46/55/87/641465587.db2.gz IMERSKAVBLORNK-KGLIPLIRSA-N 2 0 384.318 0.951 20 0 GCADRP CCC[C@H](C(=O)OCC)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000882471110 641720896 /nfs/dbraw/zinc/72/08/96/641720896.db2.gz JEVLANAWFZZQEK-BZUAXINKSA-N 2 0 377.551 0.719 20 0 GCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000886897659 641850958 /nfs/dbraw/zinc/85/09/58/641850958.db2.gz DZOKCOZHPPWTPT-CYBMUJFWSA-N 2 0 379.477 0.585 20 0 GCADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000925792111 641917414 /nfs/dbraw/zinc/91/74/14/641917414.db2.gz SYAPOMFWAKCIAT-IPYPFGDCSA-N 2 0 389.543 0.918 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000662960283 1192171149 /nfs/dbraw/zinc/17/11/49/1192171149.db2.gz PPHJGOOJZPIGCL-MOPGFXCFSA-N 2 0 388.512 0.338 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000662965012 1192172018 /nfs/dbraw/zinc/17/20/18/1192172018.db2.gz BVLUKAIJIPSKLD-AQNXPRMDSA-N 2 0 384.524 0.972 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)CC1 ZINC000662982242 1192175969 /nfs/dbraw/zinc/17/59/69/1192175969.db2.gz CVHDWXSFZNCTTQ-MJGOQNOKSA-N 2 0 393.576 0.589 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000662983802 1192176580 /nfs/dbraw/zinc/17/65/80/1192176580.db2.gz MHHHMDKPFVKBLA-OWSLCNJRSA-N 2 0 379.549 0.057 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000661986439 1192212105 /nfs/dbraw/zinc/21/21/05/1192212105.db2.gz HELOOYPAMZKUON-MJGOQNOKSA-N 2 0 380.533 0.994 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652461345 1192228327 /nfs/dbraw/zinc/22/83/27/1192228327.db2.gz XZQIRBPSCOCUNI-KRWDZBQOSA-N 2 0 380.533 0.642 20 0 GCADRP O=C(NCC[NH+]1CCCCC1)[C@H]1CC[C@H](C(=O)NCC[NH+]2CCCCC2)O1 ZINC000188260805 1192256057 /nfs/dbraw/zinc/25/60/57/1192256057.db2.gz VXOMIMJAZFMZGV-QZTJIDSGSA-N 2 0 380.533 0.738 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2)CC1 ZINC000652628682 1192259997 /nfs/dbraw/zinc/25/99/97/1192259997.db2.gz JLVLKAHKIFIINJ-AVRDEDQJSA-N 2 0 399.539 0.960 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)C2)CC1 ZINC000511968691 1192281157 /nfs/dbraw/zinc/28/11/57/1192281157.db2.gz AZAUNQKCYXVJLJ-XBMUEBEBSA-N 2 0 391.560 0.358 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000662384828 1192287860 /nfs/dbraw/zinc/28/78/60/1192287860.db2.gz XQJBVQZULUXBAT-UHFFFAOYSA-N 2 0 385.516 0.877 20 0 GCADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401871 1192288277 /nfs/dbraw/zinc/28/82/77/1192288277.db2.gz RUDNXUMRMFIYSE-HNNXBMFYSA-N 2 0 375.473 0.426 20 0 GCADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001719838296 1192323359 /nfs/dbraw/zinc/32/33/59/1192323359.db2.gz SBYLKQOTBWFXDP-BDXSIMOUSA-N 2 0 380.533 0.687 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663514540 1192371669 /nfs/dbraw/zinc/37/16/69/1192371669.db2.gz ZQCHZTLCZUKJFF-IAGOWNOFSA-N 3 0 389.548 0.196 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663514541 1192372000 /nfs/dbraw/zinc/37/20/00/1192372000.db2.gz ZQCHZTLCZUKJFF-IRXDYDNUSA-N 3 0 389.548 0.196 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000643539459 1192384543 /nfs/dbraw/zinc/38/45/43/1192384543.db2.gz HCBXBLDMBNAOER-FUHWJXTLSA-N 2 0 380.533 0.676 20 0 GCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663558328 1192388150 /nfs/dbraw/zinc/38/81/50/1192388150.db2.gz OYRWOBHIQCBUKS-SFHVURJKSA-N 2 0 381.565 0.909 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652672266 1192418070 /nfs/dbraw/zinc/41/80/70/1192418070.db2.gz DDIOOSADMVFQIH-OWSLCNJRSA-N 2 0 380.533 0.579 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC(=O)N(CC2CC2)C1 ZINC000279045726 1192445803 /nfs/dbraw/zinc/44/58/03/1192445803.db2.gz XNZAMRHCCCLIAL-UHFFFAOYSA-N 2 0 386.500 0.815 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000637220122 1192449792 /nfs/dbraw/zinc/44/97/92/1192449792.db2.gz HIOFAJUGWMPQSV-HSALFYBXSA-N 2 0 390.528 0.889 20 0 GCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000433463785 1192486615 /nfs/dbraw/zinc/48/66/15/1192486615.db2.gz AMQWYBLDBJPWBP-SBHAEUEKSA-N 2 0 382.593 0.947 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652678153 1192487436 /nfs/dbraw/zinc/48/74/36/1192487436.db2.gz VURMKTDJIPQZNS-HCXYKTFWSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652682191 1192522539 /nfs/dbraw/zinc/52/25/39/1192522539.db2.gz DFFRCDKEUCVMEZ-XMTFNYHQSA-N 2 0 380.533 0.722 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000509735511 1192530989 /nfs/dbraw/zinc/53/09/89/1192530989.db2.gz GDMMVFVYGFKGQB-FUHWJXTLSA-N 2 0 380.533 0.546 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878444 1192563422 /nfs/dbraw/zinc/56/34/22/1192563422.db2.gz SJISUTZCRUVKMF-AWEZNQCLSA-N 3 0 394.520 0.862 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418609355 1192618241 /nfs/dbraw/zinc/61/82/41/1192618241.db2.gz FKPCBSNSUWCQBG-XHSDSOJGSA-N 2 0 385.434 0.877 20 0 GCADRP COC[C@]1(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646890 1192623543 /nfs/dbraw/zinc/62/35/43/1192623543.db2.gz XKPGNBJJHSBEPP-UXHICEINSA-N 2 0 376.501 0.691 20 0 GCADRP COC[C@@]1(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646891 1192623683 /nfs/dbraw/zinc/62/36/83/1192623683.db2.gz XKPGNBJJHSBEPP-VQTJNVASSA-N 2 0 376.501 0.691 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500474297 1192624353 /nfs/dbraw/zinc/62/43/53/1192624353.db2.gz SFJOFQLWYOLTEA-ROUUACIJSA-N 2 0 393.576 0.604 20 0 GCADRP COC[C@]1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CCC[NH2+]1 ZINC000418659215 1192624756 /nfs/dbraw/zinc/62/47/56/1192624756.db2.gz VLKYISODXBBWOD-SFHLNBCPSA-N 2 0 390.528 0.937 20 0 GCADRP COC[C@]1(CNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000418652716 1192625574 /nfs/dbraw/zinc/62/55/74/1192625574.db2.gz JEQZWNSCJXCNID-CMKODMSKSA-N 2 0 376.501 0.690 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000418671595 1192627846 /nfs/dbraw/zinc/62/78/46/1192627846.db2.gz LFWGWWVRUWYJCM-CTWPCTMYSA-N 2 0 381.565 0.595 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418668279 1192629018 /nfs/dbraw/zinc/62/90/18/1192629018.db2.gz NYFKZENBJXFXGD-MJGOQNOKSA-N 2 0 397.564 0.633 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418760186 1192640770 /nfs/dbraw/zinc/64/07/70/1192640770.db2.gz GYNZAEZTGVOMKH-KSZLIROESA-N 2 0 375.517 0.702 20 0 GCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000418787696 1192644126 /nfs/dbraw/zinc/64/41/26/1192644126.db2.gz UQERXVRHRJWDBR-GOSISDBHSA-N 2 0 387.528 0.655 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000418782338 1192644664 /nfs/dbraw/zinc/64/46/64/1192644664.db2.gz NHLGTCREZKJKBO-MJGOQNOKSA-N 2 0 387.528 0.511 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418795323 1192646898 /nfs/dbraw/zinc/64/68/98/1192646898.db2.gz CKXHBPZUXCUXQX-QGZVFWFLSA-N 2 0 382.549 0.875 20 0 GCADRP COC(=O)[C@@H](CCC[NH3+])Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001167901777 1192647088 /nfs/dbraw/zinc/64/70/88/1192647088.db2.gz UXUHELUHNYQSFZ-MRXNPFEDSA-N 2 0 384.502 0.409 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418798096 1192647583 /nfs/dbraw/zinc/64/75/83/1192647583.db2.gz GVENUDMITSDQAF-SFHVURJKSA-N 2 0 394.560 0.986 20 0 GCADRP CCCN(C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000418802273 1192648573 /nfs/dbraw/zinc/64/85/73/1192648573.db2.gz JXRNVZVNYQXZEV-GOSISDBHSA-N 2 0 394.560 0.986 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418802886 1192648910 /nfs/dbraw/zinc/64/89/10/1192648910.db2.gz KQSAOANAQKNHFW-DLBZAZTESA-N 2 0 380.533 0.594 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CCCC1 ZINC000418807290 1192649858 /nfs/dbraw/zinc/64/98/58/1192649858.db2.gz PRZOVQBVYFKVIK-ZWKOTPCHSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418813515 1192653411 /nfs/dbraw/zinc/65/34/11/1192653411.db2.gz YJOWRPAMHMXLLO-DLBZAZTESA-N 2 0 380.533 0.642 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000418824914 1192656520 /nfs/dbraw/zinc/65/65/20/1192656520.db2.gz DOSPHJJEYKWVEH-OALUTQOASA-N 2 0 390.528 0.835 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)[NH+](C)C)cc1OC ZINC000418828788 1192658097 /nfs/dbraw/zinc/65/80/97/1192658097.db2.gz ICKFOVMQTYMDHC-KBMXLJTQSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[NH+](C)C)cc1OC ZINC000418836571 1192658313 /nfs/dbraw/zinc/65/83/13/1192658313.db2.gz RNFZWIDDFFZABL-CABCVRRESA-N 2 0 378.473 0.291 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418831003 1192658621 /nfs/dbraw/zinc/65/86/21/1192658621.db2.gz YEJSLGWLHWSQKN-KSZLIROESA-N 2 0 376.501 0.679 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418831014 1192658760 /nfs/dbraw/zinc/65/87/60/1192658760.db2.gz YEJSLGWLHWSQKN-RCCFBDPRSA-N 2 0 376.501 0.679 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418837916 1192658827 /nfs/dbraw/zinc/65/88/27/1192658827.db2.gz BNRVFECPQBRBNW-SFHVURJKSA-N 2 0 387.528 0.036 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[NH+](C)C)cc1OC ZINC000418832193 1192659299 /nfs/dbraw/zinc/65/92/99/1192659299.db2.gz LUVZSCUUXOVDIN-GJZGRUSLSA-N 2 0 378.473 0.276 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[NH+](C)C)cc1OC ZINC000418832192 1192659672 /nfs/dbraw/zinc/65/96/72/1192659672.db2.gz LUVZSCUUXOVDIN-CABCVRRESA-N 2 0 378.473 0.276 20 0 GCADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418837241 1192661570 /nfs/dbraw/zinc/66/15/70/1192661570.db2.gz AAXAETADWDVFQX-CABCVRRESA-N 2 0 380.514 0.496 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)cc1OC ZINC000418837632 1192662109 /nfs/dbraw/zinc/66/21/09/1192662109.db2.gz TVGAEGXTZHXNOY-XHSDSOJGSA-N 2 0 390.484 0.101 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418841254 1192662472 /nfs/dbraw/zinc/66/24/72/1192662472.db2.gz ABDJLDGEOFWUCU-YJBOKZPZSA-N 2 0 376.501 0.920 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[NH+](C)C)cc1OC ZINC000418841986 1192663175 /nfs/dbraw/zinc/66/31/75/1192663175.db2.gz ZKQVKTKVDOSVQB-LZWOXQAQSA-N 2 0 392.500 0.632 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418841967 1192663385 /nfs/dbraw/zinc/66/33/85/1192663385.db2.gz ZKAOYJFUABWBSH-GOEBONIOSA-N 2 0 392.500 0.539 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[NH+](C)C)c1 ZINC000418847293 1192664970 /nfs/dbraw/zinc/66/49/70/1192664970.db2.gz HTIYHSWHYVOLQN-NQYYFHDYSA-N 2 0 388.512 1.000 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418847530 1192666835 /nfs/dbraw/zinc/66/68/35/1192666835.db2.gz JMAHPFLDYVGLLG-KZNAEPCWSA-N 2 0 376.501 0.240 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418847531 1192667067 /nfs/dbraw/zinc/66/70/67/1192667067.db2.gz JMAHPFLDYVGLLG-OKZBNKHCSA-N 2 0 376.501 0.240 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000418849287 1192667801 /nfs/dbraw/zinc/66/78/01/1192667801.db2.gz MLGQLXFILTVNJY-DOTOQJQBSA-N 2 0 376.501 0.920 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCCC1 ZINC000418857332 1192668097 /nfs/dbraw/zinc/66/80/97/1192668097.db2.gz YVJKPONRVGLJSW-SFHVURJKSA-N 2 0 386.496 0.984 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)[NH+](C)C)c1 ZINC000418858104 1192668689 /nfs/dbraw/zinc/66/86/89/1192668689.db2.gz IMXWAQRGRTUUTF-LESCRADOSA-N 2 0 376.501 1.000 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418863289 1192671743 /nfs/dbraw/zinc/67/17/43/1192671743.db2.gz PGLDNOPIQWIOJG-LESCRADOSA-N 2 0 376.501 0.918 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418865346 1192672077 /nfs/dbraw/zinc/67/20/77/1192672077.db2.gz RMZVOTIRFIHKQW-JOCHJYFZSA-N 2 0 399.539 0.132 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418863785 1192672131 /nfs/dbraw/zinc/67/21/31/1192672131.db2.gz PTRRNFBKCRBRED-PKOBYXMFSA-N 2 0 387.528 0.116 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418863765 1192672146 /nfs/dbraw/zinc/67/21/46/1192672146.db2.gz PTIHIFQXRLMNQS-MSOLQXFVSA-N 2 0 376.501 0.544 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[NH+](C)C)c1 ZINC000418863744 1192672181 /nfs/dbraw/zinc/67/21/81/1192672181.db2.gz PSOKFEKKTHYEGH-NTDBWNAOSA-N 2 0 388.512 0.918 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[NH+](C)C)c1 ZINC000418863738 1192672466 /nfs/dbraw/zinc/67/24/66/1192672466.db2.gz PSOKFEKKTHYEGH-BMFAXAFESA-N 2 0 388.512 0.918 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCCO1 ZINC000418883609 1192679549 /nfs/dbraw/zinc/67/95/49/1192679549.db2.gz VGZZCEPLNQWPLB-SJLPKXTDSA-N 2 0 380.533 0.594 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)c1 ZINC000418882301 1192678065 /nfs/dbraw/zinc/67/80/65/1192678065.db2.gz YQJHXMJIXDVBID-MSOLQXFVSA-N 2 0 390.484 0.053 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCCO1 ZINC000418879608 1192678096 /nfs/dbraw/zinc/67/80/96/1192678096.db2.gz NIFRGLRJXRGYEG-SFHVURJKSA-N 2 0 390.528 0.981 20 0 GCADRP [NH3+][C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000418883290 1192678484 /nfs/dbraw/zinc/67/84/84/1192678484.db2.gz USGHOURRECCZDA-PMACEKPBSA-N 2 0 396.491 0.686 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H]1C[NH3+] ZINC000418878616 1192674856 /nfs/dbraw/zinc/67/48/56/1192674856.db2.gz LQSZAUYDXBPFJB-MNEFBYGVSA-N 2 0 388.512 0.455 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000418880326 1192675263 /nfs/dbraw/zinc/67/52/63/1192675263.db2.gz VHJBKPKAKHOPEA-QZTJIDSGSA-N 2 0 390.484 0.134 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000418929357 1192694012 /nfs/dbraw/zinc/69/40/12/1192694012.db2.gz FDCBMUBVHHWMJX-RBUKOAKNSA-N 2 0 388.512 0.762 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000418937412 1192694660 /nfs/dbraw/zinc/69/46/60/1192694660.db2.gz LCYXLNWRKLGSPY-RBUKOAKNSA-N 2 0 388.512 0.680 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000418937411 1192694726 /nfs/dbraw/zinc/69/47/26/1192694726.db2.gz LCYXLNWRKLGSPY-OALUTQOASA-N 2 0 388.512 0.680 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)ccn1 ZINC000418947657 1192699188 /nfs/dbraw/zinc/69/91/88/1192699188.db2.gz BEYDUEREEPYAMN-QGZVFWFLSA-N 2 0 391.516 0.662 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000418948848 1192699344 /nfs/dbraw/zinc/69/93/44/1192699344.db2.gz OVUKFKYSXABQLV-HLLBOEOZSA-N 2 0 376.501 0.852 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]1C[NH3+] ZINC000418954570 1192700959 /nfs/dbraw/zinc/70/09/59/1192700959.db2.gz OILJLAYZIMNVAD-DDBAPUKQSA-N 2 0 380.533 0.456 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418959480 1192702647 /nfs/dbraw/zinc/70/26/47/1192702647.db2.gz ZZXGJTXPGOOWSV-OWLYRPNTSA-N 2 0 380.533 0.504 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)[NH2+]1 ZINC000418962602 1192703138 /nfs/dbraw/zinc/70/31/38/1192703138.db2.gz KUBIPDKGMGTPAV-IRXDYDNUSA-N 2 0 388.512 0.986 20 0 GCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418968804 1192705523 /nfs/dbraw/zinc/70/55/23/1192705523.db2.gz UUTQMZKVWPCZEG-GOSISDBHSA-N 2 0 388.512 0.893 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418966798 1192705205 /nfs/dbraw/zinc/70/52/05/1192705205.db2.gz QYAUWHFCUVQZHA-GOSISDBHSA-N 2 0 388.512 0.988 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652686938 1192714762 /nfs/dbraw/zinc/71/47/62/1192714762.db2.gz RKTXAWVEXRJQNA-WNRNVDISSA-N 2 0 380.533 0.722 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652686935 1192714836 /nfs/dbraw/zinc/71/48/36/1192714836.db2.gz RKTXAWVEXRJQNA-BSDSXHPESA-N 2 0 380.533 0.722 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000419008230 1192715464 /nfs/dbraw/zinc/71/54/64/1192715464.db2.gz VHWXVTMRMKABSJ-QZTJIDSGSA-N 2 0 380.533 0.724 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000419013270 1192718740 /nfs/dbraw/zinc/71/87/40/1192718740.db2.gz ATKKKCLUNJVNTJ-QZTJIDSGSA-N 2 0 376.501 0.719 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419020418 1192721953 /nfs/dbraw/zinc/72/19/53/1192721953.db2.gz FSRXAIGBVHUXRO-INMHGKMJSA-N 2 0 391.520 0.137 20 0 GCADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000419021045 1192726108 /nfs/dbraw/zinc/72/61/08/1192726108.db2.gz AQIIQMVMXXJUGO-ROUUACIJSA-N 2 0 375.517 0.288 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419021271 1192726205 /nfs/dbraw/zinc/72/62/05/1192726205.db2.gz GQLQTFBTHVXCDU-UKBAYJJMSA-N 2 0 394.560 0.968 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419025635 1192728223 /nfs/dbraw/zinc/72/82/23/1192728223.db2.gz MLULUPOHFXPVNS-QBPKDAKJSA-N 2 0 382.549 0.824 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419034622 1192733682 /nfs/dbraw/zinc/73/36/82/1192733682.db2.gz FXBJCNJGNBVPNU-RBUKOAKNSA-N 2 0 383.496 0.318 20 0 GCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419039297 1192736547 /nfs/dbraw/zinc/73/65/47/1192736547.db2.gz UVYXLZBROLWHNS-UHFFFAOYSA-N 2 0 380.558 0.890 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@@H](C)C1 ZINC000419044190 1192737975 /nfs/dbraw/zinc/73/79/75/1192737975.db2.gz SOJFLIADKWCUIQ-YVSFHVDLSA-N 2 0 398.548 0.469 20 0 GCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419040834 1192739056 /nfs/dbraw/zinc/73/90/56/1192739056.db2.gz XHSDXTMQNIWZQX-INIZCTEOSA-N 2 0 382.574 0.970 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419044846 1192742144 /nfs/dbraw/zinc/74/21/44/1192742144.db2.gz MNKJGHDUANZYAU-OQIJWPOYSA-N 2 0 388.512 0.903 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419044844 1192742249 /nfs/dbraw/zinc/74/22/49/1192742249.db2.gz MNKJGHDUANZYAU-JCHJZTRSSA-N 2 0 388.512 0.903 20 0 GCADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419046960 1192744044 /nfs/dbraw/zinc/74/40/44/1192744044.db2.gz XCLFTHKALKYPPY-UHFFFAOYSA-N 2 0 388.512 0.606 20 0 GCADRP COCC[C@H](C)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419056724 1192750453 /nfs/dbraw/zinc/75/04/53/1192750453.db2.gz RUXADVKZQAFPEH-KRWDZBQOSA-N 2 0 390.528 0.885 20 0 GCADRP COCC[C@@H](C)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419056725 1192750724 /nfs/dbraw/zinc/75/07/24/1192750724.db2.gz RUXADVKZQAFPEH-QGZVFWFLSA-N 2 0 390.528 0.885 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410615584 1192758140 /nfs/dbraw/zinc/75/81/40/1192758140.db2.gz PZBRRGSZHUOMHE-GUDVDZBRSA-N 2 0 392.544 0.642 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419064364 1192758686 /nfs/dbraw/zinc/75/86/86/1192758686.db2.gz CEPIZNNZDNLQLA-UHFFFAOYSA-N 2 0 387.528 0.036 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000419070486 1192766393 /nfs/dbraw/zinc/76/63/93/1192766393.db2.gz HIWCVHRWGMAZFQ-ZIFCJYIRSA-N 2 0 388.512 0.872 20 0 GCADRP [NH3+]C1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000419098902 1192785949 /nfs/dbraw/zinc/78/59/49/1192785949.db2.gz CTUWEHSLUIPWBV-UHFFFAOYSA-N 2 0 388.512 0.770 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419102343 1192786161 /nfs/dbraw/zinc/78/61/61/1192786161.db2.gz FBFUBGSOTUHEIW-WBMJQRKESA-N 2 0 380.464 0.733 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000500783979 1192787423 /nfs/dbraw/zinc/78/74/23/1192787423.db2.gz XPCZGIAZBQDXKQ-SJORKVTESA-N 2 0 380.533 0.471 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419120234 1192793834 /nfs/dbraw/zinc/79/38/34/1192793834.db2.gz TWWGAPNEOVFUDQ-UHFFFAOYSA-N 2 0 376.505 0.083 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CC[NH+](C)CC1 ZINC000419128209 1192797806 /nfs/dbraw/zinc/79/78/06/1192797806.db2.gz VOISWTBVNUCVOG-MOPGFXCFSA-N 2 0 393.576 0.365 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000419128391 1192798728 /nfs/dbraw/zinc/79/87/28/1192798728.db2.gz ARTMPSGUMRLNTL-LJQANCHMSA-N 2 0 388.512 0.877 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CC[NH+](C)CC1 ZINC000419129939 1192804816 /nfs/dbraw/zinc/80/48/16/1192804816.db2.gz YZTRBHSISTVFDW-SFHVURJKSA-N 2 0 393.576 0.367 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419137203 1192809069 /nfs/dbraw/zinc/80/90/69/1192809069.db2.gz QHDFNWADXBDSLL-GBESFXJTSA-N 2 0 388.512 0.732 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000669274546 1192812573 /nfs/dbraw/zinc/81/25/73/1192812573.db2.gz RGSPBSIXQHMYJX-BZSNNMDCSA-N 2 0 380.533 0.471 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000419140058 1192812702 /nfs/dbraw/zinc/81/27/02/1192812702.db2.gz VKBLMIBFVVRVIJ-MRXNPFEDSA-N 2 0 390.528 0.995 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000419156662 1192815729 /nfs/dbraw/zinc/81/57/29/1192815729.db2.gz JTGABDFLVYJQEX-DOTOQJQBSA-N 2 0 388.516 0.035 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419155678 1192816041 /nfs/dbraw/zinc/81/60/41/1192816041.db2.gz UFNXGCXUKBPQMQ-XUWXXGDYSA-N 2 0 392.450 0.879 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000419157348 1192816090 /nfs/dbraw/zinc/81/60/90/1192816090.db2.gz WLVMIBAMRQYJLG-HNNXBMFYSA-N 2 0 380.514 0.262 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)[C@@H]1C[NH3+] ZINC000419156833 1192816534 /nfs/dbraw/zinc/81/65/34/1192816534.db2.gz VTLBLZNDMWYEDX-DOTOQJQBSA-N 2 0 376.501 0.829 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419163553 1192820859 /nfs/dbraw/zinc/82/08/59/1192820859.db2.gz LOYOQKAMEKYVFG-RBUKOAKNSA-N 2 0 390.528 0.754 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419166095 1192822222 /nfs/dbraw/zinc/82/22/22/1192822222.db2.gz OHUVUJNAZJZLEN-GOSISDBHSA-N 2 0 376.501 0.462 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419164863 1192822830 /nfs/dbraw/zinc/82/28/30/1192822830.db2.gz ZOWPBFGWGVVGRK-MOPGFXCFSA-N 2 0 388.512 0.824 20 0 GCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168045 1192823437 /nfs/dbraw/zinc/82/34/37/1192823437.db2.gz ROMUSGQSJPSVRE-IBGZPJMESA-N 2 0 386.496 0.430 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000419153767 1192823543 /nfs/dbraw/zinc/82/35/43/1192823543.db2.gz QHUBVASZYXBLMO-MNEFBYGVSA-N 2 0 386.496 0.610 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419169672 1192824867 /nfs/dbraw/zinc/82/48/67/1192824867.db2.gz VALZIDQFFPTVHT-ZWKOTPCHSA-N 2 0 376.501 0.493 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419156032 1192824889 /nfs/dbraw/zinc/82/48/89/1192824889.db2.gz BRGPQQCOOFVHKN-RTBURBONSA-N 2 0 390.528 0.835 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168825 1192830451 /nfs/dbraw/zinc/83/04/51/1192830451.db2.gz TUOMQLXVEAAEHJ-NZSAHSFTSA-N 2 0 388.512 0.589 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCCn2cccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000419191608 1192830963 /nfs/dbraw/zinc/83/09/63/1192830963.db2.gz OHCRJKCGQPLSSJ-UHFFFAOYSA-N 2 0 398.511 0.499 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1(C)C ZINC000419191229 1192831072 /nfs/dbraw/zinc/83/10/72/1192831072.db2.gz WEPXAESEOMRYPW-ZWKOTPCHSA-N 2 0 387.528 0.082 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419196003 1192832596 /nfs/dbraw/zinc/83/25/96/1192832596.db2.gz AEFWIUKVPMTHDX-APWZRJJASA-N 2 0 388.512 0.782 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000419194787 1192833055 /nfs/dbraw/zinc/83/30/55/1192833055.db2.gz UEBJMAJARUQCEF-QFBILLFUSA-N 2 0 388.512 0.782 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419180804 1192834716 /nfs/dbraw/zinc/83/47/16/1192834716.db2.gz APNVHSRCWCOUFY-RBUKOAKNSA-N 2 0 387.528 0.082 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419197165 1192836990 /nfs/dbraw/zinc/83/69/90/1192836990.db2.gz XSOJDGXLBFSLAH-LPHOPBHVSA-N 2 0 388.512 0.863 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419198845 1192838944 /nfs/dbraw/zinc/83/89/44/1192838944.db2.gz CXXMLZLLEVZSCQ-APWZRJJASA-N 2 0 388.512 0.863 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419198851 1192838973 /nfs/dbraw/zinc/83/89/73/1192838973.db2.gz CXXMLZLLEVZSCQ-QFBILLFUSA-N 2 0 388.512 0.863 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000419203107 1192840092 /nfs/dbraw/zinc/84/00/92/1192840092.db2.gz HLYSOXJUYQMOJB-WBVHZDCISA-N 2 0 376.501 0.687 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000419202970 1192843618 /nfs/dbraw/zinc/84/36/18/1192843618.db2.gz HERZSUFPIFHAGO-SFHVURJKSA-N 2 0 376.501 0.877 20 0 GCADRP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+](C)CC1 ZINC000893740868 1192847170 /nfs/dbraw/zinc/84/71/70/1192847170.db2.gz MHPIDIATJWGCES-MOPGFXCFSA-N 2 0 381.565 0.643 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419209349 1192888717 /nfs/dbraw/zinc/88/87/17/1192888717.db2.gz PEDCIJPYQYVQGX-IPMKNSEASA-N 2 0 388.512 0.732 20 0 GCADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419210989 1192898120 /nfs/dbraw/zinc/89/81/20/1192898120.db2.gz WIIBMHYBVMPHRJ-LJQANCHMSA-N 2 0 388.512 0.783 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCO1 ZINC000419212038 1192902099 /nfs/dbraw/zinc/90/20/99/1192902099.db2.gz YWWQWMIUNFTCJW-IBGZPJMESA-N 2 0 388.512 0.865 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCO1 ZINC000419212040 1192902313 /nfs/dbraw/zinc/90/23/13/1192902313.db2.gz YWWQWMIUNFTCJW-LJQANCHMSA-N 2 0 388.512 0.865 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000419213105 1192902662 /nfs/dbraw/zinc/90/26/62/1192902662.db2.gz KZICNFJLUBTZPC-KZNAEPCWSA-N 2 0 388.512 0.748 20 0 GCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000410806299 1192904623 /nfs/dbraw/zinc/90/46/23/1192904623.db2.gz DIBOJSQBTIKCRM-UHFFFAOYSA-N 2 0 377.489 0.539 20 0 GCADRP C[C@H](NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000419214465 1192904917 /nfs/dbraw/zinc/90/49/17/1192904917.db2.gz MPGJAZJJDKLLGF-RDJZCZTQSA-N 2 0 376.501 0.748 20 0 GCADRP C[NH+]1C[C@H]2CN(C(=O)c3cccc(C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)c3N)C[C@H]2C1 ZINC000614125223 1192911182 /nfs/dbraw/zinc/91/11/82/1192911182.db2.gz UHAOKANOUDJEKQ-WNKDZCFJSA-N 2 0 397.523 0.536 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000419216447 1192914769 /nfs/dbraw/zinc/91/47/69/1192914769.db2.gz POQNLHTWZIEOLK-HXUWFJFHSA-N 2 0 376.501 0.749 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000410912264 1192914779 /nfs/dbraw/zinc/91/47/79/1192914779.db2.gz UDRUXNNISQMGMC-UHFFFAOYSA-N 2 0 382.549 0.748 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)C[C@@H](C)O1 ZINC000419214986 1192915023 /nfs/dbraw/zinc/91/50/23/1192915023.db2.gz NNGIXTQZNCBNHI-MDZRGWNJSA-N 2 0 388.512 0.719 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC[NH2+]1 ZINC000419218199 1192918235 /nfs/dbraw/zinc/91/82/35/1192918235.db2.gz RUJBDPZYWVJMNK-BRWVUGGUSA-N 2 0 388.512 0.732 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419220695 1192920610 /nfs/dbraw/zinc/92/06/10/1192920610.db2.gz VIYDDWXGKDFLDV-ZACQAIPSSA-N 2 0 390.528 0.884 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419220694 1192920750 /nfs/dbraw/zinc/92/07/50/1192920750.db2.gz VIYDDWXGKDFLDV-YESZJQIVSA-N 2 0 390.528 0.884 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419220202 1192920992 /nfs/dbraw/zinc/92/09/92/1192920992.db2.gz UWUKBAGPTSSGEI-IYBDPMFKSA-N 2 0 376.501 0.638 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000419221143 1192922156 /nfs/dbraw/zinc/92/21/56/1192922156.db2.gz VTNULNGVOHPPKA-HOTGVXAUSA-N 2 0 388.512 0.862 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC(O)(CO)CC1 ZINC000663880361 1192919037 /nfs/dbraw/zinc/91/90/37/1192919037.db2.gz ZWTRNCATAHMGHE-UHFFFAOYSA-N 2 0 377.489 0.123 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C[NH3+] ZINC000419221942 1192924275 /nfs/dbraw/zinc/92/42/75/1192924275.db2.gz WKBABAGSGCLHLH-QAPCUYQASA-N 2 0 376.501 0.829 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410993229 1192924715 /nfs/dbraw/zinc/92/47/15/1192924715.db2.gz YMPKUNCFEQDUAT-HKUYNNGSSA-N 2 0 394.560 0.888 20 0 GCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643541170 1184096241 /nfs/dbraw/zinc/09/62/41/1184096241.db2.gz PHHJNHJEHUZOLN-UONOGXRCSA-N 2 0 396.454 0.684 20 0 GCADRP C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000579715753 1184103868 /nfs/dbraw/zinc/10/38/68/1184103868.db2.gz DCRKLJXVCRSFQN-QGZVFWFLSA-N 2 0 390.528 0.309 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654727294 1184105152 /nfs/dbraw/zinc/10/51/52/1184105152.db2.gz JKYCODDMABSXNV-ROUUACIJSA-N 2 0 377.533 0.953 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC000654730176 1184109481 /nfs/dbraw/zinc/10/94/81/1184109481.db2.gz MNONUMVAQYVSNR-OKZBNKHCSA-N 2 0 377.533 0.951 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NCCC[NH+]1CCN(C)C[C@H]1c1ccccc1 ZINC000274680767 1184182933 /nfs/dbraw/zinc/18/29/33/1184182933.db2.gz RHCDMVHVCWBFEG-FQEVSTJZSA-N 2 0 391.560 0.979 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000274697953 1184194562 /nfs/dbraw/zinc/19/45/62/1184194562.db2.gz XBRKJQUYIVCCPN-UHFFFAOYSA-N 2 0 377.533 0.812 20 0 GCADRP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000610216376 1184293484 /nfs/dbraw/zinc/29/34/84/1184293484.db2.gz AQIHOVHJEBBXRD-AWEZNQCLSA-N 2 0 395.548 0.779 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000109171288 1184335765 /nfs/dbraw/zinc/33/57/65/1184335765.db2.gz FBAIWYKIRXCSRL-FQEVSTJZSA-N 2 0 395.592 0.937 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000669287964 1184339971 /nfs/dbraw/zinc/33/99/71/1184339971.db2.gz BJCOCGFCQJWFAY-KRWDZBQOSA-N 2 0 382.549 0.981 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000109182172 1184340847 /nfs/dbraw/zinc/34/08/47/1184340847.db2.gz QSVUKBHRYOKTFL-GOSISDBHSA-N 2 0 376.501 0.896 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000109182286 1184340886 /nfs/dbraw/zinc/34/08/86/1184340886.db2.gz ATSZDRFUNIOFMG-IBGZPJMESA-N 2 0 390.528 0.938 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000109182283 1184341544 /nfs/dbraw/zinc/34/15/44/1184341544.db2.gz ATSZDRFUNIOFMG-LJQANCHMSA-N 2 0 390.528 0.938 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000471181805 1184364152 /nfs/dbraw/zinc/36/41/52/1184364152.db2.gz HXRIANAFEMSLBC-INIZCTEOSA-N 2 0 383.537 0.027 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000069269438 1184366701 /nfs/dbraw/zinc/36/67/01/1184366701.db2.gz CZDOTRFGMWZWKN-SFHVURJKSA-N 2 0 394.560 0.748 20 0 GCADRP C[C@@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CC(C)(C)O ZINC000547728476 1184423882 /nfs/dbraw/zinc/42/38/82/1184423882.db2.gz MVUUPZFOWPIASM-UTKZUKDTSA-N 2 0 375.513 0.927 20 0 GCADRP C[C@@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CC(C)(C)O ZINC000547728474 1184424046 /nfs/dbraw/zinc/42/40/46/1184424046.db2.gz MVUUPZFOWPIASM-DYESRHJHSA-N 2 0 375.513 0.927 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@H]2C1 ZINC000579883225 1184499624 /nfs/dbraw/zinc/49/96/24/1184499624.db2.gz VLEUNFVAOGXBBX-YSHGAJCASA-N 2 0 392.544 0.423 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)[C@@H]2C1 ZINC000579883222 1184499705 /nfs/dbraw/zinc/49/97/05/1184499705.db2.gz VLEUNFVAOGXBBX-NXWXRZEISA-N 2 0 392.544 0.423 20 0 GCADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+](C2CC2)C1 ZINC000655557010 1184574367 /nfs/dbraw/zinc/57/43/67/1184574367.db2.gz ATLWMNBHXWWJNO-QZTJIDSGSA-N 2 0 379.549 0.519 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000610250406 1184576688 /nfs/dbraw/zinc/57/66/88/1184576688.db2.gz DHGMNYAAYHTDNL-HXUWFJFHSA-N 2 0 377.577 0.830 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275312904 1184597524 /nfs/dbraw/zinc/59/75/24/1184597524.db2.gz OVOVWWUUGBPAQI-ROUUACIJSA-N 2 0 391.516 0.689 20 0 GCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1(C)C ZINC000275384345 1184646131 /nfs/dbraw/zinc/64/61/31/1184646131.db2.gz AEMSHIXAFASGDT-OXJNMPFZSA-N 2 0 375.517 0.982 20 0 GCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000275407576 1184655817 /nfs/dbraw/zinc/65/58/17/1184655817.db2.gz CLZXFJKKDLPIJO-OXQOHEQNSA-N 2 0 375.517 0.982 20 0 GCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083198210 1184663477 /nfs/dbraw/zinc/66/34/77/1184663477.db2.gz IKMMOEFPIARVRO-ZAWLATJESA-N 2 0 384.484 0.411 20 0 GCADRP CC(C)CNC(=O)C1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000890898322 1184750656 /nfs/dbraw/zinc/75/06/56/1184750656.db2.gz RTSVROKJGCFZIR-LJQANCHMSA-N 2 0 396.576 0.944 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642729092 1184757251 /nfs/dbraw/zinc/75/72/51/1184757251.db2.gz FLHQAHYWIGJBJP-QXAKKESOSA-N 2 0 387.528 0.115 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176261646 1184767656 /nfs/dbraw/zinc/76/76/56/1184767656.db2.gz DEWBOQNVEOWWNG-MSOLQXFVSA-N 2 0 380.533 0.851 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCCO1 ZINC000642733057 1184819250 /nfs/dbraw/zinc/81/92/50/1184819250.db2.gz WRYJCDCXOAGZRC-MOPGFXCFSA-N 2 0 388.512 0.906 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642735289 1184829486 /nfs/dbraw/zinc/82/94/86/1184829486.db2.gz YPBBGNXFJFGGMF-SFHVURJKSA-N 2 0 387.528 0.573 20 0 GCADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000656029238 1184965617 /nfs/dbraw/zinc/96/56/17/1184965617.db2.gz XEPPJEKVWQZLOK-YRXWBPOGSA-N 2 0 392.544 0.864 20 0 GCADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000656029236 1184965656 /nfs/dbraw/zinc/96/56/56/1184965656.db2.gz XEPPJEKVWQZLOK-MKXGPGLRSA-N 2 0 392.544 0.864 20 0 GCADRP CN(CC1(O)CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275755562 1185026219 /nfs/dbraw/zinc/02/62/19/1185026219.db2.gz YUTQNAKRUFZPMY-UHFFFAOYSA-N 2 0 391.516 0.777 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000642784435 1185096530 /nfs/dbraw/zinc/09/65/30/1185096530.db2.gz XDUOTHJLJQLWJJ-ZOBUZTSGSA-N 2 0 376.501 0.807 20 0 GCADRP O=C1NCC[C@]12CCCN2Cc1cncc(CN2CCC[C@]23CCNC3=O)c1 ZINC000580212107 1185119058 /nfs/dbraw/zinc/11/90/58/1185119058.db2.gz XPNYTUBODBTUIY-NHCUHLMSSA-N 2 0 383.496 0.791 20 0 GCADRP O=C1NCC[C@@]12CCCN2Cc1cncc(CN2CCC[C@@]23CCNC3=O)c1 ZINC000580212109 1185119185 /nfs/dbraw/zinc/11/91/85/1185119185.db2.gz XPNYTUBODBTUIY-SFTDATJTSA-N 2 0 383.496 0.791 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000580225631 1185123013 /nfs/dbraw/zinc/12/30/13/1185123013.db2.gz WCXCPWSJJLHWEG-LJQANCHMSA-N 2 0 387.528 0.931 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000580302524 1185144491 /nfs/dbraw/zinc/14/44/91/1185144491.db2.gz YXIAEPIBVIHASE-KSZLIROESA-N 2 0 392.544 0.546 20 0 GCADRP Cc1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000580466769 1185239428 /nfs/dbraw/zinc/23/94/28/1185239428.db2.gz MGEDRQHDZCVYFP-LSDHHAIUSA-N 2 0 375.473 0.711 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000580498890 1185253756 /nfs/dbraw/zinc/25/37/56/1185253756.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000656255234 1185282220 /nfs/dbraw/zinc/28/22/20/1185282220.db2.gz HDUYOABXLLAWCZ-GOSISDBHSA-N 2 0 378.521 0.616 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000580644298 1185295950 /nfs/dbraw/zinc/29/59/50/1185295950.db2.gz OBBDZLXEGZUFAA-HRCADAONSA-N 2 0 391.520 0.707 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000557415181 1185304482 /nfs/dbraw/zinc/30/44/82/1185304482.db2.gz RTOJIMZBXIMDIZ-KRWDZBQOSA-N 2 0 395.548 0.036 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH+](C)CC1 ZINC000656288357 1185335295 /nfs/dbraw/zinc/33/52/95/1185335295.db2.gz AYHQHYLJZHJBDR-FHWLQOOXSA-N 2 0 393.576 0.508 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580764471 1185349898 /nfs/dbraw/zinc/34/98/98/1185349898.db2.gz DKTGAKCICOFHHX-GOSISDBHSA-N 2 0 375.517 0.207 20 0 GCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)c3cn(CCCC[NH3+])nn3)cc2)CC1 ZINC000580771961 1185350061 /nfs/dbraw/zinc/35/00/61/1185350061.db2.gz QYRVIGJKGSRENH-UHFFFAOYSA-N 2 0 385.516 0.694 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000656296536 1185357041 /nfs/dbraw/zinc/35/70/41/1185357041.db2.gz KOBZKLPIZMUWMJ-UHFFFAOYSA-N 2 0 381.565 0.463 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000580830964 1185390576 /nfs/dbraw/zinc/39/05/76/1185390576.db2.gz WMNHGTRPMIQIAQ-DOTOQJQBSA-N 2 0 387.484 0.191 20 0 GCADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000580845232 1185394981 /nfs/dbraw/zinc/39/49/81/1185394981.db2.gz VLJPTALWSJBPQU-MSOLQXFVSA-N 2 0 399.495 0.034 20 0 GCADRP Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001707885945 1185402405 /nfs/dbraw/zinc/40/24/05/1185402405.db2.gz CJVRRHLXVBQMAH-ICSRJNTNSA-N 2 0 391.564 0.258 20 0 GCADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000069016955 1185409580 /nfs/dbraw/zinc/40/95/80/1185409580.db2.gz UCUFGJCIKLUSQS-QKLQHJQFSA-N 2 0 394.560 0.935 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354294 1185446858 /nfs/dbraw/zinc/44/68/58/1185446858.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 2 0 393.576 0.604 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354296 1185448234 /nfs/dbraw/zinc/44/82/34/1185448234.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356456 1185457902 /nfs/dbraw/zinc/45/79/02/1185457902.db2.gz DMTIKFPNOMEVQD-NEWSRXKRSA-N 2 0 392.544 0.831 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)NCC(=O)N3CC[NH2+]CC3)CCCC2)CC1 ZINC000581001879 1185468097 /nfs/dbraw/zinc/46/80/97/1185468097.db2.gz ZDFQJCIBYDGROG-UHFFFAOYSA-N 2 0 381.521 0.141 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000581063703 1185481191 /nfs/dbraw/zinc/48/11/91/1185481191.db2.gz NOSPJXDIOSKPAD-RHSMWYFYSA-N 2 0 380.533 0.591 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC[C@@H]21 ZINC000581078042 1185487916 /nfs/dbraw/zinc/48/79/16/1185487916.db2.gz RIFQUKZIAUYOMF-QXCFHYIPSA-N 2 0 392.544 0.423 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581254590 1185557235 /nfs/dbraw/zinc/55/72/35/1185557235.db2.gz NZYROMSZTWKXQH-GVDBMIGSSA-N 2 0 379.549 0.105 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccccc1 ZINC000581261316 1185560633 /nfs/dbraw/zinc/56/06/33/1185560633.db2.gz KBIXXUKOBXASCT-FHWLQOOXSA-N 2 0 387.528 0.893 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000581299704 1185574556 /nfs/dbraw/zinc/57/45/56/1185574556.db2.gz XVZIWTUFZJSVDS-ROUUACIJSA-N 2 0 395.548 0.197 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000581329898 1185596967 /nfs/dbraw/zinc/59/69/67/1185596967.db2.gz IZJBUSKYLXNKIQ-SFHVURJKSA-N 2 0 394.560 0.938 20 0 GCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)CC1 ZINC000581359938 1185614571 /nfs/dbraw/zinc/61/45/71/1185614571.db2.gz JITRSJUTCNCDMD-DAWZGUTISA-N 2 0 380.533 0.722 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000581361967 1185614697 /nfs/dbraw/zinc/61/46/97/1185614697.db2.gz FENGVYQYNAHPGZ-IBGZPJMESA-N 2 0 396.576 0.918 20 0 GCADRP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000430586312 1185645827 /nfs/dbraw/zinc/64/58/27/1185645827.db2.gz VTMPEUKSJVSGOA-UHFFFAOYSA-N 2 0 382.549 0.922 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCN1CCc2ccccc21 ZINC000430597462 1185674939 /nfs/dbraw/zinc/67/49/39/1185674939.db2.gz AIHHLIAVIQHYFB-LJQANCHMSA-N 2 0 399.539 0.309 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581429232 1185687682 /nfs/dbraw/zinc/68/76/82/1185687682.db2.gz CWKSZUYFBKHOID-ROUUACIJSA-N 2 0 389.544 0.553 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000581451569 1185697335 /nfs/dbraw/zinc/69/73/35/1185697335.db2.gz IQOCWQRLOHDGSI-NXHRZFHOSA-N 2 0 380.533 0.471 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891414156 1185723084 /nfs/dbraw/zinc/72/30/84/1185723084.db2.gz GHCKHBXTUWASLW-JJTUDDRGSA-N 2 0 379.505 0.683 20 0 GCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000581478974 1185723231 /nfs/dbraw/zinc/72/32/31/1185723231.db2.gz HKVXTGRFZCOQOK-UHFFFAOYSA-N 2 0 381.565 0.508 20 0 GCADRP Cc1csc2nc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cc(=O)n12 ZINC000430608443 1185741084 /nfs/dbraw/zinc/74/10/84/1185741084.db2.gz FJNYOEXTZAOHRK-CQSZACIVSA-N 2 0 375.498 0.708 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)COCC(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000581525308 1185744221 /nfs/dbraw/zinc/74/42/21/1185744221.db2.gz YSYRGWZOOFUMBF-HDICACEKSA-N 2 0 382.549 0.888 20 0 GCADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609591 1185751903 /nfs/dbraw/zinc/75/19/03/1185751903.db2.gz HQJLIQNYECLHTO-CHWSQXEVSA-N 2 0 379.436 0.649 20 0 GCADRP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430610406 1185756629 /nfs/dbraw/zinc/75/66/29/1185756629.db2.gz KRYGVRBVDQLKNU-OAHLLOKOSA-N 2 0 383.514 0.646 20 0 GCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC001022017183 1185770480 /nfs/dbraw/zinc/77/04/80/1185770480.db2.gz CSYFFWNUGVRFKV-FCGDIQPGSA-N 2 0 392.544 0.497 20 0 GCADRP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)CC2)c1 ZINC000430614345 1185774035 /nfs/dbraw/zinc/77/40/35/1185774035.db2.gz YHVJCNHTASCWOQ-GOSISDBHSA-N 2 0 387.528 0.431 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430614292 1185775480 /nfs/dbraw/zinc/77/54/80/1185775480.db2.gz XWKASTGSCDAPDL-WMZOPIPTSA-N 2 0 392.475 0.513 20 0 GCADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614092 1185775763 /nfs/dbraw/zinc/77/57/63/1185775763.db2.gz YCSWVXGXUWDFLD-GJZGRUSLSA-N 2 0 388.468 0.886 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000581597871 1185780453 /nfs/dbraw/zinc/78/04/53/1185780453.db2.gz IEVJWFOLXDHOGG-NZSAHSFTSA-N 2 0 387.528 0.115 20 0 GCADRP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615228 1185782779 /nfs/dbraw/zinc/78/27/79/1185782779.db2.gz BGVZIMCTUMPHDY-CABCVRRESA-N 2 0 392.500 0.668 20 0 GCADRP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615234 1185783202 /nfs/dbraw/zinc/78/32/02/1185783202.db2.gz BGVZIMCTUMPHDY-HUUCEWRRSA-N 2 0 392.500 0.668 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000642808245 1185805373 /nfs/dbraw/zinc/80/53/73/1185805373.db2.gz UMBWRRQUPLYVEK-ZYSHUDEJSA-N 2 0 388.512 0.588 20 0 GCADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623197 1185806786 /nfs/dbraw/zinc/80/67/86/1185806786.db2.gz HEWJXBWFEPAMSX-IRXDYDNUSA-N 2 0 376.501 0.665 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000430625357 1185808341 /nfs/dbraw/zinc/80/83/41/1185808341.db2.gz KKUIDMIDGBZAQU-FGTMMUONSA-N 2 0 378.517 0.300 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430625845 1185809454 /nfs/dbraw/zinc/80/94/54/1185809454.db2.gz KPBWQCCVENOMLG-GOSISDBHSA-N 2 0 398.511 0.318 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430627219 1185813169 /nfs/dbraw/zinc/81/31/69/1185813169.db2.gz MTNKPJYPWOBKEY-AWEZNQCLSA-N 2 0 382.892 0.622 20 0 GCADRP CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430628679 1185815654 /nfs/dbraw/zinc/81/56/54/1185815654.db2.gz PAZLMFMFIKVMHA-QGZVFWFLSA-N 2 0 376.501 0.879 20 0 GCADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633093 1185822186 /nfs/dbraw/zinc/82/21/86/1185822186.db2.gz BIJQPNNURFBKQW-GOSISDBHSA-N 2 0 388.512 0.797 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430639172 1185842581 /nfs/dbraw/zinc/84/25/81/1185842581.db2.gz FDFUGZKTANTLNL-LJQANCHMSA-N 3 0 387.528 0.118 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000430639171 1185842928 /nfs/dbraw/zinc/84/29/28/1185842928.db2.gz FDFUGZKTANTLNL-IBGZPJMESA-N 3 0 387.528 0.118 20 0 GCADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430641927 1185846508 /nfs/dbraw/zinc/84/65/08/1185846508.db2.gz JPEIGVUMEWJMCM-KGLIPLIRSA-N 2 0 376.457 0.572 20 0 GCADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642206 1185854623 /nfs/dbraw/zinc/85/46/23/1185854623.db2.gz ODQPKYJHWOPUCC-SFHVURJKSA-N 2 0 388.512 0.498 20 0 GCADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645833 1185859015 /nfs/dbraw/zinc/85/90/15/1185859015.db2.gz ORUDSRUAQVNJJX-HUUCEWRRSA-N 2 0 390.484 0.962 20 0 GCADRP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430645743 1185859745 /nfs/dbraw/zinc/85/97/45/1185859745.db2.gz OFSZONJYAYVFSO-SFHVURJKSA-N 2 0 388.512 0.593 20 0 GCADRP O=C([C@@H]1CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1)N1CC[NH2+]CC1 ZINC000430647985 1185863595 /nfs/dbraw/zinc/86/35/95/1185863595.db2.gz QSTQJMSDTDRMPH-MRXNPFEDSA-N 2 0 384.480 0.817 20 0 GCADRP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430648124 1185865895 /nfs/dbraw/zinc/86/58/95/1185865895.db2.gz YZQIPURJVQLUOI-KBPBESRZSA-N 2 0 382.455 0.799 20 0 GCADRP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430650119 1185866295 /nfs/dbraw/zinc/86/62/95/1185866295.db2.gz JZZZECRIJCRUKA-NVXWUHKLSA-N 2 0 376.476 0.974 20 0 GCADRP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000430653581 1185876680 /nfs/dbraw/zinc/87/66/80/1185876680.db2.gz OYKKKGQYSUCGDV-OAHLLOKOSA-N 2 0 375.473 0.738 20 0 GCADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891465589 1185880765 /nfs/dbraw/zinc/88/07/65/1185880765.db2.gz OVMWEJVMXFEEEG-ZACQAIPSSA-N 2 0 379.505 0.685 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891481803 1185887430 /nfs/dbraw/zinc/88/74/30/1185887430.db2.gz HFACGNCUOOPMIY-CQSZACIVSA-N 2 0 394.545 0.612 20 0 GCADRP O=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000891506014 1185899041 /nfs/dbraw/zinc/89/90/41/1185899041.db2.gz SNYBJIDBFNBHRO-LJQANCHMSA-N 2 0 376.501 0.643 20 0 GCADRP CCN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000891512128 1185901149 /nfs/dbraw/zinc/90/11/49/1185901149.db2.gz INDKEJZQSIPQPJ-QGZVFWFLSA-N 2 0 375.521 0.772 20 0 GCADRP C[C@@H]1c2nncn2CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276585429 1185916144 /nfs/dbraw/zinc/91/61/44/1185916144.db2.gz PDKARHXNNRCQQP-MRXNPFEDSA-N 2 0 384.488 0.972 20 0 GCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891566292 1185921180 /nfs/dbraw/zinc/92/11/80/1185921180.db2.gz TZOXBXXSFGOBNU-WOJBJXKFSA-N 2 0 387.528 0.407 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C ZINC000891567436 1185922562 /nfs/dbraw/zinc/92/25/62/1185922562.db2.gz JSZHVAHXTKLNGQ-LVQVYYBASA-N 2 0 381.521 0.929 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCSC1 ZINC000891640330 1185954304 /nfs/dbraw/zinc/95/43/04/1185954304.db2.gz YMRBOJCLUIOPSS-LOUJCGABSA-N 2 0 383.518 0.000 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCSC1 ZINC000891640491 1185954577 /nfs/dbraw/zinc/95/45/77/1185954577.db2.gz YMRBOJCLUIOPSS-QDEZUTFSSA-N 2 0 383.518 0.000 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891655912 1185960742 /nfs/dbraw/zinc/96/07/42/1185960742.db2.gz SLRPDRBKBGBAHZ-OXJNMPFZSA-N 2 0 379.549 0.864 20 0 GCADRP C[C@H](NC(=O)NCCN1CCN(c2ncccn2)CC1)C(C)(C)C[NH+](C)C ZINC000085359519 1185989186 /nfs/dbraw/zinc/98/91/86/1185989186.db2.gz FTXBTLBSDDXHLQ-INIZCTEOSA-N 2 0 377.537 0.874 20 0 GCADRP O=C(N[C@H]1CCN(c2ccccn2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891709713 1185990640 /nfs/dbraw/zinc/99/06/40/1185990640.db2.gz SZMYUDGHKRXGRC-JONQDZQNSA-N 2 0 386.456 0.237 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)ccn1 ZINC000891726095 1185995940 /nfs/dbraw/zinc/99/59/40/1185995940.db2.gz JMVHNHNQEPJPKY-QGZVFWFLSA-N 2 0 391.516 0.980 20 0 GCADRP CC[NH+]1C[C@@H](C)N(C(=O)COCC(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000581967562 1186012995 /nfs/dbraw/zinc/01/29/95/1186012995.db2.gz XGHISZHKPBKCJQ-TVFCKZIOSA-N 2 0 382.549 0.885 20 0 GCADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430712108 1186020836 /nfs/dbraw/zinc/02/08/36/1186020836.db2.gz YMCPZMKGPOMUPS-UHFFFAOYSA-N 2 0 376.505 0.968 20 0 GCADRP Cc1c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000430728337 1186023036 /nfs/dbraw/zinc/02/30/36/1186023036.db2.gz ZWSFDCZSUSBWBD-UHFFFAOYSA-N 2 0 376.505 0.695 20 0 GCADRP C[C@H](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000891776116 1186025186 /nfs/dbraw/zinc/02/51/86/1186025186.db2.gz GXMADTCEVSHDND-TWMKSMIVSA-N 2 0 379.505 0.827 20 0 GCADRP C[C@@H](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000891776114 1186025974 /nfs/dbraw/zinc/02/59/74/1186025974.db2.gz GXMADTCEVSHDND-HZMVEIRTSA-N 2 0 379.505 0.827 20 0 GCADRP C[C@H](O)CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)CO ZINC000276766002 1186035172 /nfs/dbraw/zinc/03/51/72/1186035172.db2.gz NPTOQPJWQKSMPN-IRXDYDNUSA-N 2 0 379.505 0.367 20 0 GCADRP Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)nnn1C1CC[NH2+]CC1 ZINC000430873755 1186045193 /nfs/dbraw/zinc/04/51/93/1186045193.db2.gz WODYUYRGPKHAED-MRXNPFEDSA-N 2 0 391.520 0.184 20 0 GCADRP C[C@H](CCNC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c[nH]1)[NH+](C)C ZINC000657088277 1186047829 /nfs/dbraw/zinc/04/78/29/1186047829.db2.gz BVLQKZNPQQUDML-KGLIPLIRSA-N 2 0 387.550 0.703 20 0 GCADRP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430919892 1186054125 /nfs/dbraw/zinc/05/41/25/1186054125.db2.gz MTEPNCFDZYEYOC-MELADBBJSA-N 2 0 382.530 0.959 20 0 GCADRP C[NH2+]CC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000430961032 1186070398 /nfs/dbraw/zinc/07/03/98/1186070398.db2.gz BHMCBPXVTQFRSU-ZDUSSCGKSA-N 2 0 380.514 0.543 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCO1 ZINC000891854057 1186094177 /nfs/dbraw/zinc/09/41/77/1186094177.db2.gz ADKZPGOLDJCAPZ-TWMKSMIVSA-N 2 0 395.504 0.064 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857424 1186099589 /nfs/dbraw/zinc/09/95/89/1186099589.db2.gz AZOGCDZMCZDVHG-TWMKSMIVSA-N 2 0 377.489 0.580 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857422 1186100058 /nfs/dbraw/zinc/10/00/58/1186100058.db2.gz AZOGCDZMCZDVHG-HZMVEIRTSA-N 2 0 377.489 0.580 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000431013012 1186102942 /nfs/dbraw/zinc/10/29/42/1186102942.db2.gz DDVHAXDTTSWSPB-UHFFFAOYSA-N 2 0 384.488 0.279 20 0 GCADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000431038672 1186111976 /nfs/dbraw/zinc/11/19/76/1186111976.db2.gz UMGWWPJYQQLLIC-LSDHHAIUSA-N 2 0 386.418 0.796 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431043993 1186113236 /nfs/dbraw/zinc/11/32/36/1186113236.db2.gz UHNQPDUCRQJBNC-UHFFFAOYSA-N 2 0 394.541 0.458 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000642881251 1186128211 /nfs/dbraw/zinc/12/82/11/1186128211.db2.gz NGLVYGVVWCHEDK-IAGOWNOFSA-N 2 0 380.533 0.866 20 0 GCADRP CSC1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH+](C)CC1 ZINC000891909026 1186153264 /nfs/dbraw/zinc/15/32/64/1186153264.db2.gz ZCDBPEZRKUKJDX-KFWWJZLASA-N 2 0 397.545 0.390 20 0 GCADRP Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001707915694 1186272877 /nfs/dbraw/zinc/27/28/77/1186272877.db2.gz WMQRADBIBDVFLV-GOSISDBHSA-N 2 0 392.548 0.592 20 0 GCADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000892007923 1186306271 /nfs/dbraw/zinc/30/62/71/1186306271.db2.gz COEVSJYGEVUDMF-RTBURBONSA-N 2 0 381.565 0.990 20 0 GCADRP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812131 1186322084 /nfs/dbraw/zinc/32/20/84/1186322084.db2.gz URNWAVNBASDEFD-UHFFFAOYSA-N 2 0 389.544 0.873 20 0 GCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892087781 1186334017 /nfs/dbraw/zinc/33/40/17/1186334017.db2.gz HYDXUZFNRZLYQU-HXUWFJFHSA-N 2 0 387.528 0.886 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000582015014 1186342215 /nfs/dbraw/zinc/34/22/15/1186342215.db2.gz WZOUVTHPVYVEOM-GOSISDBHSA-N 2 0 397.564 0.369 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000892106996 1186345439 /nfs/dbraw/zinc/34/54/39/1186345439.db2.gz GBQRMNJZVUTZBD-HOCLYGCPSA-N 2 0 377.455 0.998 20 0 GCADRP C[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537970308 1186351440 /nfs/dbraw/zinc/35/14/40/1186351440.db2.gz PRCYLRHYDDUSAG-WDYCEAGBSA-N 2 0 399.557 0.965 20 0 GCADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892118866 1186354602 /nfs/dbraw/zinc/35/46/02/1186354602.db2.gz JFNUZHBEOQJYCA-HPBDAGMYSA-N 2 0 385.468 0.450 20 0 GCADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892118868 1186354610 /nfs/dbraw/zinc/35/46/10/1186354610.db2.gz JFNUZHBEOQJYCA-OWLYRPNTSA-N 2 0 385.468 0.450 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1C(F)(F)F ZINC000892132663 1186363819 /nfs/dbraw/zinc/36/38/19/1186363819.db2.gz QXLULFXXRFERPA-URGYJCLVSA-N 2 0 377.455 0.981 20 0 GCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892156989 1186380341 /nfs/dbraw/zinc/38/03/41/1186380341.db2.gz UGXPMUFRRVYQIE-HUUCEWRRSA-N 2 0 375.464 0.079 20 0 GCADRP OCC[NH+]1CCC[C@H]2[C@H]1CCN2C/C=C/CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934264650 1186391573 /nfs/dbraw/zinc/39/15/73/1186391573.db2.gz UPHMGKMWQXEGMP-DSSAHMMJSA-N 2 0 392.588 0.605 20 0 GCADRP OCC[NH+]1CCC[C@@H]2[C@H]1CCN2C/C=C\CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934264660 1186391921 /nfs/dbraw/zinc/39/19/21/1186391921.db2.gz UPHMGKMWQXEGMP-VXXAQHDBSA-N 2 0 392.588 0.605 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000582079184 1186398988 /nfs/dbraw/zinc/39/89/88/1186398988.db2.gz VCWXDZXMCITYRO-UHFFFAOYSA-N 2 0 395.592 0.707 20 0 GCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582080077 1186402504 /nfs/dbraw/zinc/40/25/04/1186402504.db2.gz MXJRZCDHIFIVQA-QGZVFWFLSA-N 2 0 394.560 0.936 20 0 GCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892187839 1186419754 /nfs/dbraw/zinc/41/97/54/1186419754.db2.gz NJLZWAITSYOGBB-NCXUSEDFSA-N 2 0 379.549 0.470 20 0 GCADRP C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000892220102 1186464220 /nfs/dbraw/zinc/46/42/20/1186464220.db2.gz WVGXBTKWROLEAL-UHFFFAOYSA-N 2 0 394.541 0.257 20 0 GCADRP O=C(CN1CCC[C@@H](OCCO)C1)NCc1ccccc1CN1CCOCC1 ZINC000548733553 1186501549 /nfs/dbraw/zinc/50/15/49/1186501549.db2.gz WPVAYSZELJGECI-HXUWFJFHSA-N 2 0 391.512 0.608 20 0 GCADRP CC[C@H]1C[NH+](C)CCCN1C(=O)COCC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000684864590 1186525882 /nfs/dbraw/zinc/52/58/82/1186525882.db2.gz LXHWWJBWZXALHE-ROUUACIJSA-N 2 0 382.549 0.888 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000582543314 1186561719 /nfs/dbraw/zinc/56/17/19/1186561719.db2.gz ZDCSLPANOVBCMM-QGZVFWFLSA-N 2 0 399.499 0.252 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000582619961 1186587293 /nfs/dbraw/zinc/58/72/93/1186587293.db2.gz MDGOPSVECKZIIK-BQFCYCMXSA-N 2 0 379.549 0.116 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000582651911 1186598004 /nfs/dbraw/zinc/59/80/04/1186598004.db2.gz FZVQVAKCBOXPOA-GOSISDBHSA-N 3 0 381.565 0.129 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000582687908 1186609013 /nfs/dbraw/zinc/60/90/13/1186609013.db2.gz NALXAFDKJIUSSG-MSOLQXFVSA-N 2 0 382.549 0.671 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000363485107 1186611344 /nfs/dbraw/zinc/61/13/44/1186611344.db2.gz KLCXTEUXXYDIBH-MOPGFXCFSA-N 2 0 379.549 0.707 20 0 GCADRP NC(=O)c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000892287143 1186623992 /nfs/dbraw/zinc/62/39/92/1186623992.db2.gz WFZTWRKJVIXLKJ-DLBZAZTESA-N 2 0 399.543 0.925 20 0 GCADRP C[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000074656107 1186626528 /nfs/dbraw/zinc/62/65/28/1186626528.db2.gz XGPXVQPVCNSTEV-RTBURBONSA-N 2 0 380.581 0.291 20 0 GCADRP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1CCOC ZINC000582740175 1186645847 /nfs/dbraw/zinc/64/58/47/1186645847.db2.gz HZUYDZPAAZTTGJ-FUHWJXTLSA-N 2 0 380.533 0.546 20 0 GCADRP CN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000642919842 1186669388 /nfs/dbraw/zinc/66/93/88/1186669388.db2.gz JQZBETSAXAIRLM-MOPGFXCFSA-N 2 0 393.576 0.650 20 0 GCADRP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000582786971 1186675990 /nfs/dbraw/zinc/67/59/90/1186675990.db2.gz SDYQSFGKDWJYSV-QUCCMNQESA-N 2 0 394.560 0.920 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000582799859 1186682544 /nfs/dbraw/zinc/68/25/44/1186682544.db2.gz CEVSQLZVEYWCMT-UHFFFAOYSA-N 2 0 393.576 0.607 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000237607660 1186695196 /nfs/dbraw/zinc/69/51/96/1186695196.db2.gz RFXGTCAGQYPJBV-CALCHBBNSA-N 2 0 389.548 0.833 20 0 GCADRP CN1CCc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2C1=O ZINC000582824091 1186701925 /nfs/dbraw/zinc/70/19/25/1186701925.db2.gz MSZGMLYRLQKOPS-UHFFFAOYSA-N 2 0 389.500 0.205 20 0 GCADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000582900189 1186726176 /nfs/dbraw/zinc/72/61/76/1186726176.db2.gz GYMXYPIWKDHHBH-SBHAEUEKSA-N 2 0 391.560 0.653 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC000582986291 1186741876 /nfs/dbraw/zinc/74/18/76/1186741876.db2.gz OITMGISARJBNGY-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000583014007 1186748017 /nfs/dbraw/zinc/74/80/17/1186748017.db2.gz ANVMGENOKKTGOV-WBVHZDCISA-N 2 0 377.464 0.250 20 0 GCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000583039196 1186753470 /nfs/dbraw/zinc/75/34/70/1186753470.db2.gz ZORCSCNBHFHFRY-CALCHBBNSA-N 2 0 382.549 0.935 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CCC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000583036008 1186753989 /nfs/dbraw/zinc/75/39/89/1186753989.db2.gz VEKWWQUKFFICGK-RBUKOAKNSA-N 2 0 385.512 0.359 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000583100366 1186769771 /nfs/dbraw/zinc/76/97/71/1186769771.db2.gz MXKKZPDRDDZIQJ-UHFFFAOYSA-N 2 0 389.500 0.347 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000583132647 1186777812 /nfs/dbraw/zinc/77/78/12/1186777812.db2.gz CZKMZKANELEDNE-GOSISDBHSA-N 2 0 375.517 0.671 20 0 GCADRP CCOC(CNC(=O)[C@@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427465064 1186788250 /nfs/dbraw/zinc/78/82/50/1186788250.db2.gz GFOIDIVEEOWEOL-OALUTQOASA-N 2 0 392.544 0.878 20 0 GCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000583174835 1186788975 /nfs/dbraw/zinc/78/89/75/1186788975.db2.gz HSGPPFCYAMZODF-OAHLLOKOSA-N 2 0 378.521 1.325 20 0 GCADRP CCc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000124588220 1186797968 /nfs/dbraw/zinc/79/79/68/1186797968.db2.gz JEZNGWKHOBFMII-INIZCTEOSA-N 2 0 376.505 0.852 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000124590478 1186798888 /nfs/dbraw/zinc/79/88/88/1186798888.db2.gz OTDAKDYULOXHOT-INIZCTEOSA-N 2 0 391.516 0.507 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583250806 1186807741 /nfs/dbraw/zinc/80/77/41/1186807741.db2.gz GEMOQBDAWOOZHM-HNNXBMFYSA-N 2 0 386.496 0.983 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000583276517 1186814727 /nfs/dbraw/zinc/81/47/27/1186814727.db2.gz DULQAJMHEXOWFW-OKZBNKHCSA-N 2 0 382.549 0.839 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1n1ccnc1 ZINC000427564937 1186823311 /nfs/dbraw/zinc/82/33/11/1186823311.db2.gz LQYCVCGEJAKSAZ-DOTOQJQBSA-N 2 0 399.499 1.395 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000583313795 1186823805 /nfs/dbraw/zinc/82/38/05/1186823805.db2.gz KDDLMFZPLVUBKA-GOSISDBHSA-N 2 0 381.565 0.319 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000583340549 1186830966 /nfs/dbraw/zinc/83/09/66/1186830966.db2.gz QNMWOOYQSWAPQS-JFIYKMOQSA-N 2 0 378.517 0.156 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392502 1186844135 /nfs/dbraw/zinc/84/41/35/1186844135.db2.gz IKEJGSASJRVWCX-GBESFXJTSA-N 2 0 385.512 0.504 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000583513661 1186876306 /nfs/dbraw/zinc/87/63/06/1186876306.db2.gz QFLHBTUSVIGCCE-QZTJIDSGSA-N 2 0 382.549 0.840 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000583738685 1186930207 /nfs/dbraw/zinc/93/02/07/1186930207.db2.gz LYRXDUIWCHGXGT-UHFFFAOYSA-N 2 0 393.576 0.558 20 0 GCADRP COCC[N@H+](C)CCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000157578372 1186932772 /nfs/dbraw/zinc/93/27/72/1186932772.db2.gz VNMCBXJENZCISZ-UHFFFAOYSA-N 2 0 387.550 0.738 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000583759679 1186933874 /nfs/dbraw/zinc/93/38/74/1186933874.db2.gz UEYFVLVRDPTMCP-INIZCTEOSA-N 2 0 382.549 0.528 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000583798233 1186941345 /nfs/dbraw/zinc/94/13/45/1186941345.db2.gz MQDQQAHINGBDAT-HXUWFJFHSA-N 2 0 398.548 0.519 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000583802548 1186942538 /nfs/dbraw/zinc/94/25/38/1186942538.db2.gz DDBHJHZBFVHGSF-JKSUJKDBSA-N 2 0 381.546 0.349 20 0 GCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000583834846 1186949663 /nfs/dbraw/zinc/94/96/63/1186949663.db2.gz CJRBAGXDGCDERQ-ZWKOTPCHSA-N 2 0 380.533 0.469 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000583858075 1186952739 /nfs/dbraw/zinc/95/27/39/1186952739.db2.gz RMIRHPBAUMFINZ-UHFFFAOYSA-N 2 0 394.560 0.890 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCO1 ZINC000458710748 1186955858 /nfs/dbraw/zinc/95/58/58/1186955858.db2.gz FGJVCMKNCDMFIM-GOSISDBHSA-N 2 0 397.564 0.779 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000583980407 1186972020 /nfs/dbraw/zinc/97/20/20/1186972020.db2.gz OULAJTDAEXDEMX-GOSISDBHSA-N 2 0 375.517 0.651 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000584080726 1186995622 /nfs/dbraw/zinc/99/56/22/1186995622.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 2 0 379.549 0.237 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C[C@H](C)O1 ZINC000584107295 1186999954 /nfs/dbraw/zinc/99/99/54/1186999954.db2.gz GSKJEFXXPNMWHW-JFRXWTBNSA-N 2 0 392.544 0.545 20 0 GCADRP Cn1c2cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2oc1=O ZINC000562499203 1187006292 /nfs/dbraw/zinc/00/62/92/1187006292.db2.gz YNIXFDOAQVOYGR-UHFFFAOYSA-N 2 0 377.445 0.022 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000584195164 1187013407 /nfs/dbraw/zinc/01/34/07/1187013407.db2.gz OZEMQAKVAAGMMD-QZTJIDSGSA-N 2 0 394.560 0.719 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(COC)n1 ZINC000657835018 1187014939 /nfs/dbraw/zinc/01/49/39/1187014939.db2.gz NSTQKDKMHFHWTE-HNNXBMFYSA-N 2 0 392.504 0.436 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611823048 1187035772 /nfs/dbraw/zinc/03/57/72/1187035772.db2.gz MRAJXJNOMNTLOS-ZWKOTPCHSA-N 2 0 378.517 0.489 20 0 GCADRP CC[NH+](CC)CCN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000584351850 1187037070 /nfs/dbraw/zinc/03/70/70/1187037070.db2.gz OPZDHBBAHVZCHL-HUUCEWRRSA-N 2 0 397.545 0.458 20 0 GCADRP CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000584352914 1187037363 /nfs/dbraw/zinc/03/73/63/1187037363.db2.gz GTGQDLWIAJDQJP-LJQANCHMSA-N 2 0 387.528 0.805 20 0 GCADRP C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000584363859 1187039900 /nfs/dbraw/zinc/03/99/00/1187039900.db2.gz CCQPKQQHSSKOGN-UHFFFAOYSA-N 2 0 388.512 0.988 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000657873504 1187086077 /nfs/dbraw/zinc/08/60/77/1187086077.db2.gz HYQQDLYWFCOGOG-UHFFFAOYSA-N 2 0 389.500 0.299 20 0 GCADRP C[NH+]1CCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC000635562239 1187092229 /nfs/dbraw/zinc/09/22/29/1187092229.db2.gz MCNGBHBNIZYMKR-IRXDYDNUSA-N 2 0 380.533 0.737 20 0 GCADRP Cc1ncc(C[NH3+])c(=N)n1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001167677584 1187105721 /nfs/dbraw/zinc/10/57/21/1187105721.db2.gz UFBYYNYUKOISIX-UHFFFAOYSA-N 2 0 376.486 0.149 20 0 GCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1COc2ccccc21 ZINC000685405406 1187123600 /nfs/dbraw/zinc/12/36/00/1187123600.db2.gz WLAYCTBJZAOXDB-DOTOQJQBSA-N 2 0 376.501 0.619 20 0 GCADRP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685520294 1187143446 /nfs/dbraw/zinc/14/34/46/1187143446.db2.gz BOPMXQVMIRVSED-ROUUACIJSA-N 2 0 393.576 0.461 20 0 GCADRP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685520295 1187143773 /nfs/dbraw/zinc/14/37/73/1187143773.db2.gz BOPMXQVMIRVSED-ZWKOTPCHSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC([N@H+](C)CCCO)CC1 ZINC000172305837 1187155189 /nfs/dbraw/zinc/15/51/89/1187155189.db2.gz DWYJSULXAGUHRV-SFHVURJKSA-N 2 0 389.544 0.897 20 0 GCADRP [NH3+][C@H](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000892408506 1187174905 /nfs/dbraw/zinc/17/49/05/1187174905.db2.gz QUCQEHRVYKRQOA-RTBURBONSA-N 2 0 387.528 0.800 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2O)CC[N@@H+]1C ZINC001023979060 1187210721 /nfs/dbraw/zinc/21/07/21/1187210721.db2.gz PWDDALUDNDEWQY-BSDSXHPESA-N 2 0 380.533 0.137 20 0 GCADRP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673774 1187218306 /nfs/dbraw/zinc/21/83/06/1187218306.db2.gz WHMIEHHVRVEGOR-INIZCTEOSA-N 2 0 375.477 0.880 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000658216513 1187258925 /nfs/dbraw/zinc/25/89/25/1187258925.db2.gz NTIYFOJEPYMYIZ-UHFFFAOYSA-N 2 0 393.576 0.417 20 0 GCADRP C[C@H](CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+](C)C ZINC000658422774 1187293565 /nfs/dbraw/zinc/29/35/65/1187293565.db2.gz GLPZBPATZRWRSY-CQSZACIVSA-N 2 0 377.489 0.972 20 0 GCADRP CC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C[C@@H]2CCOC2)CC1 ZINC000612154362 1187314568 /nfs/dbraw/zinc/31/45/68/1187314568.db2.gz ZZXAACLOBYCUQJ-KSZLIROESA-N 2 0 390.532 0.992 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000148626066 1187330297 /nfs/dbraw/zinc/33/02/97/1187330297.db2.gz XCBIBLHEWLCIDG-UHFFFAOYSA-N 2 0 392.500 0.793 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000658568906 1187349478 /nfs/dbraw/zinc/34/94/78/1187349478.db2.gz YTTVMEUCHLGHTR-MSOLQXFVSA-N 2 0 379.549 0.025 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000548896829 1187371221 /nfs/dbraw/zinc/37/12/21/1187371221.db2.gz DQRWXWDYQCMRIU-AWEZNQCLSA-N 2 0 390.492 0.662 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000658622887 1187389660 /nfs/dbraw/zinc/38/96/60/1187389660.db2.gz ISJFVHCWJGSEOX-KRWDZBQOSA-N 2 0 381.565 0.460 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)[C@@H]2C1 ZINC000612223822 1187411934 /nfs/dbraw/zinc/41/19/34/1187411934.db2.gz LORFNMLXTNSOLB-WOJBJXKFSA-N 2 0 399.539 0.962 20 0 GCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612225614 1187412810 /nfs/dbraw/zinc/41/28/10/1187412810.db2.gz DSHUFUHTQCXJCT-UHFFFAOYSA-N 2 0 387.528 0.964 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000375906481 1187481990 /nfs/dbraw/zinc/48/19/90/1187481990.db2.gz PHWVFBWHGMOKEL-CYBMUJFWSA-N 2 0 379.427 0.475 20 0 GCADRP CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000413719610 1187482302 /nfs/dbraw/zinc/48/23/02/1187482302.db2.gz RAGYHRFOPYYANU-KZNAEPCWSA-N 2 0 392.548 0.812 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612447319 1187493292 /nfs/dbraw/zinc/49/32/92/1187493292.db2.gz PGZFAHJHQACBMB-IEBWSBKVSA-N 2 0 392.544 0.879 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612479230 1187503045 /nfs/dbraw/zinc/50/30/45/1187503045.db2.gz AOQYBLQFKSBBNZ-SJLPKXTDSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000612481048 1187504323 /nfs/dbraw/zinc/50/43/23/1187504323.db2.gz OMWBQTIYFNMUMP-RTBURBONSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000612486221 1187506203 /nfs/dbraw/zinc/50/62/03/1187506203.db2.gz QMBIORQYRXETJQ-ROUUACIJSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCC1([NH+]3CCCC3)CCOCC1)CC[NH2+]CC2 ZINC000570082138 1187515825 /nfs/dbraw/zinc/51/58/25/1187515825.db2.gz RBUQEAUEHQFMBN-KRWDZBQOSA-N 2 0 392.544 0.738 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612543892 1187518215 /nfs/dbraw/zinc/51/82/15/1187518215.db2.gz TUTFKEZCOIGLKX-SFHVURJKSA-N 2 0 379.549 0.073 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612543889 1187518281 /nfs/dbraw/zinc/51/82/81/1187518281.db2.gz TUTFKEZCOIGLKX-GOSISDBHSA-N 2 0 379.549 0.073 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548655 1187521203 /nfs/dbraw/zinc/52/12/03/1187521203.db2.gz PLBHYDAWUCYMMH-CEXWTWQISA-N 2 0 393.576 0.604 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612546407 1187521575 /nfs/dbraw/zinc/52/15/75/1187521575.db2.gz SFLBTYNBSSNCFD-GOSISDBHSA-N 2 0 393.576 0.604 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000612546585 1187522765 /nfs/dbraw/zinc/52/27/65/1187522765.db2.gz UGJZFRHHKQZDAC-BZSNNMDCSA-N 2 0 379.549 0.071 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612594371 1187534594 /nfs/dbraw/zinc/53/45/94/1187534594.db2.gz LEBPRHXFMGDTFL-GOSISDBHSA-N 2 0 382.549 0.936 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597770 1187535941 /nfs/dbraw/zinc/53/59/41/1187535941.db2.gz NAGZHZCTBZKZHI-BPQIPLTHSA-N 2 0 378.517 0.299 20 0 GCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612596999 1187536733 /nfs/dbraw/zinc/53/67/33/1187536733.db2.gz ZKTFAFSTBAEORW-HKUYNNGSSA-N 2 0 392.544 0.546 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000612601709 1187539924 /nfs/dbraw/zinc/53/99/24/1187539924.db2.gz SYVVAAZNKFXNCZ-ZWKOTPCHSA-N 2 0 378.517 0.443 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000612602439 1187540191 /nfs/dbraw/zinc/54/01/91/1187540191.db2.gz XVSDQXMAQNHSPZ-FUHWJXTLSA-N 2 0 380.533 0.594 20 0 GCADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)O1 ZINC000570329140 1187574809 /nfs/dbraw/zinc/57/48/09/1187574809.db2.gz JQGUWJUYGNDINF-OTWHNJEPSA-N 2 0 387.528 0.949 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000612782947 1187582759 /nfs/dbraw/zinc/58/27/59/1187582759.db2.gz WKCVGGNWDWKSSQ-IRXDYDNUSA-N 2 0 394.560 0.840 20 0 GCADRP C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000612863056 1187607479 /nfs/dbraw/zinc/60/74/79/1187607479.db2.gz OLBUCPNFVVTRLH-OAHLLOKOSA-N 2 0 375.521 0.803 20 0 GCADRP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915955 1187618801 /nfs/dbraw/zinc/61/88/01/1187618801.db2.gz VJBIQDCCXBKPLD-HOTGVXAUSA-N 2 0 375.521 0.708 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924121 1187619627 /nfs/dbraw/zinc/61/96/27/1187619627.db2.gz NOQSQWYYTJSUFR-HZPDHXFCSA-N 2 0 391.520 0.087 20 0 GCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612923739 1187621098 /nfs/dbraw/zinc/62/10/98/1187621098.db2.gz KOAIGIULQKVXJB-OWCLPIDISA-N 2 0 375.521 0.836 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)CC[N@@H+]1C ZINC001024861941 1187652964 /nfs/dbraw/zinc/65/29/64/1187652964.db2.gz MSDCRYJNDUXQFO-BSDSXHPESA-N 2 0 385.468 0.366 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001025000084 1187741890 /nfs/dbraw/zinc/74/18/90/1187741890.db2.gz BABRAXQYGDNFRH-YLFCFFPRSA-N 2 0 380.533 0.279 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000376322940 1187761605 /nfs/dbraw/zinc/76/16/05/1187761605.db2.gz ORXRGECPAMNRNE-XYTVBORESA-N 2 0 381.521 0.090 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000376343972 1187779042 /nfs/dbraw/zinc/77/90/42/1187779042.db2.gz MOEXQEFSAJWDPP-OALUTQOASA-N 2 0 398.548 0.618 20 0 GCADRP COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000376344625 1187779946 /nfs/dbraw/zinc/77/99/46/1187779946.db2.gz SWSKWEHEMXNVOI-INIZCTEOSA-N 2 0 381.521 0.933 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@@H](c2cnn(C)c2)C1 ZINC000376353875 1187786355 /nfs/dbraw/zinc/78/63/55/1187786355.db2.gz RCGJKLNKBNHFQY-GOSISDBHSA-N 2 0 392.548 0.816 20 0 GCADRP O=C(NC[C@H]1CCCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)[C@H]1CCC[NH2+]1 ZINC000892586910 1187797564 /nfs/dbraw/zinc/79/75/64/1187797564.db2.gz GUARADKHVJSOPM-UYTYNIKBSA-N 2 0 377.533 0.807 20 0 GCADRP O=C1C[C@@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C(=O)N1CCOCCO ZINC000685897130 1187798849 /nfs/dbraw/zinc/79/88/49/1187798849.db2.gz JCOHMOMVWMOWKK-GOSISDBHSA-N 2 0 381.517 0.711 20 0 GCADRP C[NH+]1CCC(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000892594452 1187805567 /nfs/dbraw/zinc/80/55/67/1187805567.db2.gz LVBFMRYUUDUAAX-UHFFFAOYSA-N 2 0 381.546 0.465 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000658993587 1187835330 /nfs/dbraw/zinc/83/53/30/1187835330.db2.gz KXCKEOPYLYQZLJ-UHFFFAOYSA-N 2 0 376.505 0.621 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000659027306 1187846428 /nfs/dbraw/zinc/84/64/28/1187846428.db2.gz MERHTYMRMMFCAP-UHFFFAOYSA-N 2 0 380.533 0.500 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC1 ZINC000659027315 1187846489 /nfs/dbraw/zinc/84/64/89/1187846489.db2.gz QFRHNDUYITWKGD-SFHVURJKSA-N 2 0 379.549 0.168 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000659090156 1187873550 /nfs/dbraw/zinc/87/35/50/1187873550.db2.gz JILVACJUGIOXJS-INIZCTEOSA-N 2 0 376.505 0.621 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000105322954 1187879007 /nfs/dbraw/zinc/87/90/07/1187879007.db2.gz HSPSMMRGIPTXBW-KZNAEPCWSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647597066 1187907003 /nfs/dbraw/zinc/90/70/03/1187907003.db2.gz IUZFUXFEFVQZNV-HZPDHXFCSA-N 2 0 375.517 0.789 20 0 GCADRP CCN1CCN(C(=O)CC2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)CC1 ZINC000376519807 1187907486 /nfs/dbraw/zinc/90/74/86/1187907486.db2.gz SQRXAJWORXMHLH-IBGZPJMESA-N 2 0 397.560 0.809 20 0 GCADRP CN(C(=O)c1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000659287825 1187925295 /nfs/dbraw/zinc/92/52/95/1187925295.db2.gz UUDCICGRKJIQSY-INIZCTEOSA-N 2 0 385.472 0.655 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344785 1187945818 /nfs/dbraw/zinc/94/58/18/1187945818.db2.gz KQXDZUBIZRMBLL-RBUKOAKNSA-N 2 0 391.560 0.310 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)CC2)c1 ZINC000659344484 1187946867 /nfs/dbraw/zinc/94/68/67/1187946867.db2.gz WUOPAZZSYLGCAA-MRXNPFEDSA-N 2 0 389.500 0.728 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659450639 1187960204 /nfs/dbraw/zinc/96/02/04/1187960204.db2.gz CSBHHDDUWSBONR-UHFFFAOYSA-N 2 0 388.472 0.623 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000659456313 1187961151 /nfs/dbraw/zinc/96/11/51/1187961151.db2.gz KMEFWQJMGSJISM-ZFWWWQNUSA-N 2 0 380.493 0.577 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000659470460 1187962302 /nfs/dbraw/zinc/96/23/02/1187962302.db2.gz BUOBHWLVQHOAIQ-HUUCEWRRSA-N 2 0 378.477 0.208 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659581048 1187973112 /nfs/dbraw/zinc/97/31/12/1187973112.db2.gz HZPOXJDAPBMCSD-CGTJXYLNSA-N 2 0 391.491 0.768 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581310 1187973145 /nfs/dbraw/zinc/97/31/45/1187973145.db2.gz LBGCFXSQQPAFBA-QZTJIDSGSA-N 2 0 393.507 0.933 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659588010 1187973719 /nfs/dbraw/zinc/97/37/19/1187973719.db2.gz BWRYOUMPVJHBOH-QYZOEREBSA-N 2 0 375.492 0.960 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659588009 1187973741 /nfs/dbraw/zinc/97/37/41/1187973741.db2.gz BWRYOUMPVJHBOH-FHWLQOOXSA-N 2 0 375.492 0.960 20 0 GCADRP CN(CC[NH+](C)C1CC1)C(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC2)[nH]n1 ZINC000613597136 1187982042 /nfs/dbraw/zinc/98/20/42/1187982042.db2.gz QHBQZPXPFHWLHM-UHFFFAOYSA-N 2 0 376.505 0.742 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)[NH+](C)C)cc1OC ZINC000659673515 1187990858 /nfs/dbraw/zinc/99/08/58/1187990858.db2.gz KNVQNSDBUVGIQY-OAHLLOKOSA-N 2 0 392.500 0.810 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000659686813 1187997436 /nfs/dbraw/zinc/99/74/36/1187997436.db2.gz KGFYZLCLCIDHET-INIZCTEOSA-N 2 0 398.467 0.038 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000659689555 1187998255 /nfs/dbraw/zinc/99/82/55/1187998255.db2.gz CRDXCKOZGQZZBW-OAGGEKHMSA-N 2 0 376.501 0.636 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000659698627 1187999215 /nfs/dbraw/zinc/99/92/15/1187999215.db2.gz FTJMVCZFLABKDU-KRWDZBQOSA-N 2 0 375.517 0.347 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000659691217 1188000323 /nfs/dbraw/zinc/00/03/23/1188000323.db2.gz VTEPQCSDXMTZJN-OAHLLOKOSA-N 2 0 398.467 0.038 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000659706184 1188002653 /nfs/dbraw/zinc/00/26/53/1188002653.db2.gz FVCPHFCQSCJBQU-CZUORRHYSA-N 2 0 398.467 0.036 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659699566 1188002884 /nfs/dbraw/zinc/00/28/84/1188002884.db2.gz XTESIKOFIWBNJD-UHFFFAOYSA-N 2 0 389.544 0.506 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659699497 1188003330 /nfs/dbraw/zinc/00/33/30/1188003330.db2.gz UGCHSSIPFHXWNE-OKILXGFUSA-N 2 0 392.504 0.131 20 0 GCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659722647 1188007995 /nfs/dbraw/zinc/00/79/95/1188007995.db2.gz FLRKFBOCFPCFMT-UHFFFAOYSA-N 2 0 385.512 0.836 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000659740190 1188018935 /nfs/dbraw/zinc/01/89/35/1188018935.db2.gz FXGOULAVXQCUDY-UHOSZYNNSA-N 2 0 394.560 0.968 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415316116 1188032159 /nfs/dbraw/zinc/03/21/59/1188032159.db2.gz NIDXWNQADFMFRL-KRWDZBQOSA-N 2 0 389.500 0.565 20 0 GCADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000415323043 1188037857 /nfs/dbraw/zinc/03/78/57/1188037857.db2.gz FUZWAVHMOKTVPP-KRWDZBQOSA-N 2 0 387.484 0.918 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCN3CC[NH2+]CC3)cc2)C1 ZINC000415328352 1188039525 /nfs/dbraw/zinc/03/95/25/1188039525.db2.gz LTYAQJSDGWEOLY-QGZVFWFLSA-N 2 0 387.528 0.878 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415345016 1188054873 /nfs/dbraw/zinc/05/48/73/1188054873.db2.gz OXANOCUUUNVFJG-HNNXBMFYSA-N 2 0 389.500 0.596 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000415364286 1188059569 /nfs/dbraw/zinc/05/95/69/1188059569.db2.gz RUELQKGAHBXTHP-AWEZNQCLSA-N 2 0 389.456 0.305 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000415358938 1188060624 /nfs/dbraw/zinc/06/06/24/1188060624.db2.gz VCSUEFKFOMDXST-HNNXBMFYSA-N 2 0 375.473 0.256 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000415369229 1188062507 /nfs/dbraw/zinc/06/25/07/1188062507.db2.gz BMCUSTNTYFFDHK-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415380150 1188068809 /nfs/dbraw/zinc/06/88/09/1188068809.db2.gz PADAPMHTROCWBO-OAHLLOKOSA-N 2 0 389.500 0.644 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415383564 1188069456 /nfs/dbraw/zinc/06/94/56/1188069456.db2.gz TWXRBARSTBIVGZ-KRWDZBQOSA-N 2 0 389.500 0.565 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000415409132 1188072339 /nfs/dbraw/zinc/07/23/39/1188072339.db2.gz DFBLUXKJBSEZMI-INIZCTEOSA-N 2 0 375.517 0.734 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415426086 1188077483 /nfs/dbraw/zinc/07/74/83/1188077483.db2.gz LLBGOIXNFKYILW-AWEZNQCLSA-N 2 0 391.472 0.584 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415426087 1188077733 /nfs/dbraw/zinc/07/77/33/1188077733.db2.gz LLBGOIXNFKYILW-CQSZACIVSA-N 2 0 391.472 0.584 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000415492852 1188090544 /nfs/dbraw/zinc/09/05/44/1188090544.db2.gz LNBKBSPIGRVZBV-HNNXBMFYSA-N 2 0 375.473 0.704 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCO1 ZINC000415597843 1188117551 /nfs/dbraw/zinc/11/75/51/1188117551.db2.gz JZQBBIZTJXJPOT-QGZVFWFLSA-N 2 0 392.525 0.403 20 0 GCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1)C1CC1 ZINC000415721961 1188151259 /nfs/dbraw/zinc/15/12/59/1188151259.db2.gz GPPPVZNIQWMJAR-HXUWFJFHSA-N 2 0 399.539 0.768 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415747380 1188156755 /nfs/dbraw/zinc/15/67/55/1188156755.db2.gz OPOKAYKTSYGXDB-OALUTQOASA-N 2 0 399.539 0.831 20 0 GCADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415760148 1188158167 /nfs/dbraw/zinc/15/81/67/1188158167.db2.gz RQAVRLNVPYASRZ-GFCCVEGCSA-N 2 0 377.415 0.402 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000472893049 1188163035 /nfs/dbraw/zinc/16/30/35/1188163035.db2.gz AXKDXALNXADZMF-SFHVURJKSA-N 2 0 381.565 0.957 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000415834380 1189378001 /nfs/dbraw/zinc/37/80/01/1189378001.db2.gz ALHPDZVXKBMSSL-CABCVRRESA-N 2 0 389.500 0.959 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415843667 1189378676 /nfs/dbraw/zinc/37/86/76/1189378676.db2.gz YJHRLYXRZYPAKC-SFHVURJKSA-N 2 0 392.500 0.840 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415848314 1189380166 /nfs/dbraw/zinc/38/01/66/1189380166.db2.gz CVGYOELHJQQTCD-GOSISDBHSA-N 2 0 392.500 0.922 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472915281 1189384221 /nfs/dbraw/zinc/38/42/21/1189384221.db2.gz RKLUVWSTIMBZMB-ROUUACIJSA-N 2 0 381.565 0.813 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000415869286 1189388885 /nfs/dbraw/zinc/38/88/85/1189388885.db2.gz ZTXRXUSGKGWICL-HNNXBMFYSA-N 2 0 378.473 0.450 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)c(C)c2)CC1 ZINC000415871036 1189390201 /nfs/dbraw/zinc/39/02/01/1189390201.db2.gz UQNVOOIYBSBHGW-QGZVFWFLSA-N 2 0 389.500 0.180 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1F ZINC000415890100 1189395788 /nfs/dbraw/zinc/39/57/88/1189395788.db2.gz GZDGOUHXCRXWKL-ZIAGYGMSSA-N 2 0 378.448 0.773 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000415890099 1189395826 /nfs/dbraw/zinc/39/58/26/1189395826.db2.gz GZDGOUHXCRXWKL-UONOGXRCSA-N 2 0 378.448 0.773 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCO1 ZINC000415958659 1189409928 /nfs/dbraw/zinc/40/99/28/1189409928.db2.gz XHYISHWKEPZZFE-HNNXBMFYSA-N 2 0 377.493 0.509 20 0 GCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652693092 1189470180 /nfs/dbraw/zinc/47/01/80/1189470180.db2.gz LZYITVLZDYCIEJ-YQVWRLOYSA-N 2 0 392.544 0.722 20 0 GCADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000893230121 1189501027 /nfs/dbraw/zinc/50/10/27/1189501027.db2.gz AEKAPLYCAOUDAA-NJAFHUGGSA-N 2 0 381.542 0.688 20 0 GCADRP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363831365 1189511970 /nfs/dbraw/zinc/51/19/70/1189511970.db2.gz YKLYYTLPUIUUIU-FQEVSTJZSA-N 2 0 394.608 0.822 20 0 GCADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](C[NH3+])C1 ZINC000582052987 1189546328 /nfs/dbraw/zinc/54/63/28/1189546328.db2.gz ZATTZLGCMLBGMQ-YQQAZPJKSA-N 2 0 393.557 0.349 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000511577738 1189574985 /nfs/dbraw/zinc/57/49/85/1189574985.db2.gz SBTRNYDONYDNLX-AEFFLSMTSA-N 2 0 376.501 0.318 20 0 GCADRP CO[C@@H]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000416833026 1189587182 /nfs/dbraw/zinc/58/71/82/1189587182.db2.gz CCUYHSHUPGRAIL-VQTJNVASSA-N 2 0 389.544 0.952 20 0 GCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584584671 1189593728 /nfs/dbraw/zinc/59/37/28/1189593728.db2.gz CEQZFZNXSNZLSL-INIZCTEOSA-N 2 0 382.530 0.263 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000416935130 1189598391 /nfs/dbraw/zinc/59/83/91/1189598391.db2.gz AKEBZJLGQUUUKW-BBWFWOEESA-N 2 0 383.537 0.515 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000416963479 1189600687 /nfs/dbraw/zinc/60/06/87/1189600687.db2.gz ZGCZPEHBDFEMMB-DLBZAZTESA-N 2 0 375.521 0.805 20 0 GCADRP Cc1oc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363990393 1189604345 /nfs/dbraw/zinc/60/43/45/1189604345.db2.gz IHGVCOHPFJUWDO-CQSZACIVSA-N 2 0 384.502 0.476 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416981629 1189605434 /nfs/dbraw/zinc/60/54/34/1189605434.db2.gz VFKDNSPRROJPEA-HNNXBMFYSA-N 2 0 394.486 0.148 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000416997127 1189606667 /nfs/dbraw/zinc/60/66/67/1189606667.db2.gz VKYXVVSZANWAMH-IBGZPJMESA-N 2 0 375.517 0.612 20 0 GCADRP C[C@@H](O)C[C@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274437228 1189608121 /nfs/dbraw/zinc/60/81/21/1189608121.db2.gz WRZJFQCNRPDOHH-MJGOQNOKSA-N 2 0 391.516 0.775 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364000393 1189608196 /nfs/dbraw/zinc/60/81/96/1189608196.db2.gz FWNGZGZTDKIYJD-QZTJIDSGSA-N 2 0 381.565 0.813 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417030015 1189609870 /nfs/dbraw/zinc/60/98/70/1189609870.db2.gz VYFRXGNIYLMIHA-UHFFFAOYSA-N 2 0 388.560 0.793 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000417159105 1189626161 /nfs/dbraw/zinc/62/61/61/1189626161.db2.gz BUEDRKCJVRJIFD-WBVHZDCISA-N 2 0 379.480 0.925 20 0 GCADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612919685 1189653569 /nfs/dbraw/zinc/65/35/69/1189653569.db2.gz XCGIRAVDDFYRRF-VPSFDDGASA-N 2 0 387.532 0.991 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000364097705 1189653932 /nfs/dbraw/zinc/65/39/32/1189653932.db2.gz SLMSUYXMUUJBII-UHFFFAOYSA-N 2 0 384.488 0.178 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000431942217 1189655277 /nfs/dbraw/zinc/65/52/77/1189655277.db2.gz YRNIZLKUEACYQY-UHFFFAOYSA-N 2 0 397.564 0.779 20 0 GCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCN(C4CCOCC4)CC3)C2)CC1 ZINC000660207921 1189659326 /nfs/dbraw/zinc/65/93/26/1189659326.db2.gz IAGJPNRMGKYQPR-SFHVURJKSA-N 2 0 392.544 0.500 20 0 GCADRP O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000584779440 1189661155 /nfs/dbraw/zinc/66/11/55/1189661155.db2.gz AJAGQYDBLBHAEJ-INIZCTEOSA-N 2 0 399.499 0.566 20 0 GCADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C[NH2+]1 ZINC000417516879 1189675640 /nfs/dbraw/zinc/67/56/40/1189675640.db2.gz PDOGMEVBSJCSIL-IAGOWNOFSA-N 2 0 375.521 0.771 20 0 GCADRP [NH3+]CCN(CCO)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000417541732 1189679280 /nfs/dbraw/zinc/67/92/80/1189679280.db2.gz UAUZRPZJTTYIPT-UHFFFAOYSA-N 2 0 383.924 0.815 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000364165365 1189687227 /nfs/dbraw/zinc/68/72/27/1189687227.db2.gz PYSKJTPJTUHALT-SJORKVTESA-N 2 0 381.521 0.045 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@H](C)C1 ZINC000417669472 1189694189 /nfs/dbraw/zinc/69/41/89/1189694189.db2.gz LIGMWOGFAWYGBJ-KURKYZTESA-N 2 0 397.564 0.620 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000417669831 1189694210 /nfs/dbraw/zinc/69/42/10/1189694210.db2.gz MYIDGXRPVZEWEV-QRVBRYPASA-N 2 0 381.565 0.813 20 0 GCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000636535467 1189712180 /nfs/dbraw/zinc/71/21/80/1189712180.db2.gz DEHRXRNAJDJADM-IBGZPJMESA-N 2 0 375.517 0.300 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418076686 1189718847 /nfs/dbraw/zinc/71/88/47/1189718847.db2.gz ROGBBMAUWZPGLF-HXUWFJFHSA-N 2 0 389.544 0.872 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418078980 1189720287 /nfs/dbraw/zinc/72/02/87/1189720287.db2.gz XAPIXMYDYQOIAF-LJQANCHMSA-N 2 0 375.517 0.482 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418078979 1189720380 /nfs/dbraw/zinc/72/03/80/1189720380.db2.gz XAPIXMYDYQOIAF-IBGZPJMESA-N 2 0 375.517 0.482 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000660342455 1189722151 /nfs/dbraw/zinc/72/21/51/1189722151.db2.gz BIVVHASHVTVKOF-SJLPKXTDSA-N 2 0 376.501 0.171 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418114460 1189724408 /nfs/dbraw/zinc/72/44/08/1189724408.db2.gz LXHOCZSSCRQUTO-LMMKCTJWSA-N 2 0 377.533 0.949 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418299445 1189754070 /nfs/dbraw/zinc/75/40/70/1189754070.db2.gz NVHYNEVUYPGIRV-OAQYLSRUSA-N 2 0 389.544 0.560 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660493694 1189854450 /nfs/dbraw/zinc/85/44/50/1189854450.db2.gz FOYXSAUIMPBETI-LJQANCHMSA-N 2 0 395.592 0.805 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660582856 1189911599 /nfs/dbraw/zinc/91/15/99/1189911599.db2.gz AKSIIFQPXNKATP-ROUUACIJSA-N 2 0 379.549 0.995 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660864830 1189959082 /nfs/dbraw/zinc/95/90/82/1189959082.db2.gz PLGMIFXWMYCSRX-PMACEKPBSA-N 2 0 393.576 0.814 20 0 GCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900242 1189963743 /nfs/dbraw/zinc/96/37/43/1189963743.db2.gz KRLYUKOEVHYLNK-YLJYHZDGSA-N 2 0 378.517 0.111 20 0 GCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662756068 1190020106 /nfs/dbraw/zinc/02/01/06/1190020106.db2.gz HIUNWMYNQIFVOU-HNNXBMFYSA-N 2 0 384.488 0.992 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662757922 1190020881 /nfs/dbraw/zinc/02/08/81/1190020881.db2.gz MNFGRNKCCNEIRI-QFBILLFUSA-N 2 0 376.501 0.639 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662757924 1190021533 /nfs/dbraw/zinc/02/15/33/1190021533.db2.gz MNFGRNKCCNEIRI-VQIMIIECSA-N 2 0 376.501 0.639 20 0 GCADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000661441986 1190049255 /nfs/dbraw/zinc/04/92/55/1190049255.db2.gz JNCKASGWUOQFBG-MRXNPFEDSA-N 2 0 395.548 0.639 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000411021814 1193720339 /nfs/dbraw/zinc/72/03/39/1193720339.db2.gz IJIBDTOGQWNYFX-SJLPKXTDSA-N 2 0 380.533 0.639 20 0 GCADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000512665131 1193729578 /nfs/dbraw/zinc/72/95/78/1193729578.db2.gz DQSSIXKYNKTWTE-OALUTQOASA-N 2 0 383.581 0.939 20 0 GCADRP CC(C)OCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419227032 1193732639 /nfs/dbraw/zinc/73/26/39/1193732639.db2.gz JQFPHIPHANTSLT-UHFFFAOYSA-N 2 0 376.501 0.637 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419229110 1193736468 /nfs/dbraw/zinc/73/64/68/1193736468.db2.gz NQLDKIULPKTGHK-JFRXWTBNSA-N 2 0 388.512 0.445 20 0 GCADRP COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)CC2 ZINC000419228989 1193739115 /nfs/dbraw/zinc/73/91/15/1193739115.db2.gz HARGPRMABJYNGQ-MRXNPFEDSA-N 2 0 390.484 0.128 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664006018 1193751106 /nfs/dbraw/zinc/75/11/06/1193751106.db2.gz FUQCECRQXSUOEO-SFHVURJKSA-N 2 0 380.533 0.872 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)CC1 ZINC000433120812 1193754382 /nfs/dbraw/zinc/75/43/82/1193754382.db2.gz PDFBNBKPBCBBFS-LJQANCHMSA-N 2 0 384.484 1.409 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000509782891 1193756289 /nfs/dbraw/zinc/75/62/89/1193756289.db2.gz MTDXMZIPMCLBOE-UHFFFAOYSA-N 2 0 383.537 0.293 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000433131339 1193759783 /nfs/dbraw/zinc/75/97/83/1193759783.db2.gz KBZZTIONKRIXFO-OAHLLOKOSA-N 2 0 379.457 0.475 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000433137316 1193762716 /nfs/dbraw/zinc/76/27/16/1193762716.db2.gz SSWIBAPEKNGNBE-UHFFFAOYSA-N 3 0 379.549 0.346 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000433138136 1193763148 /nfs/dbraw/zinc/76/31/48/1193763148.db2.gz QZAGUEZVCPQLLU-GOSISDBHSA-N 2 0 388.512 0.986 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000419265407 1193774829 /nfs/dbraw/zinc/77/48/29/1193774829.db2.gz DREMPWBTCYTAIB-RTBURBONSA-N 2 0 388.512 0.863 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419274568 1193780901 /nfs/dbraw/zinc/78/09/01/1193780901.db2.gz BMWBYUWCAVVGMS-GDBMZVCRSA-N 2 0 391.491 0.704 20 0 GCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000509814057 1193784095 /nfs/dbraw/zinc/78/40/95/1193784095.db2.gz YVPJUJIDIAWOGA-AWEZNQCLSA-N 2 0 389.500 0.389 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419280820 1193785105 /nfs/dbraw/zinc/78/51/05/1193785105.db2.gz AOTQKXLSRIYMEU-GDBMZVCRSA-N 2 0 391.491 0.623 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512836633 1193786469 /nfs/dbraw/zinc/78/64/69/1193786469.db2.gz AIQNTRNXPSYUJX-UHFFFAOYSA-N 2 0 383.581 0.750 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419288270 1193786811 /nfs/dbraw/zinc/78/68/11/1193786811.db2.gz SLHZMUZULWQBMD-KGLIPLIRSA-N 2 0 379.480 0.466 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419299345 1193792386 /nfs/dbraw/zinc/79/23/86/1193792386.db2.gz JPFVNXSRFMDLEK-HNNXBMFYSA-N 2 0 393.507 1.000 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419299663 1193792743 /nfs/dbraw/zinc/79/27/43/1193792743.db2.gz KGCPSCPJAPNHQW-CQSZACIVSA-N 2 0 379.480 0.480 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419301400 1193795138 /nfs/dbraw/zinc/79/51/38/1193795138.db2.gz NWMSCYGBMZKRPP-ZBFHGGJFSA-N 2 0 391.491 0.623 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419301412 1193795351 /nfs/dbraw/zinc/79/53/51/1193795351.db2.gz NXGBJMRIBMGTFL-CQSZACIVSA-N 2 0 379.480 0.480 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419306918 1193798457 /nfs/dbraw/zinc/79/84/57/1193798457.db2.gz ZDAWLPFRPSXDPZ-CQSZACIVSA-N 2 0 379.480 0.480 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419327080 1193820982 /nfs/dbraw/zinc/82/09/82/1193820982.db2.gz CQQNHRGFRJNEDA-KRWDZBQOSA-N 2 0 376.501 0.973 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000419330026 1193822241 /nfs/dbraw/zinc/82/22/41/1193822241.db2.gz FXOCTOAUFGXQLX-QGZVFWFLSA-N 2 0 389.544 0.555 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000433395944 1193825365 /nfs/dbraw/zinc/82/53/65/1193825365.db2.gz BUQCVPOYUFANBO-IRXDYDNUSA-N 2 0 383.537 0.374 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419338636 1193832092 /nfs/dbraw/zinc/83/20/92/1193832092.db2.gz LSEAREVTOFEYIH-MRXNPFEDSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000419342952 1193833655 /nfs/dbraw/zinc/83/36/55/1193833655.db2.gz QDAVYOSBAIOGMM-LJQANCHMSA-N 2 0 387.528 0.294 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419341598 1193834377 /nfs/dbraw/zinc/83/43/77/1193834377.db2.gz OJWYPVUHBGWGHE-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000419343054 1193836734 /nfs/dbraw/zinc/83/67/34/1193836734.db2.gz QLSKJHWJIWHPQM-UHFFFAOYSA-N 2 0 387.528 0.262 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419344039 1193837152 /nfs/dbraw/zinc/83/71/52/1193837152.db2.gz RNQGUZKEUUQXNO-KRWDZBQOSA-N 2 0 387.528 0.261 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000419345609 1193839937 /nfs/dbraw/zinc/83/99/37/1193839937.db2.gz UGPSUYAERYDENB-UHFFFAOYSA-N 2 0 389.544 0.508 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000419348184 1193844232 /nfs/dbraw/zinc/84/42/32/1193844232.db2.gz XQBVFAGDMAVQRM-VQIMIIECSA-N 2 0 387.528 0.246 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccsc1 ZINC000419367640 1193868919 /nfs/dbraw/zinc/86/89/19/1193868919.db2.gz DMNQVWIQEJMXRP-CVEARBPZSA-N 2 0 382.530 0.823 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000419367572 1193869028 /nfs/dbraw/zinc/86/90/28/1193869028.db2.gz DGRSYSNIKXLDEC-CVEARBPZSA-N 2 0 382.530 0.742 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419375079 1193878266 /nfs/dbraw/zinc/87/82/66/1193878266.db2.gz PYBCEZXOULWDQV-IPMKNSEASA-N 2 0 384.524 0.706 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419375078 1193878714 /nfs/dbraw/zinc/87/87/14/1193878714.db2.gz PYBCEZXOULWDQV-GUDVDZBRSA-N 2 0 384.524 0.706 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)c2)C1 ZINC000261883627 1193929939 /nfs/dbraw/zinc/92/99/39/1193929939.db2.gz UVKCOKUEXGKARY-OALUTQOASA-N 2 0 388.512 0.754 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000433824460 1193951392 /nfs/dbraw/zinc/95/13/92/1193951392.db2.gz UYEBHTVJHNTBHO-IBGZPJMESA-N 2 0 380.581 0.432 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513475494 1193955250 /nfs/dbraw/zinc/95/52/50/1193955250.db2.gz KJYCQLUCOAAJIC-FGTMMUONSA-N 2 0 395.592 0.563 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000513491756 1193956181 /nfs/dbraw/zinc/95/61/81/1193956181.db2.gz JHFPBTBMOWQALY-HOTGVXAUSA-N 2 0 382.549 0.791 20 0 GCADRP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000664218569 1193970422 /nfs/dbraw/zinc/97/04/22/1193970422.db2.gz FDPNNJIQXUVHLY-RBUKOAKNSA-N 2 0 381.565 0.766 20 0 GCADRP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC[C@@H](C(=O)NCC[NH+]2CC=CCC2)O1 ZINC000280372732 1193989877 /nfs/dbraw/zinc/98/98/77/1193989877.db2.gz ZBKWGPZXKAJJMT-HDICACEKSA-N 2 0 376.501 0.290 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC[NH2+]1 ZINC000419404527 1194021150 /nfs/dbraw/zinc/02/11/50/1194021150.db2.gz TXMQTSLOBPGRDR-NVXWUHKLSA-N 2 0 376.526 0.541 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419404595 1194021189 /nfs/dbraw/zinc/02/11/89/1194021189.db2.gz UBYQXNMAHTYESU-KBAYOESNSA-N 2 0 390.553 0.916 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419419315 1194022377 /nfs/dbraw/zinc/02/23/77/1194022377.db2.gz JEDDCUAGGPIJJD-MAUKXSAKSA-N 2 0 388.512 0.780 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419421642 1194023640 /nfs/dbraw/zinc/02/36/40/1194023640.db2.gz OYKOHNOYKUJBDR-GOSISDBHSA-N 2 0 387.528 0.383 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424768 1194025099 /nfs/dbraw/zinc/02/50/99/1194025099.db2.gz URIJZWRCRNDJAS-RBUKOAKNSA-N 2 0 387.528 0.431 20 0 GCADRP C[C@@H](Cn1cccn1)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419424401 1194025188 /nfs/dbraw/zinc/02/51/88/1194025188.db2.gz NXYKGVSVWBNGNZ-KRWDZBQOSA-N 2 0 398.511 0.498 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419423483 1194025763 /nfs/dbraw/zinc/02/57/63/1194025763.db2.gz RSXTYLMZPFOZFU-ROUUACIJSA-N 2 0 387.528 0.524 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425552 1194026013 /nfs/dbraw/zinc/02/60/13/1194026013.db2.gz VZEPGKJABWPLMG-RTBURBONSA-N 2 0 389.544 0.581 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419425425 1194026210 /nfs/dbraw/zinc/02/62/10/1194026210.db2.gz VQEYACBAJLTJIX-QGZVFWFLSA-N 2 0 375.517 0.164 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427513 1194026265 /nfs/dbraw/zinc/02/62/65/1194026265.db2.gz ZBSIBXOAFLWOPK-WMZOPIPTSA-N 2 0 375.517 0.287 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419427563 1194026514 /nfs/dbraw/zinc/02/65/14/1194026514.db2.gz ZGRXWXUJQPAEIL-UHFFFAOYSA-N 2 0 387.528 0.525 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419427540 1194026560 /nfs/dbraw/zinc/02/65/60/1194026560.db2.gz ZELWUSPYLGFYDB-GOSISDBHSA-N 2 0 389.544 0.805 20 0 GCADRP CC(C)([NH3+])CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419425592 1194026791 /nfs/dbraw/zinc/02/67/91/1194026791.db2.gz WCSMDAUEDHJLKP-UHFFFAOYSA-N 2 0 375.517 0.164 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427138 1194027406 /nfs/dbraw/zinc/02/74/06/1194027406.db2.gz YOICSTYSWLJREV-AEFFLSMTSA-N 2 0 375.517 0.192 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427176 1194027738 /nfs/dbraw/zinc/02/77/38/1194027738.db2.gz YTUZSNOGOCLUBF-MOPGFXCFSA-N 2 0 387.528 0.335 20 0 GCADRP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409197 1194028591 /nfs/dbraw/zinc/02/85/91/1194028591.db2.gz DUCOGKQXQVPIIQ-QYZOEREBSA-N 2 0 388.512 0.732 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000419410395 1194028648 /nfs/dbraw/zinc/02/86/48/1194028648.db2.gz AJBXMSIGFVUDES-HDICACEKSA-N 2 0 387.528 0.524 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419411404 1194029669 /nfs/dbraw/zinc/02/96/69/1194029669.db2.gz BNHMPGPNGLRHNN-SFHVURJKSA-N 2 0 375.517 0.337 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411948 1194030219 /nfs/dbraw/zinc/03/02/19/1194030219.db2.gz CJHGETAAOQRYBA-MOPGFXCFSA-N 2 0 387.528 0.335 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419414004 1194031447 /nfs/dbraw/zinc/03/14/47/1194031447.db2.gz GLMCYZQDQZYAFP-NRFANRHFSA-N 2 0 387.528 0.512 20 0 GCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419475678 1194039193 /nfs/dbraw/zinc/03/91/93/1194039193.db2.gz OJPYAKDHWMTWHP-QRQLOZEOSA-N 2 0 388.512 0.589 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419480882 1194040358 /nfs/dbraw/zinc/04/03/58/1194040358.db2.gz NSUWMOALMNTTKX-DLBZAZTESA-N 2 0 395.548 0.071 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000419499796 1194045962 /nfs/dbraw/zinc/04/59/62/1194045962.db2.gz CMRMKTCMDFVQHS-KRWDZBQOSA-N 2 0 375.517 0.429 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000419509546 1194048228 /nfs/dbraw/zinc/04/82/28/1194048228.db2.gz TZXOWMLZOGCDPZ-UHFFFAOYSA-N 2 0 392.500 0.210 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H](C[NH3+])C1 ZINC000419530682 1194049799 /nfs/dbraw/zinc/04/97/99/1194049799.db2.gz JWUCVUPBEMHUEJ-QXCFHYIPSA-N 2 0 388.512 0.588 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000419513038 1194051682 /nfs/dbraw/zinc/05/16/82/1194051682.db2.gz LDMASCRCBWPONO-GOSISDBHSA-N 2 0 387.528 0.444 20 0 GCADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000419514683 1194051971 /nfs/dbraw/zinc/05/19/71/1194051971.db2.gz PJKCCESUGOMXCA-HOTGVXAUSA-N 2 0 379.505 0.619 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000419518552 1194052490 /nfs/dbraw/zinc/05/24/90/1194052490.db2.gz YYCNDXGUQSYKEG-KRWDZBQOSA-N 2 0 375.517 0.477 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000419517400 1194052571 /nfs/dbraw/zinc/05/25/71/1194052571.db2.gz WTDGXYOPTNTRNN-UHFFFAOYSA-N 2 0 387.528 0.445 20 0 GCADRP CCC[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1CCOC ZINC000501079364 1194052897 /nfs/dbraw/zinc/05/28/97/1194052897.db2.gz ZSEXQUBWBRKVTG-MSOLQXFVSA-N 2 0 397.564 0.716 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419535965 1194054763 /nfs/dbraw/zinc/05/47/63/1194054763.db2.gz LQEHFIGKSZRNMU-WMZOPIPTSA-N 2 0 376.501 0.619 20 0 GCADRP C[C@H](CO)CCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419574464 1194059189 /nfs/dbraw/zinc/05/91/89/1194059189.db2.gz SMGDRLCLGHJQIP-KRWDZBQOSA-N 2 0 390.528 0.621 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCSC1 ZINC000419579351 1194059717 /nfs/dbraw/zinc/05/97/17/1194059717.db2.gz HAFCXCRUOSYWLW-GMBSWORKSA-N 2 0 394.516 0.632 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCSC1 ZINC000419577737 1194060098 /nfs/dbraw/zinc/06/00/98/1194060098.db2.gz DWGLSLQSTUFILU-GJYPPUQNSA-N 2 0 398.573 0.285 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000419560704 1194060740 /nfs/dbraw/zinc/06/07/40/1194060740.db2.gz RKRXSVDVYOOEEK-FZDIXFNVSA-N 2 0 388.512 0.856 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000419585575 1194065087 /nfs/dbraw/zinc/06/50/87/1194065087.db2.gz GDMYHVBEFLHKOO-BRWVUGGUSA-N 2 0 390.528 0.775 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000419585576 1194065190 /nfs/dbraw/zinc/06/51/90/1194065190.db2.gz GDMYHVBEFLHKOO-IXDOHACOSA-N 2 0 390.528 0.775 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419588136 1194066319 /nfs/dbraw/zinc/06/63/19/1194066319.db2.gz FMFJBUBVGSMFIG-GOSISDBHSA-N 2 0 390.528 0.893 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419594718 1194067543 /nfs/dbraw/zinc/06/75/43/1194067543.db2.gz UYPWPQDQIQHJJZ-KURKYZTESA-N 2 0 380.533 0.722 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419595851 1194068131 /nfs/dbraw/zinc/06/81/31/1194068131.db2.gz XKMWBJGADKRYNQ-FGTMMUONSA-N 2 0 380.533 0.722 20 0 GCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419597323 1194068386 /nfs/dbraw/zinc/06/83/86/1194068386.db2.gz GRBMPKRLIJFITB-GOSISDBHSA-N 2 0 388.512 0.599 20 0 GCADRP C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C(=O)N(C)CC[NH3+])cc2)C[C@H]1C ZINC000419601566 1194069726 /nfs/dbraw/zinc/06/97/26/1194069726.db2.gz WTPMZKNZKHELRD-CALCHBBNSA-N 2 0 390.528 0.729 20 0 GCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419653806 1194074131 /nfs/dbraw/zinc/07/41/31/1194074131.db2.gz RIFYMSHFYGBZGD-WBVHZDCISA-N 2 0 376.501 0.808 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000419650976 1194076865 /nfs/dbraw/zinc/07/68/65/1194076865.db2.gz DDOQJCRTIHIWKX-NEWSRXKRSA-N 2 0 388.512 0.732 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000419663502 1194077461 /nfs/dbraw/zinc/07/74/61/1194077461.db2.gz QEJMEGZPMBWOCO-RDJZCZTQSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419663779 1194077658 /nfs/dbraw/zinc/07/76/58/1194077658.db2.gz QPWLLHDCHPOJOX-HKUYNNGSSA-N 2 0 387.528 0.177 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000419666321 1194078270 /nfs/dbraw/zinc/07/82/70/1194078270.db2.gz WAECBOOBDMEIRM-ZWKOTPCHSA-N 2 0 388.512 0.701 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000419667840 1194078673 /nfs/dbraw/zinc/07/86/73/1194078673.db2.gz SUVIKVOKNUALKP-ZWKOTPCHSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000419668428 1194078806 /nfs/dbraw/zinc/07/88/06/1194078806.db2.gz YHWLWMBCNBIHJH-CVEARBPZSA-N 2 0 376.501 0.842 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000419671487 1194079227 /nfs/dbraw/zinc/07/92/27/1194079227.db2.gz HDJRHSOPECQZNM-UHFFFAOYSA-N 2 0 379.549 0.170 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000419676760 1194080095 /nfs/dbraw/zinc/08/00/95/1194080095.db2.gz BSQCCRXNFCPINW-JKSUJKDBSA-N 2 0 382.574 0.969 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419689806 1194085528 /nfs/dbraw/zinc/08/55/28/1194085528.db2.gz BBOGLTSCQXMLGO-NXHRZFHOSA-N 2 0 390.528 0.347 20 0 GCADRP C[C@@H](Cn1ccnc1)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419692401 1194086430 /nfs/dbraw/zinc/08/64/30/1194086430.db2.gz YEYYOVHKDPRIKK-KRWDZBQOSA-N 2 0 398.511 0.498 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CCCC1 ZINC000419697675 1194087419 /nfs/dbraw/zinc/08/74/19/1194087419.db2.gz QXHIDQGQHMUXBF-ROUUACIJSA-N 2 0 380.533 0.722 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419698400 1194087513 /nfs/dbraw/zinc/08/75/13/1194087513.db2.gz ZGERZMBSPDINFU-GVDBMIGSSA-N 2 0 394.585 0.969 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CCCC1 ZINC000419697673 1194087680 /nfs/dbraw/zinc/08/76/80/1194087680.db2.gz QXHIDQGQHMUXBF-MSOLQXFVSA-N 2 0 380.533 0.722 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419735403 1194088046 /nfs/dbraw/zinc/08/80/46/1194088046.db2.gz QHFZCNLKRQAUKZ-QRVBRYPASA-N 2 0 392.544 0.864 20 0 GCADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419721939 1194092979 /nfs/dbraw/zinc/09/29/79/1194092979.db2.gz CUMXXNWOMSQWKY-KRWDZBQOSA-N 2 0 387.528 0.350 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419740637 1194093928 /nfs/dbraw/zinc/09/39/28/1194093928.db2.gz HNKVQHUUNBVIAM-OAHLLOKOSA-N 2 0 395.935 0.774 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419742676 1194094893 /nfs/dbraw/zinc/09/48/93/1194094893.db2.gz FARTXJSWBLDLAM-SFHVURJKSA-N 2 0 390.528 0.749 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CCCC2)CC1 ZINC000419750833 1194096667 /nfs/dbraw/zinc/09/66/67/1194096667.db2.gz JEAUPOPWZBKQRP-DLBZAZTESA-N 2 0 392.544 0.594 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419751013 1194097026 /nfs/dbraw/zinc/09/70/26/1194097026.db2.gz TYFMTQCZCWMFIP-SFHVURJKSA-N 2 0 390.528 0.893 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000419755997 1194097716 /nfs/dbraw/zinc/09/77/16/1194097716.db2.gz ROLPZPAFBVXRDD-MRXNPFEDSA-N 2 0 380.533 0.737 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000419760275 1194100794 /nfs/dbraw/zinc/10/07/94/1194100794.db2.gz ZIXVMSDBNOKGIP-SFHVURJKSA-N 2 0 394.560 0.983 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000419762588 1194101577 /nfs/dbraw/zinc/10/15/77/1194101577.db2.gz MEULSCQMGOOTEN-IBGZPJMESA-N 2 0 387.528 0.035 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419777849 1194104208 /nfs/dbraw/zinc/10/42/08/1194104208.db2.gz NSXDMHGPCKIBNQ-PBHICJAKSA-N 2 0 398.454 0.221 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C(C)C ZINC000419794905 1194105112 /nfs/dbraw/zinc/10/51/12/1194105112.db2.gz HYLMYSJFDHXECI-MSOLQXFVSA-N 2 0 382.549 0.966 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000419799787 1194105837 /nfs/dbraw/zinc/10/58/37/1194105837.db2.gz FPJPAJBEDOCRLG-UHFFFAOYSA-N 2 0 393.576 0.640 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000419812533 1194113011 /nfs/dbraw/zinc/11/30/11/1194113011.db2.gz GMAZVIFGJRCSNQ-NXHRZFHOSA-N 2 0 380.533 0.579 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419848188 1194113588 /nfs/dbraw/zinc/11/35/88/1194113588.db2.gz UCLPRFMNSFPILT-MSOLQXFVSA-N 2 0 381.565 0.508 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000419847839 1194113829 /nfs/dbraw/zinc/11/38/29/1194113829.db2.gz JPUBMIHKGOJEJT-UHFFFAOYSA-N 2 0 391.516 0.001 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419839906 1194118692 /nfs/dbraw/zinc/11/86/92/1194118692.db2.gz YVUITUOTHQFIIP-WMZOPIPTSA-N 2 0 375.517 0.192 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419858019 1194123063 /nfs/dbraw/zinc/12/30/63/1194123063.db2.gz KVNGCUTUNAXZAX-AWEZNQCLSA-N 2 0 382.455 0.971 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419858433 1194123137 /nfs/dbraw/zinc/12/31/37/1194123137.db2.gz WNFDOMHRHHLQNA-GOSISDBHSA-N 2 0 381.565 0.271 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858418 1194123142 /nfs/dbraw/zinc/12/31/42/1194123142.db2.gz LUBLFODBAROKRI-OAHLLOKOSA-N 2 0 382.455 0.971 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000419861078 1194124262 /nfs/dbraw/zinc/12/42/62/1194124262.db2.gz DEWWWYFFFAQWCH-MRXNPFEDSA-N 2 0 393.557 0.413 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863718 1194125775 /nfs/dbraw/zinc/12/57/75/1194125775.db2.gz IBGFZKPUSUGMKU-PKOBYXMFSA-N 2 0 387.528 0.035 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868190 1194126848 /nfs/dbraw/zinc/12/68/48/1194126848.db2.gz LRTNHMKNRHDJCV-QZTJIDSGSA-N 2 0 379.549 0.121 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419866775 1194126930 /nfs/dbraw/zinc/12/69/30/1194126930.db2.gz ASOVPMSYDCXZNR-PKOBYXMFSA-N 2 0 394.560 0.842 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419869734 1194127445 /nfs/dbraw/zinc/12/74/45/1194127445.db2.gz JQOHXHJCEJYMKQ-NZSAHSFTSA-N 2 0 388.512 0.857 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419869729 1194127485 /nfs/dbraw/zinc/12/74/85/1194127485.db2.gz JQOHXHJCEJYMKQ-NEWSRXKRSA-N 2 0 388.512 0.857 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419874512 1194129490 /nfs/dbraw/zinc/12/94/90/1194129490.db2.gz ZUEUGJOLNSCQLH-SCTDSRPQSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419877057 1194130060 /nfs/dbraw/zinc/13/00/60/1194130060.db2.gz WLWLYOPRHJWJEO-RBUKOAKNSA-N 2 0 393.576 0.511 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419878243 1194130281 /nfs/dbraw/zinc/13/02/81/1194130281.db2.gz FZPYTLOIQQMANF-SFNKJDCFSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419886115 1194133117 /nfs/dbraw/zinc/13/31/17/1194133117.db2.gz KLHMQXKFLSMTPT-ZSYWTGECSA-N 2 0 393.576 0.508 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419896982 1194135881 /nfs/dbraw/zinc/13/58/81/1194135881.db2.gz VEJHSLSZXOOMQJ-MSOLQXFVSA-N 2 0 381.565 0.508 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000419905693 1194136208 /nfs/dbraw/zinc/13/62/08/1194136208.db2.gz WIFWBZLNTNTMAA-OALUTQOASA-N 2 0 388.512 0.811 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419898461 1194136839 /nfs/dbraw/zinc/13/68/39/1194136839.db2.gz QYFPWGNVJOXHRH-MSOLQXFVSA-N 2 0 393.576 0.508 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000419906731 1194140943 /nfs/dbraw/zinc/14/09/43/1194140943.db2.gz WZDCPOLUGFVYFQ-NZSAHSFTSA-N 2 0 388.512 0.810 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000419906733 1194141071 /nfs/dbraw/zinc/14/10/71/1194141071.db2.gz WZDCPOLUGFVYFQ-YTQUADARSA-N 2 0 388.512 0.810 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000419908124 1194141182 /nfs/dbraw/zinc/14/11/82/1194141182.db2.gz YFESZVYUAHEDPP-OALUTQOASA-N 2 0 388.512 0.810 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419956385 1194144158 /nfs/dbraw/zinc/14/41/58/1194144158.db2.gz ALGXWXVMFFUIDX-QZTJIDSGSA-N 2 0 382.549 0.970 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419942563 1194146424 /nfs/dbraw/zinc/14/64/24/1194146424.db2.gz GCFRTUGJMKJBHD-UZLBHIALSA-N 2 0 376.501 0.054 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419984793 1194147560 /nfs/dbraw/zinc/14/75/60/1194147560.db2.gz AKHZPKBJFFHNET-KRWDZBQOSA-N 2 0 375.517 0.116 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419960516 1194148112 /nfs/dbraw/zinc/14/81/12/1194148112.db2.gz WGAFXBDYQDYCJI-FUHWJXTLSA-N 2 0 375.517 0.866 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000419965840 1194148942 /nfs/dbraw/zinc/14/89/42/1194148942.db2.gz KJSDYPRZJIQHBY-NEWSRXKRSA-N 2 0 393.576 0.495 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419968931 1194149450 /nfs/dbraw/zinc/14/94/50/1194149450.db2.gz FJGKEYSUAZZJAR-GOSISDBHSA-N 2 0 382.549 0.827 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419973241 1194150173 /nfs/dbraw/zinc/15/01/73/1194150173.db2.gz HKFCZDHZCGBDHC-WDSOQIARSA-N 3 0 395.592 0.754 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419976999 1194151141 /nfs/dbraw/zinc/15/11/41/1194151141.db2.gz MGFVQLQPYBSUJM-KSZLIROESA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419978620 1194151450 /nfs/dbraw/zinc/15/14/50/1194151450.db2.gz OLFGUTIDISBOLK-KZNAEPCWSA-N 2 0 381.565 0.493 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419981257 1194151930 /nfs/dbraw/zinc/15/19/30/1194151930.db2.gz TWTFHOTZLGDALU-NQIIRXRSSA-N 2 0 390.528 0.571 20 0 GCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419988601 1194153471 /nfs/dbraw/zinc/15/34/71/1194153471.db2.gz ZTPHAQNYNJUQJD-ROUUACIJSA-N 2 0 379.549 0.121 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419996065 1194154624 /nfs/dbraw/zinc/15/46/24/1194154624.db2.gz MYAGYUYLVRQAEV-KBAYOESNSA-N 2 0 381.565 0.636 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419996937 1194154919 /nfs/dbraw/zinc/15/49/19/1194154919.db2.gz JKPUCKXNUWBKAL-CEXWTWQISA-N 2 0 393.576 0.509 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000420004708 1194156234 /nfs/dbraw/zinc/15/62/34/1194156234.db2.gz ZMLDHZIAFCMYDG-MRXNPFEDSA-N 2 0 391.516 0.129 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000420032404 1194160891 /nfs/dbraw/zinc/16/08/91/1194160891.db2.gz HYIRBRRKGFINLP-APHBMKBZSA-N 2 0 380.464 0.774 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000420032408 1194161080 /nfs/dbraw/zinc/16/10/80/1194161080.db2.gz HYIRBRRKGFINLP-RCBQFDQVSA-N 2 0 380.464 0.774 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000420011876 1194161391 /nfs/dbraw/zinc/16/13/91/1194161391.db2.gz HFNUGFCGLPMXEH-IEBWSBKVSA-N 2 0 393.576 0.637 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000420011878 1194161460 /nfs/dbraw/zinc/16/14/60/1194161460.db2.gz HFNUGFCGLPMXEH-PKOBYXMFSA-N 2 0 393.576 0.637 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420019559 1194163325 /nfs/dbraw/zinc/16/33/25/1194163325.db2.gz RFJGANLNJUXOHW-QRVBRYPASA-N 2 0 395.592 0.882 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420062787 1194165005 /nfs/dbraw/zinc/16/50/05/1194165005.db2.gz NCQTYWXXPRELLV-WMLDXEAASA-N 2 0 394.491 0.945 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420062780 1194165066 /nfs/dbraw/zinc/16/50/66/1194165066.db2.gz NCQTYWXXPRELLV-PBHICJAKSA-N 2 0 394.491 0.945 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420038946 1194166293 /nfs/dbraw/zinc/16/62/93/1194166293.db2.gz NKMVJZDCNYDGJV-OAGGEKHMSA-N 2 0 384.521 0.175 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420039543 1194166410 /nfs/dbraw/zinc/16/64/10/1194166410.db2.gz JJWJQSFEUUWHDK-UHFFFAOYSA-N 2 0 394.560 0.986 20 0 GCADRP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420046373 1194168184 /nfs/dbraw/zinc/16/81/84/1194168184.db2.gz AAOGJNJDFBJKGB-IRXDYDNUSA-N 2 0 381.565 0.636 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)CC1 ZINC000420079543 1194173961 /nfs/dbraw/zinc/17/39/61/1194173961.db2.gz FHWJWCPVFPPYNL-UHFFFAOYSA-N 2 0 393.576 0.509 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420098725 1194177326 /nfs/dbraw/zinc/17/73/26/1194177326.db2.gz MAPNXDDZBOEJAX-UHFFFAOYSA-N 2 0 382.549 0.971 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420114095 1194179682 /nfs/dbraw/zinc/17/96/82/1194179682.db2.gz FPTJGXVGXKETNX-BRSBDYLESA-N 2 0 379.549 0.260 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000420106713 1194180134 /nfs/dbraw/zinc/18/01/34/1194180134.db2.gz UZLAVLACCNFQTR-IBGZPJMESA-N 2 0 388.512 0.865 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420111497 1194181250 /nfs/dbraw/zinc/18/12/50/1194181250.db2.gz CSZDCFCTOYINLA-FUHWJXTLSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420090673 1194182333 /nfs/dbraw/zinc/18/23/33/1194182333.db2.gz DXVZNXQJSIVOKX-OPYAIIAOSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000420136969 1194184672 /nfs/dbraw/zinc/18/46/72/1194184672.db2.gz WPNIVUVAPNGNRA-VUHPKUFZSA-N 2 0 394.560 0.981 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420125441 1194188971 /nfs/dbraw/zinc/18/89/71/1194188971.db2.gz PVOHTFHNXLIBQF-RXVVDRJESA-N 2 0 390.528 0.716 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000420162363 1194191910 /nfs/dbraw/zinc/19/19/10/1194191910.db2.gz KKLAUNUDPBIYLT-FGTMMUONSA-N 2 0 393.576 0.365 20 0 GCADRP COc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000420142152 1194192400 /nfs/dbraw/zinc/19/24/00/1194192400.db2.gz ZVUSTYJQBBCRNQ-WMZOPIPTSA-N 2 0 388.512 0.986 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN1C1CC[NH+](C)CC1 ZINC000420154511 1194194883 /nfs/dbraw/zinc/19/48/83/1194194883.db2.gz CEYIBOIIYGFPBS-FUHWJXTLSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420154918 1194195145 /nfs/dbraw/zinc/19/51/45/1194195145.db2.gz CPRPQTRMQXPJSV-RDJZCZTQSA-N 2 0 382.549 0.432 20 0 GCADRP CCN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420178890 1194195898 /nfs/dbraw/zinc/19/58/98/1194195898.db2.gz BFRHEMUAPOTNBC-RBUKOAKNSA-N 2 0 388.512 0.604 20 0 GCADRP CCN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420178891 1194196104 /nfs/dbraw/zinc/19/61/04/1194196104.db2.gz BFRHEMUAPOTNBC-RTBURBONSA-N 2 0 388.512 0.604 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420184714 1194198459 /nfs/dbraw/zinc/19/84/59/1194198459.db2.gz BAQYTMTTZRHGLT-MSOLQXFVSA-N 2 0 382.549 0.827 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000420169552 1194200339 /nfs/dbraw/zinc/20/03/39/1194200339.db2.gz QNLALABTEUHKKH-KRWDZBQOSA-N 2 0 376.501 0.462 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420170241 1194200353 /nfs/dbraw/zinc/20/03/53/1194200353.db2.gz XDZDDQBSPFZPMG-QZTJIDSGSA-N 2 0 391.560 0.429 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171516 1194200376 /nfs/dbraw/zinc/20/03/76/1194200376.db2.gz UBUNXGBJBRMKAN-QGZVFWFLSA-N 2 0 381.565 0.365 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420186772 1194201125 /nfs/dbraw/zinc/20/11/25/1194201125.db2.gz QMBMQMKZCFTPIU-QGZVFWFLSA-N 2 0 376.501 0.462 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420186770 1194201377 /nfs/dbraw/zinc/20/13/77/1194201377.db2.gz QMBMQMKZCFTPIU-KRWDZBQOSA-N 2 0 376.501 0.462 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000420174188 1194201608 /nfs/dbraw/zinc/20/16/08/1194201608.db2.gz YFQFZKDHLDHHPB-IRXDYDNUSA-N 2 0 379.549 0.119 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2CCO[C@H](CF)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420198353 1194202282 /nfs/dbraw/zinc/20/22/82/1194202282.db2.gz CFKAKRVUTJGQGY-QGZVFWFLSA-N 2 0 392.475 0.293 20 0 GCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420198988 1194202365 /nfs/dbraw/zinc/20/23/65/1194202365.db2.gz MYRIHKUXCMUVJN-MOPGFXCFSA-N 2 0 388.512 0.462 20 0 GCADRP CC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000420202480 1194203555 /nfs/dbraw/zinc/20/35/55/1194203555.db2.gz JIPWQHUMVDOWGS-GOSISDBHSA-N 2 0 388.512 0.734 20 0 GCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420204028 1194204696 /nfs/dbraw/zinc/20/46/96/1194204696.db2.gz QQHMGMUHUTYOAC-OAHLLOKOSA-N 2 0 382.530 0.523 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420203819 1194204715 /nfs/dbraw/zinc/20/47/15/1194204715.db2.gz ZWCSNVMPXHZZRZ-GOSISDBHSA-N 2 0 398.548 0.078 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000420203899 1194204737 /nfs/dbraw/zinc/20/47/37/1194204737.db2.gz LLWYFULBJBURKR-GVDBMIGSSA-N 2 0 376.501 0.983 20 0 GCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420207233 1194205216 /nfs/dbraw/zinc/20/52/16/1194205216.db2.gz TWMBLNAJHBIYHP-NEWSRXKRSA-N 2 0 388.512 0.603 20 0 GCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420207234 1194205264 /nfs/dbraw/zinc/20/52/64/1194205264.db2.gz TWMBLNAJHBIYHP-NZSAHSFTSA-N 2 0 388.512 0.603 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420188580 1194205824 /nfs/dbraw/zinc/20/58/24/1194205824.db2.gz NHMMFZMFCZAXQX-MJGOQNOKSA-N 2 0 388.512 0.604 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420188579 1194205864 /nfs/dbraw/zinc/20/58/64/1194205864.db2.gz NHMMFZMFCZAXQX-IEBWSBKVSA-N 2 0 388.512 0.604 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420189543 1194206437 /nfs/dbraw/zinc/20/64/37/1194206437.db2.gz UZHJLXGYJXNVCK-GOSISDBHSA-N 2 0 376.501 0.462 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501592810 1194206743 /nfs/dbraw/zinc/20/67/43/1194206743.db2.gz XBTJAWGLNLWVDD-UHOSZYNNSA-N 2 0 392.544 0.689 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000420191219 1194207118 /nfs/dbraw/zinc/20/71/18/1194207118.db2.gz HMFAKTZWNXJDLD-DLBZAZTESA-N 2 0 379.549 0.247 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501622157 1194209409 /nfs/dbraw/zinc/20/94/09/1194209409.db2.gz IIERKONUVIOOBA-SCTDSRPQSA-N 2 0 394.560 0.983 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420222853 1194210671 /nfs/dbraw/zinc/21/06/71/1194210671.db2.gz TZMKSTNCLVRTIQ-SQNIBIBYSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@H]1C[C@H](O)CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420209598 1194211544 /nfs/dbraw/zinc/21/15/44/1194211544.db2.gz TYYRNXUXPGXIRM-WMZOPIPTSA-N 2 0 388.512 0.325 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000420210176 1194212276 /nfs/dbraw/zinc/21/22/76/1194212276.db2.gz UKKWKCCDFYCSBM-GOSISDBHSA-N 2 0 388.512 0.470 20 0 GCADRP CC(C)(CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000501618297 1194214756 /nfs/dbraw/zinc/21/47/56/1194214756.db2.gz ZTRIASPWTODCQR-QGZVFWFLSA-N 2 0 394.560 0.842 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000420219312 1194215197 /nfs/dbraw/zinc/21/51/97/1194215197.db2.gz XGAXOYAPDUFSQA-BZUAXINKSA-N 2 0 387.484 0.243 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501635164 1194216201 /nfs/dbraw/zinc/21/62/01/1194216201.db2.gz FTUNWJAIZOCCSJ-IRXDYDNUSA-N 2 0 380.533 0.404 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501635163 1194216216 /nfs/dbraw/zinc/21/62/16/1194216216.db2.gz FTUNWJAIZOCCSJ-IAGOWNOFSA-N 2 0 380.533 0.404 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501648606 1194219091 /nfs/dbraw/zinc/21/90/91/1194219091.db2.gz YKDORIXNMGDQGA-KURKYZTESA-N 2 0 394.560 0.840 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501648607 1194219382 /nfs/dbraw/zinc/21/93/82/1194219382.db2.gz YKDORIXNMGDQGA-KZNAEPCWSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420408557 1194229271 /nfs/dbraw/zinc/22/92/71/1194229271.db2.gz PMRTTYNVNLWUAA-GOEBONIOSA-N 2 0 382.530 0.300 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000420453405 1194230682 /nfs/dbraw/zinc/23/06/82/1194230682.db2.gz KEQIKRCEIUWYNF-CQSZACIVSA-N 2 0 389.493 0.929 20 0 GCADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000501796344 1194231254 /nfs/dbraw/zinc/23/12/54/1194231254.db2.gz QQVXGARICMPWED-UHFFFAOYSA-N 2 0 381.565 0.273 20 0 GCADRP CON1CCC(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000420775776 1194262351 /nfs/dbraw/zinc/26/23/51/1194262351.db2.gz CRRNZPIUTXVATP-UHFFFAOYSA-N 2 0 376.505 0.919 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)N1CC[NH+](C)CC1 ZINC000421249663 1194316953 /nfs/dbraw/zinc/31/69/53/1194316953.db2.gz MLLFZNRAXALBOB-QZTJIDSGSA-N 2 0 381.565 0.316 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000503019323 1194374970 /nfs/dbraw/zinc/37/49/70/1194374970.db2.gz SCFGSSZNTGYMKM-UHFFFAOYSA-N 2 0 395.548 0.437 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422089926 1194388579 /nfs/dbraw/zinc/38/85/79/1194388579.db2.gz UZXIWOYMYBXZTN-ROUUACIJSA-N 2 0 381.565 0.317 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422089928 1194388759 /nfs/dbraw/zinc/38/87/59/1194388759.db2.gz UZXIWOYMYBXZTN-ZWKOTPCHSA-N 2 0 381.565 0.317 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000422132957 1194396901 /nfs/dbraw/zinc/39/69/01/1194396901.db2.gz IFJDFYRNYMFGNX-HNNXBMFYSA-N 2 0 375.473 0.291 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000272719225 1194491029 /nfs/dbraw/zinc/49/10/29/1194491029.db2.gz BOPJQHSJTAQYEN-RBUKOAKNSA-N 2 0 375.517 0.298 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272740433 1194494347 /nfs/dbraw/zinc/49/43/47/1194494347.db2.gz IJPLRCZBUBYPJG-OAHLLOKOSA-N 2 0 379.509 0.197 20 0 GCADRP CNC(=O)c1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000272934825 1194520963 /nfs/dbraw/zinc/52/09/63/1194520963.db2.gz BDKZCBMKJNJDNJ-UHFFFAOYSA-N 2 0 384.546 0.940 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nnnn2CC1 ZINC000422260842 1194601197 /nfs/dbraw/zinc/60/11/97/1194601197.db2.gz DDLOMPQCNWQVCL-JKSUJKDBSA-N 2 0 378.525 0.436 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000422283815 1194602379 /nfs/dbraw/zinc/60/23/79/1194602379.db2.gz HFZYXFVKAYNBGN-HZPDHXFCSA-N 2 0 391.541 0.720 20 0 GCADRP CC(C)N1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000503253231 1194603794 /nfs/dbraw/zinc/60/37/94/1194603794.db2.gz SYQGJOTZTSSNEL-UHFFFAOYSA-N 2 0 388.516 0.856 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422296751 1194607191 /nfs/dbraw/zinc/60/71/91/1194607191.db2.gz HTOQCPUSSRSDCC-INIZCTEOSA-N 2 0 382.549 0.933 20 0 GCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000422305932 1194616064 /nfs/dbraw/zinc/61/60/64/1194616064.db2.gz YEWIHKZVDNYVNB-UHFFFAOYSA-N 2 0 396.557 0.459 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@H+](C)[C@H]3C)CC2)CC1 ZINC000422425960 1194638062 /nfs/dbraw/zinc/63/80/62/1194638062.db2.gz NKCZZWCTHAUPFT-PKOBYXMFSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCN1C1CC[NH+](C)CC1 ZINC000422469349 1194646748 /nfs/dbraw/zinc/64/67/48/1194646748.db2.gz CYJBYTZXQRHTBN-INIZCTEOSA-N 2 0 398.511 0.577 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000422459627 1194649822 /nfs/dbraw/zinc/64/98/22/1194649822.db2.gz ZQBGYQZBQFZVMJ-QGZVFWFLSA-N 2 0 393.576 0.604 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000422493073 1194651965 /nfs/dbraw/zinc/65/19/65/1194651965.db2.gz XJEVMUJCFSFLIG-QGZVFWFLSA-N 2 0 380.533 0.405 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CCC([NH+](C)C)CC3)CC2)c1 ZINC000422627806 1194678046 /nfs/dbraw/zinc/67/80/46/1194678046.db2.gz QMCIBJVHEROHGE-UHFFFAOYSA-N 2 0 389.500 0.728 20 0 GCADRP CCC[C@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCN1CCOC ZINC000422628864 1194678093 /nfs/dbraw/zinc/67/80/93/1194678093.db2.gz VNFAKAKCOWDZHO-ABHNRTSZSA-N 2 0 382.549 0.935 20 0 GCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422642514 1194681144 /nfs/dbraw/zinc/68/11/44/1194681144.db2.gz ZMIUTWBFIVGNEY-HLLBOEOZSA-N 2 0 396.557 0.688 20 0 GCADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000503638473 1194702461 /nfs/dbraw/zinc/70/24/61/1194702461.db2.gz YXUFHQUKXDARBD-DLBZAZTESA-N 2 0 377.485 0.867 20 0 GCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000414715118 1194723745 /nfs/dbraw/zinc/72/37/45/1194723745.db2.gz XOAWHKSRKABNNB-LJQANCHMSA-N 2 0 396.491 0.880 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423121150 1194728767 /nfs/dbraw/zinc/72/87/67/1194728767.db2.gz IARCGORIUNXPGR-UWWQBHOKSA-N 2 0 376.476 0.879 20 0 GCADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423184431 1194733733 /nfs/dbraw/zinc/73/37/33/1194733733.db2.gz SZHGZYUFVRJXAC-KRWDZBQOSA-N 2 0 396.557 0.653 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423161290 1194734498 /nfs/dbraw/zinc/73/44/98/1194734498.db2.gz IQJZZBXAMVCVOJ-MOPGFXCFSA-N 2 0 387.528 0.962 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423163784 1194734640 /nfs/dbraw/zinc/73/46/40/1194734640.db2.gz NJAKHHFCKBOTBN-QZTJIDSGSA-N 2 0 389.500 0.081 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423164697 1194734747 /nfs/dbraw/zinc/73/47/47/1194734747.db2.gz OXILWHVEPNXRDD-AEFFLSMTSA-N 2 0 376.476 0.926 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000423173765 1194735428 /nfs/dbraw/zinc/73/54/28/1194735428.db2.gz ZZPXFELKDGJGLE-MSOLQXFVSA-N 2 0 394.560 0.922 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000423173386 1194735687 /nfs/dbraw/zinc/73/56/87/1194735687.db2.gz YHQNBGPHHVDISX-GOSISDBHSA-N 3 0 396.576 0.694 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423170895 1194735723 /nfs/dbraw/zinc/73/57/23/1194735723.db2.gz NAXAQFGWTZAIOT-KRWDZBQOSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423208602 1194736637 /nfs/dbraw/zinc/73/66/37/1194736637.db2.gz TVUPVUHXPPXWCM-GASCZTMLSA-N 2 0 380.439 0.533 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423212103 1194737401 /nfs/dbraw/zinc/73/74/01/1194737401.db2.gz LOJYGZNKUFJHCK-FGTMMUONSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423200295 1194738695 /nfs/dbraw/zinc/73/86/95/1194738695.db2.gz FJHPNSOBQABMIM-IRXDYDNUSA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423199943 1194738956 /nfs/dbraw/zinc/73/89/56/1194738956.db2.gz CYTKSHHGEILYGS-SJLPKXTDSA-N 2 0 376.476 0.926 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423219387 1194741029 /nfs/dbraw/zinc/74/10/29/1194741029.db2.gz WKXKENYDPOJZDP-GUDVDZBRSA-N 2 0 395.592 0.835 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423219185 1194741152 /nfs/dbraw/zinc/74/11/52/1194741152.db2.gz WKXKENYDPOJZDP-CEXWTWQISA-N 2 0 395.592 0.835 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423220001 1194741195 /nfs/dbraw/zinc/74/11/95/1194741195.db2.gz XPTFPVDAOFUNCL-SQNIBIBYSA-N 2 0 380.533 0.404 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCO1 ZINC000423233365 1194742498 /nfs/dbraw/zinc/74/24/98/1194742498.db2.gz OFPWVTVCQQGJAY-IBGZPJMESA-N 2 0 388.512 0.340 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000423260943 1194742800 /nfs/dbraw/zinc/74/28/00/1194742800.db2.gz IVTOIRCFPRZHDA-UHFFFAOYSA-N 2 0 389.544 0.331 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)c1 ZINC000423261902 1194742813 /nfs/dbraw/zinc/74/28/13/1194742813.db2.gz TWQHNPYEZRZNMW-LSDHHAIUSA-N 2 0 375.473 0.182 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000423264427 1194743066 /nfs/dbraw/zinc/74/30/66/1194743066.db2.gz YSYGSQXMHHWQHD-OAHLLOKOSA-N 2 0 375.473 0.197 20 0 GCADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423241344 1194743139 /nfs/dbraw/zinc/74/31/39/1194743139.db2.gz LKRCQPPTTOZHQU-LJQANCHMSA-N 2 0 388.512 0.543 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423264304 1194743147 /nfs/dbraw/zinc/74/31/47/1194743147.db2.gz PUTZODCHVAPGOT-SFHVURJKSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423257666 1194743955 /nfs/dbraw/zinc/74/39/55/1194743955.db2.gz AAOHBGBJVBQIKU-IEBWSBKVSA-N 2 0 387.528 0.068 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000504001373 1194744007 /nfs/dbraw/zinc/74/40/07/1194744007.db2.gz JWBMBNMAUQWFTD-UHFFFAOYSA-N 2 0 391.582 0.325 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000423255108 1194744070 /nfs/dbraw/zinc/74/40/70/1194744070.db2.gz AUEPRFKBTVOMTO-GJZGRUSLSA-N 2 0 375.473 0.325 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)c1 ZINC000423256996 1194744316 /nfs/dbraw/zinc/74/43/16/1194744316.db2.gz GZQWPDWUDGQOGV-HNNXBMFYSA-N 2 0 375.473 0.326 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)c1 ZINC000423256997 1194744478 /nfs/dbraw/zinc/74/44/78/1194744478.db2.gz GZQWPDWUDGQOGV-OAHLLOKOSA-N 2 0 375.473 0.326 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000414730058 1194744992 /nfs/dbraw/zinc/74/49/92/1194744992.db2.gz QZOCUFVLHFRJAL-UHFFFAOYSA-N 2 0 390.484 0.533 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423268577 1194745344 /nfs/dbraw/zinc/74/53/44/1194745344.db2.gz UUSQMFNWRRCMIC-QZTJIDSGSA-N 2 0 382.549 0.651 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1)Cc1ccccc1 ZINC000423270025 1194745358 /nfs/dbraw/zinc/74/53/58/1194745358.db2.gz WHAKPZNGNBFUTQ-UHFFFAOYSA-N 2 0 387.528 0.212 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423268576 1194745559 /nfs/dbraw/zinc/74/55/59/1194745559.db2.gz UUSQMFNWRRCMIC-MSOLQXFVSA-N 2 0 382.549 0.651 20 0 GCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423280395 1194745676 /nfs/dbraw/zinc/74/56/76/1194745676.db2.gz UBNOCFFOYNOSIG-GOSISDBHSA-N 2 0 391.560 0.217 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000423319270 1194747210 /nfs/dbraw/zinc/74/72/10/1194747210.db2.gz ZTVQLFPVZNKGSN-UHFFFAOYSA-N 2 0 380.533 0.405 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C[C@H]21 ZINC000423372423 1194750201 /nfs/dbraw/zinc/75/02/01/1194750201.db2.gz GHFJDEFCIHRCEI-XMTFNYHQSA-N 2 0 378.517 0.143 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423370746 1194751643 /nfs/dbraw/zinc/75/16/43/1194751643.db2.gz HCQNVKRRWGPQTP-HKUYNNGSSA-N 2 0 388.512 0.686 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423392831 1194753350 /nfs/dbraw/zinc/75/33/50/1194753350.db2.gz QSQPZJLUEMYANF-CWLKWCNXSA-N 2 0 378.517 0.284 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000423443939 1194755766 /nfs/dbraw/zinc/75/57/66/1194755766.db2.gz LBCAXACYVFZTOJ-XWTMOSNGSA-N 2 0 380.533 0.532 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000423447907 1194755831 /nfs/dbraw/zinc/75/58/31/1194755831.db2.gz PGNXZZXXPZBWDQ-PKOBYXMFSA-N 2 0 394.560 0.781 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423450109 1194756125 /nfs/dbraw/zinc/75/61/25/1194756125.db2.gz SJFNYZOGABQMJI-AEFFLSMTSA-N 2 0 382.549 0.779 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423447966 1194756173 /nfs/dbraw/zinc/75/61/73/1194756173.db2.gz PKHDVYWWASPPSL-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423434639 1194757210 /nfs/dbraw/zinc/75/72/10/1194757210.db2.gz DDBNVTPPFZPEAA-IBGZPJMESA-N 2 0 394.560 0.925 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000423435260 1194757236 /nfs/dbraw/zinc/75/72/36/1194757236.db2.gz DMYDHNVVCMWJJL-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423439250 1194757603 /nfs/dbraw/zinc/75/76/03/1194757603.db2.gz HVDNFZKVMPILFJ-RTBURBONSA-N 2 0 392.544 0.405 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423440300 1194757630 /nfs/dbraw/zinc/75/76/30/1194757630.db2.gz ILFSJWYGIDFCCZ-FQEVSTJZSA-N 2 0 380.533 0.535 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000423471258 1194758690 /nfs/dbraw/zinc/75/86/90/1194758690.db2.gz FDCQEAZSAVAQQO-WBVHZDCISA-N 2 0 376.501 0.781 20 0 GCADRP C[NH2+]C1CCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423497678 1194760904 /nfs/dbraw/zinc/76/09/04/1194760904.db2.gz HFQLMHPUKKBLED-IRXDYDNUSA-N 2 0 394.560 0.935 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423495090 1194761007 /nfs/dbraw/zinc/76/10/07/1194761007.db2.gz BPNWPBHLZIMUFB-SCTDSRPQSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423531212 1194761513 /nfs/dbraw/zinc/76/15/13/1194761513.db2.gz XXEGBYZLVWUVAH-RYQLBKOJSA-N 2 0 380.533 0.532 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529115 1194761598 /nfs/dbraw/zinc/76/15/98/1194761598.db2.gz NXHHKHLZCJFOQD-NZSAHSFTSA-N 2 0 393.576 0.602 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529116 1194761642 /nfs/dbraw/zinc/76/16/42/1194761642.db2.gz NXHHKHLZCJFOQD-QRQLOZEOSA-N 2 0 393.576 0.602 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423511159 1194761870 /nfs/dbraw/zinc/76/18/70/1194761870.db2.gz NLOCDXFTPBHUAI-ZWKOTPCHSA-N 2 0 382.549 0.922 20 0 GCADRP C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517754 1194762288 /nfs/dbraw/zinc/76/22/88/1194762288.db2.gz OGYXAYNFHXVALE-WMZOPIPTSA-N 2 0 398.573 0.946 20 0 GCADRP C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523048 1194762887 /nfs/dbraw/zinc/76/28/87/1194762887.db2.gz MVTNZEJIROWCBW-NVXWUHKLSA-N 2 0 384.546 0.556 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423559409 1194763692 /nfs/dbraw/zinc/76/36/92/1194763692.db2.gz DTXABFXRXBZRAH-SFTDATJTSA-N 2 0 388.512 0.279 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423559405 1194764010 /nfs/dbraw/zinc/76/40/10/1194764010.db2.gz DTXABFXRXBZRAH-NHCUHLMSSA-N 2 0 388.512 0.279 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423589639 1194766781 /nfs/dbraw/zinc/76/67/81/1194766781.db2.gz AIIMLWBQDZIPJR-KURKYZTESA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000423575772 1194769213 /nfs/dbraw/zinc/76/92/13/1194769213.db2.gz WTVNPDQAIOAWMO-BLIXFSHQSA-N 2 0 388.512 0.278 20 0 GCADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423606958 1194772390 /nfs/dbraw/zinc/77/23/90/1194772390.db2.gz ISOHKMCQZYMYDH-HXUWFJFHSA-N 2 0 399.539 0.227 20 0 GCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423610597 1194773194 /nfs/dbraw/zinc/77/31/94/1194773194.db2.gz REBMGMYUNGONOP-AZUAARDMSA-N 2 0 399.539 0.225 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423635552 1194776025 /nfs/dbraw/zinc/77/60/25/1194776025.db2.gz RRVRGTVQYHQCEI-IBGZPJMESA-N 2 0 387.528 0.070 20 0 GCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423639248 1194776507 /nfs/dbraw/zinc/77/65/07/1194776507.db2.gz JFCYSNOYOMHJRW-WOJBJXKFSA-N 2 0 399.539 0.355 20 0 GCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423639247 1194776631 /nfs/dbraw/zinc/77/66/31/1194776631.db2.gz JFCYSNOYOMHJRW-VQTJNVASSA-N 2 0 399.539 0.355 20 0 GCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423639244 1194776693 /nfs/dbraw/zinc/77/66/93/1194776693.db2.gz JFCYSNOYOMHJRW-PMACEKPBSA-N 2 0 399.539 0.355 20 0 GCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423643906 1194777306 /nfs/dbraw/zinc/77/73/06/1194777306.db2.gz XSNYFEGUSQEIHU-PMACEKPBSA-N 2 0 399.539 0.212 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000423627771 1194778681 /nfs/dbraw/zinc/77/86/81/1194778681.db2.gz JAXUCAOLUXEKBJ-ZWKOTPCHSA-N 2 0 387.528 0.476 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000423650428 1194778997 /nfs/dbraw/zinc/77/89/97/1194778997.db2.gz KSUKRVQEXPRMRQ-SJORKVTESA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)CC1 ZINC000423651234 1194779463 /nfs/dbraw/zinc/77/94/63/1194779463.db2.gz LLEAQEOKGZIURQ-SJORKVTESA-N 2 0 379.549 0.199 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423656117 1194779893 /nfs/dbraw/zinc/77/98/93/1194779893.db2.gz TZLWLNPYDQCDQO-FAJBIJEISA-N 2 0 394.560 0.920 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423658760 1194780363 /nfs/dbraw/zinc/78/03/63/1194780363.db2.gz GWZJVPQLOGLVMX-KRWDZBQOSA-N 2 0 380.533 0.690 20 0 GCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423660882 1194780679 /nfs/dbraw/zinc/78/06/79/1194780679.db2.gz BNCSMJZVNGFLFO-LJQANCHMSA-N 2 0 388.512 0.545 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660703 1194780852 /nfs/dbraw/zinc/78/08/52/1194780852.db2.gz KSHHCWACXZDUMA-ZIFCJYIRSA-N 2 0 394.560 0.935 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000423662928 1194781088 /nfs/dbraw/zinc/78/10/88/1194781088.db2.gz FYUFHUDTUCMJHP-ROUUACIJSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423648855 1194782760 /nfs/dbraw/zinc/78/27/60/1194782760.db2.gz JBZPITRSMWKALK-WNRNVDISSA-N 2 0 379.549 0.199 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC2)CCO1 ZINC000423695308 1194783493 /nfs/dbraw/zinc/78/34/93/1194783493.db2.gz VMCFATFNEWREHT-QGZVFWFLSA-N 2 0 388.512 0.686 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423678887 1194784915 /nfs/dbraw/zinc/78/49/15/1194784915.db2.gz RGAOZIIHKKJDEQ-GOSISDBHSA-N 2 0 381.565 0.319 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCN1CC(C)(C)O ZINC000423683749 1194785344 /nfs/dbraw/zinc/78/53/44/1194785344.db2.gz XEAIPFHTZNOOJE-KRWDZBQOSA-N 2 0 390.528 0.668 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)c1 ZINC000423685278 1194785590 /nfs/dbraw/zinc/78/55/90/1194785590.db2.gz RVXJNRPWTFUOHA-GDBMZVCRSA-N 2 0 375.473 0.467 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423688355 1194786277 /nfs/dbraw/zinc/78/62/77/1194786277.db2.gz WJTWAPYFQMUKGX-SJLPKXTDSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000423688800 1194786284 /nfs/dbraw/zinc/78/62/84/1194786284.db2.gz XRNMZZUCEMJPLT-QUCCMNQESA-N 2 0 399.539 0.225 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000423715906 1194788060 /nfs/dbraw/zinc/78/80/60/1194788060.db2.gz HYEXJQVGWXIHRP-QGZVFWFLSA-N 2 0 375.517 0.068 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423722236 1194789116 /nfs/dbraw/zinc/78/91/16/1194789116.db2.gz PPDZMRBYSJCTQJ-SJLPKXTDSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423726767 1194789649 /nfs/dbraw/zinc/78/96/49/1194789649.db2.gz ISEPNZVIDUCRFL-SJLPKXTDSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423726770 1194789683 /nfs/dbraw/zinc/78/96/83/1194789683.db2.gz ISEPNZVIDUCRFL-WMZOPIPTSA-N 2 0 380.533 0.676 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)c1 ZINC000423741792 1194790851 /nfs/dbraw/zinc/79/08/51/1194790851.db2.gz TWNOTNXAXBZIBU-GDBMZVCRSA-N 2 0 375.473 0.325 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)CC1 ZINC000423748809 1194791534 /nfs/dbraw/zinc/79/15/34/1194791534.db2.gz ZUKCVGISGHLLRG-IEBWSBKVSA-N 2 0 393.576 0.589 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)CC1 ZINC000423748575 1194791817 /nfs/dbraw/zinc/79/18/17/1194791817.db2.gz ZOEFLVYFTPIKTD-IEBWSBKVSA-N 2 0 393.576 0.589 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423732964 1194792223 /nfs/dbraw/zinc/79/22/23/1194792223.db2.gz MUFREOVQORTXLQ-WMZOPIPTSA-N 2 0 398.548 0.158 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000424465402 1194813708 /nfs/dbraw/zinc/81/37/08/1194813708.db2.gz RSGMWFZVLUHZGW-LULLPPNCSA-N 2 0 392.548 0.993 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000424468399 1194813938 /nfs/dbraw/zinc/81/39/38/1194813938.db2.gz OVPPOBHVJQDLMN-UHFFFAOYSA-N 2 0 389.500 0.309 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000424454814 1194815106 /nfs/dbraw/zinc/81/51/06/1194815106.db2.gz MEACGXXHPIZHQY-LPHOPBHVSA-N 2 0 387.528 0.877 20 0 GCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000424502448 1194818556 /nfs/dbraw/zinc/81/85/56/1194818556.db2.gz GQGCCSNAHCQVDC-ASKNOMKYSA-N 2 0 390.532 0.300 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424508750 1194819080 /nfs/dbraw/zinc/81/90/80/1194819080.db2.gz PJJFWBGHQCMFEA-GBESFXJTSA-N 2 0 396.495 0.064 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424537919 1194820211 /nfs/dbraw/zinc/82/02/11/1194820211.db2.gz BTIASNMHBSVAFG-BPQIPLTHSA-N 2 0 390.532 0.157 20 0 GCADRP CC(C)[NH+](CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C(C)C ZINC000424515065 1194821024 /nfs/dbraw/zinc/82/10/24/1194821024.db2.gz BKPACUBQBGGKGL-DLBZAZTESA-N 2 0 378.521 0.298 20 0 GCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424539422 1194822350 /nfs/dbraw/zinc/82/23/50/1194822350.db2.gz FCZWGYYYQQARAG-ZWKOTPCHSA-N 2 0 390.532 0.254 20 0 GCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000414796078 1194822532 /nfs/dbraw/zinc/82/25/32/1194822532.db2.gz BRGKXQVAUFNLHD-UHFFFAOYSA-N 2 0 387.484 0.111 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424543004 1194822544 /nfs/dbraw/zinc/82/25/44/1194822544.db2.gz FXRFRONYIBFPTM-YESZJQIVSA-N 2 0 376.505 0.054 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H]2[NH3+])cn1 ZINC000424541164 1194822593 /nfs/dbraw/zinc/82/25/93/1194822593.db2.gz DQGFRCYMLQWTKC-XHSDSOJGSA-N 2 0 378.521 0.156 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000424550658 1194823944 /nfs/dbraw/zinc/82/39/44/1194823944.db2.gz TVKLIORFJSDXAW-PQEBFOHHSA-N 2 0 376.505 0.004 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424551988 1194824289 /nfs/dbraw/zinc/82/42/89/1194824289.db2.gz XHZNXIPUTBQCJO-OKZBNKHCSA-N 2 0 388.516 0.150 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414817518 1194830601 /nfs/dbraw/zinc/83/06/01/1194830601.db2.gz SGWMRJDQRMHHQA-UHFFFAOYSA-N 2 0 392.500 0.924 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652730673 1194859368 /nfs/dbraw/zinc/85/93/68/1194859368.db2.gz LHZJRJRXRBUACD-BZSNNMDCSA-N 2 0 382.549 0.922 20 0 GCADRP CCOC(=O)Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(-c2cnn(C)c2)n1 ZINC000894303041 1194878282 /nfs/dbraw/zinc/87/82/82/1194878282.db2.gz GBTUFROZEFMODB-UHFFFAOYSA-N 2 0 390.488 0.393 20 0 GCADRP CN(CC(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1)Cc1ccccc1 ZINC000435021776 1194883636 /nfs/dbraw/zinc/88/36/36/1194883636.db2.gz RWXWBMYRLZZHJH-QGZVFWFLSA-N 2 0 384.484 0.929 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000514693990 1194895230 /nfs/dbraw/zinc/89/52/30/1194895230.db2.gz UKWTYYLCXXIZMC-MJGOQNOKSA-N 2 0 391.560 0.380 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000514793280 1194910138 /nfs/dbraw/zinc/91/01/38/1194910138.db2.gz NGMNBBNWWBOPRH-UHFFFAOYSA-N 2 0 398.548 0.160 20 0 GCADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000435370188 1194925400 /nfs/dbraw/zinc/92/54/00/1194925400.db2.gz HQVDPEDBCHXVQK-CYBMUJFWSA-N 2 0 398.891 0.500 20 0 GCADRP O=C(C(=O)N1CCn2cncc2C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425379272 1194933507 /nfs/dbraw/zinc/93/35/07/1194933507.db2.gz AJGQEEZHGVIXLY-PKOBYXMFSA-N 2 0 379.464 0.958 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515073863 1194945523 /nfs/dbraw/zinc/94/55/23/1194945523.db2.gz LPPQSZYMXSYWLV-SJLPKXTDSA-N 2 0 389.500 0.471 20 0 GCADRP Cc1cccc(OCCNC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436057252 1194982429 /nfs/dbraw/zinc/98/24/29/1194982429.db2.gz FXXHAQLFPLEJQE-KRWDZBQOSA-N 2 0 376.501 0.810 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000436144915 1194987705 /nfs/dbraw/zinc/98/77/05/1194987705.db2.gz RJTJEHIZEMEFCF-MRXNPFEDSA-N 2 0 397.564 0.416 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000436256425 1194993475 /nfs/dbraw/zinc/99/34/75/1194993475.db2.gz BNDTWGFGRWORGH-CVEARBPZSA-N 2 0 383.537 0.060 20 0 GCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000436261526 1194993878 /nfs/dbraw/zinc/99/38/78/1194993878.db2.gz PCBLGQJBEVXXBM-HZPDHXFCSA-N 2 0 383.537 0.060 20 0 GCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515846081 1195001842 /nfs/dbraw/zinc/00/18/42/1195001842.db2.gz BRNNOHIBJFPRCI-HUUCEWRRSA-N 2 0 380.514 0.902 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000515908126 1195008350 /nfs/dbraw/zinc/00/83/50/1195008350.db2.gz YVLHXFOBTDWICA-RTBURBONSA-N 2 0 394.560 0.719 20 0 GCADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000638276847 1195019004 /nfs/dbraw/zinc/01/90/04/1195019004.db2.gz QAWPMQOWSWAJIG-UHFFFAOYSA-N 2 0 388.512 0.584 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516199042 1195031012 /nfs/dbraw/zinc/03/10/12/1195031012.db2.gz KSUCAZDXMJTKHL-RTBURBONSA-N 2 0 392.544 0.833 20 0 GCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516199040 1195031305 /nfs/dbraw/zinc/03/13/05/1195031305.db2.gz KSUCAZDXMJTKHL-OALUTQOASA-N 2 0 392.544 0.833 20 0 GCADRP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(=O)[nH]c1=O ZINC000516650858 1195080430 /nfs/dbraw/zinc/08/04/30/1195080430.db2.gz ISEUHZKHKCORSQ-AWEZNQCLSA-N 2 0 394.520 0.745 20 0 GCADRP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(=O)[nH]c1=O ZINC000516650859 1195080569 /nfs/dbraw/zinc/08/05/69/1195080569.db2.gz ISEUHZKHKCORSQ-CQSZACIVSA-N 2 0 394.520 0.745 20 0 GCADRP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000516760738 1195093995 /nfs/dbraw/zinc/09/39/95/1195093995.db2.gz IHCHTYZCAJPYJX-AWEZNQCLSA-N 2 0 391.516 0.432 20 0 GCADRP CC[NH+](CC(=O)N1CCN(C)[C@H](CNC(=O)C[N@@H+](CC)C2CC2)C1)C1CC1 ZINC000516777854 1195097290 /nfs/dbraw/zinc/09/72/90/1195097290.db2.gz SVPOGBSSCTWTPU-GOSISDBHSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506037917 1195100503 /nfs/dbraw/zinc/10/05/03/1195100503.db2.gz WXDNJDXHRVYYGG-IEBWSBKVSA-N 2 0 394.560 0.923 20 0 GCADRP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000516857944 1195105969 /nfs/dbraw/zinc/10/59/69/1195105969.db2.gz QYBIYCQFPSRXNC-SQNIBIBYSA-N 2 0 388.512 0.653 20 0 GCADRP COCC(C)(C)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000425805211 1195111286 /nfs/dbraw/zinc/11/12/86/1195111286.db2.gz OHPFPVHOCGPSIK-UHFFFAOYSA-N 2 0 386.456 0.775 20 0 GCADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)C1 ZINC000516920946 1195112759 /nfs/dbraw/zinc/11/27/59/1195112759.db2.gz DYRNCHYBRNMNGR-HKUYNNGSSA-N 2 0 392.544 0.818 20 0 GCADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)C1 ZINC000516920947 1195112951 /nfs/dbraw/zinc/11/29/51/1195112951.db2.gz DYRNCHYBRNMNGR-IEBWSBKVSA-N 2 0 392.544 0.818 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)CCC[NH3+])CC2)c1 ZINC000516981992 1195123021 /nfs/dbraw/zinc/12/30/21/1195123021.db2.gz RBHRQUUKRLALBX-UHFFFAOYSA-N 2 0 375.517 0.431 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000549994856 1195142759 /nfs/dbraw/zinc/14/27/59/1195142759.db2.gz RLIMYSCFVUKNCQ-HZPDHXFCSA-N 2 0 396.557 0.940 20 0 GCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000517234702 1195159803 /nfs/dbraw/zinc/15/98/03/1195159803.db2.gz PXNRSZFOTVUKJJ-KRWDZBQOSA-N 2 0 380.533 0.644 20 0 GCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000517234703 1195159956 /nfs/dbraw/zinc/15/99/56/1195159956.db2.gz PXNRSZFOTVUKJJ-QGZVFWFLSA-N 2 0 380.533 0.644 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000517259597 1195165899 /nfs/dbraw/zinc/16/58/99/1195165899.db2.gz GVDMBEVJGVBMDB-GOSISDBHSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCCO1 ZINC000517424033 1195181817 /nfs/dbraw/zinc/18/18/17/1195181817.db2.gz ZHQUGGSWXNTMQS-KRWDZBQOSA-N 2 0 382.549 0.842 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000438102185 1195186894 /nfs/dbraw/zinc/18/68/94/1195186894.db2.gz QRPMTHVROVMXRZ-UHFFFAOYSA-N 2 0 388.578 0.438 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517573226 1195192295 /nfs/dbraw/zinc/19/22/95/1195192295.db2.gz PASHZIPRHWVJRO-UHFFFAOYSA-N 2 0 395.592 0.852 20 0 GCADRP CC(C)[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N1CCOCC1 ZINC000517566415 1195194140 /nfs/dbraw/zinc/19/41/40/1195194140.db2.gz OJXKTYBNHNESFF-SFHVURJKSA-N 2 0 397.564 0.585 20 0 GCADRP C[N@H+](CCNC(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccccc1 ZINC000438324449 1195206781 /nfs/dbraw/zinc/20/67/81/1195206781.db2.gz LETRGKYQDBBAOQ-UHFFFAOYSA-N 2 0 386.500 1.469 20 0 GCADRP COC[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000438353486 1195210967 /nfs/dbraw/zinc/21/09/67/1195210967.db2.gz BRMNNRADOCIYAK-ADHGMGHFSA-N 2 0 382.549 0.979 20 0 GCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000517907231 1195229565 /nfs/dbraw/zinc/22/95/65/1195229565.db2.gz XULAVWDTAAPQSR-SFHVURJKSA-N 2 0 376.501 0.657 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)C2)CC1 ZINC000518016840 1195238854 /nfs/dbraw/zinc/23/88/54/1195238854.db2.gz UOFYBQCTKYLION-GBESFXJTSA-N 2 0 381.565 0.907 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000518016843 1195239012 /nfs/dbraw/zinc/23/90/12/1195239012.db2.gz UOFYBQCTKYLION-OTWHNJEPSA-N 2 0 381.565 0.907 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426124494 1195242423 /nfs/dbraw/zinc/24/24/23/1195242423.db2.gz SJJANENMXOHGHT-CYBMUJFWSA-N 2 0 378.439 0.976 20 0 GCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000414969346 1195270196 /nfs/dbraw/zinc/27/01/96/1195270196.db2.gz FBQRCZDERPCCGL-QGZVFWFLSA-N 2 0 387.484 0.110 20 0 GCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000414976082 1195277055 /nfs/dbraw/zinc/27/70/55/1195277055.db2.gz NJKRUDXHGYNIJP-QGZVFWFLSA-N 2 0 387.484 0.110 20 0 GCADRP C[N@@H+]1CCN(CCC[NH2+]CC2(O)CCS(=O)(=O)CC2)[C@H](c2ccccc2)C1 ZINC000518361481 1195283086 /nfs/dbraw/zinc/28/30/86/1195283086.db2.gz ANHNKYGIHLCUIO-IBGZPJMESA-N 2 0 395.569 0.895 20 0 GCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000414978936 1195284395 /nfs/dbraw/zinc/28/43/95/1195284395.db2.gz SVGRLJFOKKXXIU-KRWDZBQOSA-N 2 0 387.484 0.110 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000518398485 1195286740 /nfs/dbraw/zinc/28/67/40/1195286740.db2.gz SXPUDGXZTOTZHO-AWEZNQCLSA-N 2 0 375.473 0.254 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000518471173 1195293326 /nfs/dbraw/zinc/29/33/26/1195293326.db2.gz PNKAGLVCNLDNTR-GOSISDBHSA-N 2 0 395.548 0.293 20 0 GCADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccccc2F)CC1 ZINC000518542132 1195301635 /nfs/dbraw/zinc/30/16/35/1195301635.db2.gz KSJJIPYYKARVKT-KRWDZBQOSA-N 2 0 375.492 0.454 20 0 GCADRP C[NH+]1CCC(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)(N2CCOCC2)CC1 ZINC000518724137 1195323638 /nfs/dbraw/zinc/32/36/38/1195323638.db2.gz ASIUFTWYTFQCBB-GOSISDBHSA-N 2 0 381.565 0.814 20 0 GCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439476741 1195323976 /nfs/dbraw/zinc/32/39/76/1195323976.db2.gz IBQFGZLLAGVBJF-SFHVURJKSA-N 2 0 394.520 0.293 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000518737504 1195325104 /nfs/dbraw/zinc/32/51/04/1195325104.db2.gz IVXSLLIAXZSOKM-AEFFLSMTSA-N 2 0 376.501 0.460 20 0 GCADRP C[NH+]1CCC[C@@H]1CNC(=O)C1(CC(=O)NC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434370 1195335048 /nfs/dbraw/zinc/33/50/48/1195335048.db2.gz YEYOOPHIGMTGQN-DLBZAZTESA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000518832849 1195338150 /nfs/dbraw/zinc/33/81/50/1195338150.db2.gz WYAKOSHTSBBYJR-IXDOHACOSA-N 2 0 378.517 0.299 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426564791 1195380521 /nfs/dbraw/zinc/38/05/21/1195380521.db2.gz INSQZQDXIDACKH-OALUTQOASA-N 2 0 382.549 0.852 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000519201332 1195381464 /nfs/dbraw/zinc/38/14/64/1195381464.db2.gz KJYYJNUOMIIEOT-GOSISDBHSA-N 2 0 394.560 0.842 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000550035527 1195418919 /nfs/dbraw/zinc/41/89/19/1195418919.db2.gz SBBGCEPKDFJXQB-ROUUACIJSA-N 2 0 393.576 0.604 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000550035525 1195419149 /nfs/dbraw/zinc/41/91/49/1195419149.db2.gz SBBGCEPKDFJXQB-QZTJIDSGSA-N 2 0 393.576 0.604 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000550096654 1195433940 /nfs/dbraw/zinc/43/39/40/1195433940.db2.gz KWYOCXNHSOYVLL-OALUTQOASA-N 2 0 394.560 0.936 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000550096655 1195434125 /nfs/dbraw/zinc/43/41/25/1195434125.db2.gz KWYOCXNHSOYVLL-RBUKOAKNSA-N 2 0 394.560 0.936 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000550095953 1195434741 /nfs/dbraw/zinc/43/47/41/1195434741.db2.gz JGWGFRAAQAAWOQ-ZWKOTPCHSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000550098552 1195434959 /nfs/dbraw/zinc/43/49/59/1195434959.db2.gz WFVCTCSWIJSFGT-OALUTQOASA-N 2 0 396.576 0.944 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550098528 1195435037 /nfs/dbraw/zinc/43/50/37/1195435037.db2.gz VTOCPIDLDSZOSL-QZTJIDSGSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000550095328 1195435151 /nfs/dbraw/zinc/43/51/51/1195435151.db2.gz HMQWZXGFRRNCHW-ROUUACIJSA-N 2 0 382.549 0.698 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000550095327 1195435698 /nfs/dbraw/zinc/43/56/98/1195435698.db2.gz HMQWZXGFRRNCHW-QZTJIDSGSA-N 2 0 382.549 0.698 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000550208558 1195460849 /nfs/dbraw/zinc/46/08/49/1195460849.db2.gz FNHHTCOIUXDUQK-BBWFWOEESA-N 2 0 380.533 0.687 20 0 GCADRP CN1CCN(C(=O)c2cc(NC(=O)NCCOCC[NH+](C)C)ccn2)CC1 ZINC000473777945 1195460882 /nfs/dbraw/zinc/46/08/82/1195460882.db2.gz XQCGSHVKNWODRQ-UHFFFAOYSA-N 2 0 378.477 0.169 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000111843020 1195462067 /nfs/dbraw/zinc/46/20/67/1195462067.db2.gz RRTFADXEKBDWNA-UHFFFAOYSA-N 2 0 390.532 0.337 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000102049792 1195468307 /nfs/dbraw/zinc/46/83/07/1195468307.db2.gz JRIOSNPRXNVSJI-SFHVURJKSA-N 2 0 396.580 0.254 20 0 GCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC13CC[NH+](C)CC3)C2 ZINC000894788650 1195472283 /nfs/dbraw/zinc/47/22/83/1195472283.db2.gz VHHMXARTIBWSIB-ALOPSCKCSA-N 2 0 377.533 0.950 20 0 GCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H]3C[NH+](C)C[C@]3(C)C1)C2 ZINC000894788736 1195472513 /nfs/dbraw/zinc/47/25/13/1195472513.db2.gz XPJGBDQQQIJCNG-MIGJQELLSA-N 2 0 377.533 0.663 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)N1CCOCC1 ZINC000550275737 1195474925 /nfs/dbraw/zinc/47/49/25/1195474925.db2.gz DGIVUPUYSVDCOI-IAGOWNOFSA-N 2 0 382.549 0.696 20 0 GCADRP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507403281 1195519971 /nfs/dbraw/zinc/51/99/71/1195519971.db2.gz MVVADTFYCNPKEK-UHFFFAOYSA-N 2 0 396.532 0.178 20 0 GCADRP CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427274586 1195522945 /nfs/dbraw/zinc/52/29/45/1195522945.db2.gz JKRAYYQPCWEMEV-HUUCEWRRSA-N 2 0 376.505 1.029 20 0 GCADRP COC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)NC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000427496242 1195545926 /nfs/dbraw/zinc/54/59/26/1195545926.db2.gz VELUTEDSDBBYIP-QGTPRVQTSA-N 2 0 378.517 0.487 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000550300421 1195554111 /nfs/dbraw/zinc/55/41/11/1195554111.db2.gz ZSCHDXMMALGNLG-UHFFFAOYSA-N 2 0 381.565 0.319 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)[NH+](C)C)c1 ZINC000519706680 1195566344 /nfs/dbraw/zinc/56/63/44/1195566344.db2.gz RDIGBWGMWMDWCL-SFHVURJKSA-N 2 0 376.501 0.968 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000519734355 1195567447 /nfs/dbraw/zinc/56/74/47/1195567447.db2.gz YBVLCJZAVUWWQR-WMZOPIPTSA-N 2 0 380.533 0.545 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000519755561 1195569562 /nfs/dbraw/zinc/56/95/62/1195569562.db2.gz VXMYIYVGSYOFEE-HOTGVXAUSA-N 2 0 380.558 0.532 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000519861169 1195578932 /nfs/dbraw/zinc/57/89/32/1195578932.db2.gz KULPJLNLCZIHLM-MRXNPFEDSA-N 2 0 398.529 0.905 20 0 GCADRP CN1CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC[N@H+](C)CC1 ZINC000894886812 1195582573 /nfs/dbraw/zinc/58/25/73/1195582573.db2.gz YLFVFSABHBKLQJ-UHFFFAOYSA-N 2 0 392.548 0.801 20 0 GCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416222025 1195590290 /nfs/dbraw/zinc/59/02/90/1195590290.db2.gz DBVUDHNKTPUJNO-LJQANCHMSA-N 2 0 390.528 0.928 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000550319509 1195604571 /nfs/dbraw/zinc/60/45/71/1195604571.db2.gz DCXRSOVHYIWTSY-GOSISDBHSA-N 2 0 394.560 0.938 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000579248019 1195629775 /nfs/dbraw/zinc/62/97/75/1195629775.db2.gz VZKCDLMRYXVSBZ-UHFFFAOYSA-N 2 0 381.565 0.463 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000550380885 1195648604 /nfs/dbraw/zinc/64/86/04/1195648604.db2.gz CDMIIBSMKVZUBN-GOSISDBHSA-N 2 0 395.592 0.707 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000550383889 1195651780 /nfs/dbraw/zinc/65/17/80/1195651780.db2.gz WSDJNWRSBCXKGQ-SJLPKXTDSA-N 2 0 379.549 0.141 20 0 GCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000983804105 1195674499 /nfs/dbraw/zinc/67/44/99/1195674499.db2.gz HLTZESKLBICHGF-ZJPYXAASSA-N 2 0 380.533 0.545 20 0 GCADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000441433830 1195686161 /nfs/dbraw/zinc/68/61/61/1195686161.db2.gz JEWDKKYPGJVAKF-DLBZAZTESA-N 2 0 392.548 1.400 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188946612 1195742003 /nfs/dbraw/zinc/74/20/03/1195742003.db2.gz ZTDBRPCSBMUJIV-ROUUACIJSA-N 2 0 383.581 0.747 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188946634 1195742064 /nfs/dbraw/zinc/74/20/64/1195742064.db2.gz ZTDBRPCSBMUJIV-MSOLQXFVSA-N 2 0 383.581 0.747 20 0 GCADRP CC[C@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000458982095 1195743256 /nfs/dbraw/zinc/74/32/56/1195743256.db2.gz PQCPEUNWBGKVGZ-CVEARBPZSA-N 2 0 391.582 0.372 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000536356048 1195744828 /nfs/dbraw/zinc/74/48/28/1195744828.db2.gz QTVDYFHVINKMPS-OTWHNJEPSA-N 2 0 375.517 0.167 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)o1 ZINC000189366064 1195746420 /nfs/dbraw/zinc/74/64/20/1195746420.db2.gz PBGISTMQAKMKJI-UHFFFAOYSA-N 2 0 390.488 0.875 20 0 GCADRP C[NH+]1C[C@H]2CN(C(=O)C(C)(C)CCC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000427791107 1195876168 /nfs/dbraw/zinc/87/61/68/1195876168.db2.gz VLWPWTDEANXCAL-USTZCAOPSA-N 2 0 376.545 0.833 20 0 GCADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474027800 1195932772 /nfs/dbraw/zinc/93/27/72/1195932772.db2.gz AESCSUPTULZNRQ-KRWDZBQOSA-N 2 0 396.580 0.289 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000550456291 1195961508 /nfs/dbraw/zinc/96/15/08/1195961508.db2.gz ILRAHEZLKPXJBC-MSOLQXFVSA-N 2 0 398.548 0.029 20 0 GCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000521104109 1195962650 /nfs/dbraw/zinc/96/26/50/1195962650.db2.gz KZLSLSMDDOHASQ-ZWKOTPCHSA-N 2 0 382.549 0.671 20 0 GCADRP C[NH+](CCCCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451152381 1195983470 /nfs/dbraw/zinc/98/34/70/1195983470.db2.gz YOUNMVKSMWLQKC-TUFLPTIASA-N 2 0 380.577 0.967 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000550457750 1195984667 /nfs/dbraw/zinc/98/46/67/1195984667.db2.gz NFXNIVGVXBRILG-RTBURBONSA-N 2 0 394.560 0.936 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000521300036 1195986355 /nfs/dbraw/zinc/98/63/55/1195986355.db2.gz QRBAYOXBSOJOTA-GOSISDBHSA-N 2 0 393.576 0.463 20 0 GCADRP COc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(OC)c1OCC(N)=O ZINC000521435872 1195996405 /nfs/dbraw/zinc/99/64/05/1195996405.db2.gz CPLBTTMKAOXZKA-BEFAXECRSA-N 2 0 393.484 0.896 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000521480979 1195999188 /nfs/dbraw/zinc/99/91/88/1195999188.db2.gz CPYPREWITWORLW-LJQANCHMSA-N 2 0 393.576 0.604 20 0 GCADRP COCC[N@H+](C)C[C@@H](O)CN1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000521642180 1196007902 /nfs/dbraw/zinc/00/79/02/1196007902.db2.gz XIXKRFBCDONWPG-FGZHOGPDSA-N 2 0 390.572 0.818 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000469764984 1196022594 /nfs/dbraw/zinc/02/25/94/1196022594.db2.gz QRBPNUWZLHTLSW-WBVHZDCISA-N 2 0 387.550 0.425 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000522028213 1196037488 /nfs/dbraw/zinc/03/74/88/1196037488.db2.gz BWPDSPAGAUKUJZ-ROUUACIJSA-N 2 0 382.549 0.719 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550475976 1196051116 /nfs/dbraw/zinc/05/11/16/1196051116.db2.gz FGMPDLLHHLNRPJ-UHFFFAOYSA-N 2 0 376.501 0.591 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000550480382 1196052155 /nfs/dbraw/zinc/05/21/55/1196052155.db2.gz DMKOPHYKQQFMTL-SFHVURJKSA-N 2 0 393.576 0.319 20 0 GCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000550511475 1196069350 /nfs/dbraw/zinc/06/93/50/1196069350.db2.gz SXTNZUVCBKAFDZ-UHFFFAOYSA-N 2 0 390.528 0.770 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550519387 1196071494 /nfs/dbraw/zinc/07/14/94/1196071494.db2.gz NPXUBIWGRVYADP-FUHWJXTLSA-N 2 0 381.565 0.460 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000443705003 1196093396 /nfs/dbraw/zinc/09/33/96/1196093396.db2.gz GBRBGVJDZPUSFT-MRXNPFEDSA-N 2 0 387.550 0.739 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114591365 1196106643 /nfs/dbraw/zinc/10/66/43/1196106643.db2.gz BLPICGWGVFJQKI-RTBURBONSA-N 2 0 383.581 0.796 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114591366 1196106716 /nfs/dbraw/zinc/10/67/16/1196106716.db2.gz BLPICGWGVFJQKI-RBUKOAKNSA-N 2 0 383.581 0.796 20 0 GCADRP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000895739759 1196110609 /nfs/dbraw/zinc/11/06/09/1196110609.db2.gz JAKURJGWCNLSQU-TUVASFSCSA-N 2 0 378.525 0.939 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC000840298491 1196115641 /nfs/dbraw/zinc/11/56/41/1196115641.db2.gz KJTINTAEQIMDTK-NVXWUHKLSA-N 2 0 382.505 0.376 20 0 GCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896468166 1196149540 /nfs/dbraw/zinc/14/95/40/1196149540.db2.gz NBKQBZWWTDMKJL-IPMKNSEASA-N 2 0 379.549 0.661 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000474788003 1196150650 /nfs/dbraw/zinc/15/06/50/1196150650.db2.gz CWUUHNQGVVPDHC-LJQANCHMSA-N 2 0 388.560 0.736 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532876 1196153577 /nfs/dbraw/zinc/15/35/77/1196153577.db2.gz NBGGMGMRUHQUHP-NBYUQASBSA-N 2 0 390.576 0.985 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)CC1=O ZINC000896564869 1196165329 /nfs/dbraw/zinc/16/53/29/1196165329.db2.gz TZZJWYUUYHYVEG-MLHJIOFPSA-N 2 0 379.549 0.070 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)CC1=O ZINC000896564867 1196165361 /nfs/dbraw/zinc/16/53/61/1196165361.db2.gz TZZJWYUUYHYVEG-BRSBDYLESA-N 2 0 379.549 0.070 20 0 GCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C[C@@H](O)CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000329178970 1196172263 /nfs/dbraw/zinc/17/22/63/1196172263.db2.gz CWOWXCQGOCJCPA-PJVZLEMVSA-N 2 0 396.576 0.725 20 0 GCADRP C[NH+]1CC[C@@]2(CCN(C(=O)COCC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000329234802 1196178896 /nfs/dbraw/zinc/17/88/96/1196178896.db2.gz MYNWQLVSRHZWFH-WOJBJXKFSA-N 2 0 378.517 0.111 20 0 GCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000329295801 1196183361 /nfs/dbraw/zinc/18/33/61/1196183361.db2.gz SPQKKYHKTSQPQO-UHFFFAOYSA-N 2 0 385.534 0.226 20 0 GCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@H](C)C1 ZINC000665460578 1196183756 /nfs/dbraw/zinc/18/37/56/1196183756.db2.gz OSOQZUFPEATFMO-IAGOWNOFSA-N 2 0 382.549 0.974 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@H](C)C1 ZINC000665460580 1196183826 /nfs/dbraw/zinc/18/38/26/1196183826.db2.gz OSOQZUFPEATFMO-SJORKVTESA-N 2 0 382.549 0.974 20 0 GCADRP CCN1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)CC1 ZINC000329939976 1196240931 /nfs/dbraw/zinc/24/09/31/1196240931.db2.gz FXLNAGCXQRPFPO-BPUTZDHNSA-N 2 0 382.484 0.779 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@@H]21 ZINC000330122402 1196254293 /nfs/dbraw/zinc/25/42/93/1196254293.db2.gz KHXQXADFBFDAKW-CEXWTWQISA-N 2 0 392.544 0.642 20 0 GCADRP C[NH+](C)[C@@H]1CCN(C(=O)CC2(C(=O)N3CC[C@@H]([NH+](C)C)C3)CCOCC2)C1 ZINC000330224469 1196260310 /nfs/dbraw/zinc/26/03/10/1196260310.db2.gz NSUFUVOEUYSKBT-IAGOWNOFSA-N 2 0 380.533 0.498 20 0 GCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCCC1 ZINC000281356656 1196290149 /nfs/dbraw/zinc/29/01/49/1196290149.db2.gz XKKHRKCQFXZEPO-KRWDZBQOSA-N 2 0 388.516 0.904 20 0 GCADRP CC[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC)[nH]n1 ZINC000665529948 1196304524 /nfs/dbraw/zinc/30/45/24/1196304524.db2.gz YPNLZZJUIBGYAL-GJZGRUSLSA-N 2 0 376.505 0.838 20 0 GCADRP CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)NC3CC[NH+](CC)CC3)O2)CC1 ZINC000665530653 1196305307 /nfs/dbraw/zinc/30/53/07/1196305307.db2.gz XJPNRCPJXKBFRO-HDICACEKSA-N 2 0 380.533 0.735 20 0 GCADRP COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281721220 1196325117 /nfs/dbraw/zinc/32/51/17/1196325117.db2.gz UOGPOOGLKNNXCK-DOTOQJQBSA-N 2 0 387.546 0.965 20 0 GCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1(C)C ZINC000444175075 1196356939 /nfs/dbraw/zinc/35/69/39/1196356939.db2.gz YXRRFDKATVDATP-UTKZUKDTSA-N 2 0 394.560 0.922 20 0 GCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1(C)C ZINC000444175073 1196357181 /nfs/dbraw/zinc/35/71/81/1196357181.db2.gz YXRRFDKATVDATP-DYESRHJHSA-N 2 0 394.560 0.922 20 0 GCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000444272351 1196370208 /nfs/dbraw/zinc/37/02/08/1196370208.db2.gz VXHOMAUTMGYCJJ-RDTXWAMCSA-N 2 0 380.493 0.032 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000522985978 1196373610 /nfs/dbraw/zinc/37/36/10/1196373610.db2.gz YFMLRHLLJXEPNG-UXHICEINSA-N 2 0 389.544 0.995 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000103211978 1196374652 /nfs/dbraw/zinc/37/46/52/1196374652.db2.gz PPJFJJRZTDLMSY-UHFFFAOYSA-N 2 0 382.530 0.792 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000475125215 1196381954 /nfs/dbraw/zinc/38/19/54/1196381954.db2.gz PBFHYIVJLBCEPP-INIZCTEOSA-N 2 0 381.521 0.080 20 0 GCADRP Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104533083 1196385622 /nfs/dbraw/zinc/38/56/22/1196385622.db2.gz MFSIZPNWSHVTSD-UHFFFAOYSA-N 2 0 376.509 0.208 20 0 GCADRP C[C@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000665719742 1196449122 /nfs/dbraw/zinc/44/91/22/1196449122.db2.gz RHTIQNJMPCDZIO-KRWDZBQOSA-N 2 0 381.565 0.813 20 0 GCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000523120516 1196489408 /nfs/dbraw/zinc/48/94/08/1196489408.db2.gz RFEOADBOCPLAOK-INIZCTEOSA-N 2 0 375.473 0.143 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000671034698 1196576410 /nfs/dbraw/zinc/57/64/10/1196576410.db2.gz NDJXAPNUEKQFOB-QGZVFWFLSA-N 2 0 381.565 0.367 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000446048037 1196609805 /nfs/dbraw/zinc/60/98/05/1196609805.db2.gz SAVDBZPSHLQEHT-UHFFFAOYSA-N 2 0 376.501 0.956 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000446050316 1196610453 /nfs/dbraw/zinc/61/04/53/1196610453.db2.gz FTFMJLUVEUJQKK-QGZVFWFLSA-N 2 0 389.544 0.729 20 0 GCADRP CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000524626786 1196612012 /nfs/dbraw/zinc/61/20/12/1196612012.db2.gz BAOLMZZOWRHCBS-OAHLLOKOSA-N 2 0 399.561 0.791 20 0 GCADRP CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000524626785 1196612172 /nfs/dbraw/zinc/61/21/72/1196612172.db2.gz BAOLMZZOWRHCBS-HNNXBMFYSA-N 2 0 399.561 0.791 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446265265 1196631169 /nfs/dbraw/zinc/63/11/69/1196631169.db2.gz DCRMQZGBOAWJIP-STXHMFSFSA-N 2 0 399.499 0.544 20 0 GCADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000446363581 1196637978 /nfs/dbraw/zinc/63/79/78/1196637978.db2.gz NIAQBLCNOLHJKR-MDYRTPRTSA-N 2 0 378.517 0.286 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000446371163 1196638663 /nfs/dbraw/zinc/63/86/63/1196638663.db2.gz OJUHBNURKLEPBU-SIXWZSSISA-N 2 0 392.504 0.032 20 0 GCADRP CCCS(=O)(=O)N1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000524936423 1196639772 /nfs/dbraw/zinc/63/97/72/1196639772.db2.gz HILIBEDWQMTUOI-UHFFFAOYSA-N 2 0 391.582 0.325 20 0 GCADRP Cc1nn(C)c(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000446714742 1196659442 /nfs/dbraw/zinc/65/94/42/1196659442.db2.gz MWLCOFXRLLKPAO-UHFFFAOYSA-N 2 0 399.499 0.699 20 0 GCADRP C[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCO1 ZINC001168089797 1196690327 /nfs/dbraw/zinc/69/03/27/1196690327.db2.gz ZYGJCSMSFGKZTC-ROUUACIJSA-N 2 0 378.510 0.185 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1 ZINC000429714700 1196692462 /nfs/dbraw/zinc/69/24/62/1196692462.db2.gz HCGKZHPMNBBYSD-KZNAEPCWSA-N 2 0 396.557 0.856 20 0 GCADRP COC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000525882624 1196720354 /nfs/dbraw/zinc/72/03/54/1196720354.db2.gz RQIHLQJDKHOBNA-UHFFFAOYSA-N 2 0 378.473 0.672 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000525885006 1196721230 /nfs/dbraw/zinc/72/12/30/1196721230.db2.gz WKUOVEIKHLRXJP-UHFFFAOYSA-N 2 0 390.488 0.696 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000526183794 1196742967 /nfs/dbraw/zinc/74/29/67/1196742967.db2.gz APESLJPDXIHGIJ-UHFFFAOYSA-N 2 0 397.545 0.966 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000526134930 1196744508 /nfs/dbraw/zinc/74/45/08/1196744508.db2.gz UWRYCROMSZNDDF-UHFFFAOYSA-N 2 0 384.550 0.932 20 0 GCADRP Cn1cc(-c2ncccc2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000526964553 1196752786 /nfs/dbraw/zinc/75/27/86/1196752786.db2.gz OEFRSANCPAHNHR-UHFFFAOYSA-N 2 0 387.488 0.372 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H](CO)[C@H]1CCCO1 ZINC000447973054 1196762848 /nfs/dbraw/zinc/76/28/48/1196762848.db2.gz BEPMHEDGBPEWDO-ZWKOTPCHSA-N 2 0 377.489 0.433 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H](CO)[C@@H]1CCCO1 ZINC000447973051 1196763221 /nfs/dbraw/zinc/76/32/21/1196763221.db2.gz BEPMHEDGBPEWDO-MSOLQXFVSA-N 2 0 377.489 0.433 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000448149282 1196777709 /nfs/dbraw/zinc/77/77/09/1196777709.db2.gz VFUKJFMIKGQBAZ-SFHVURJKSA-N 2 0 383.581 0.796 20 0 GCADRP COC(=O)c1ccc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527374314 1196784154 /nfs/dbraw/zinc/78/41/54/1196784154.db2.gz SRQSIKISFIKGFN-UHFFFAOYSA-N 2 0 378.473 0.672 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000527374234 1196784333 /nfs/dbraw/zinc/78/43/33/1196784333.db2.gz LJRTZPLVXQVPHA-UHFFFAOYSA-N 2 0 384.864 0.959 20 0 GCADRP CN(C(=O)Cc1ncccc1F)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000527453360 1196785683 /nfs/dbraw/zinc/78/56/83/1196785683.db2.gz LJZWPJSWRLGYMP-UHFFFAOYSA-N 2 0 391.491 0.460 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000448532775 1196813542 /nfs/dbraw/zinc/81/35/42/1196813542.db2.gz PBXHAVXCNXWRGG-QGZVFWFLSA-N 2 0 384.484 0.774 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528712125 1196880041 /nfs/dbraw/zinc/88/00/41/1196880041.db2.gz BRFZQSGDXBMWHF-UHFFFAOYSA-N 2 0 387.484 0.941 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cn(-c2cccnc2)nn1 ZINC000449816829 1196900320 /nfs/dbraw/zinc/90/03/20/1196900320.db2.gz AXDKTXIHGHWZKX-UHFFFAOYSA-N 2 0 392.467 0.999 20 0 GCADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000529374605 1196919967 /nfs/dbraw/zinc/91/99/67/1196919967.db2.gz GEGSDRQBVSKXKE-UHOSZYNNSA-N 2 0 381.565 0.953 20 0 GCADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000451087844 1196969648 /nfs/dbraw/zinc/96/96/48/1196969648.db2.gz VLYHZZKTPWTFFJ-LSTHTHJFSA-N 2 0 382.593 0.681 20 0 GCADRP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000530567124 1196996724 /nfs/dbraw/zinc/99/67/24/1196996724.db2.gz ALBLISOZMVTDLW-HNNXBMFYSA-N 2 0 389.500 0.973 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CC1=O ZINC000530572107 1196997374 /nfs/dbraw/zinc/99/73/74/1196997374.db2.gz IMEALGLKZMUMJZ-GOSISDBHSA-N 2 0 387.528 0.783 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000530713873 1197009330 /nfs/dbraw/zinc/00/93/30/1197009330.db2.gz JTJOBXDGQUEDLJ-IBGZPJMESA-N 2 0 375.473 0.307 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530814794 1197018759 /nfs/dbraw/zinc/01/87/59/1197018759.db2.gz HHYREYUIFHBERD-NQIIRXRSSA-N 2 0 388.512 0.327 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CC1 ZINC000376385313 1197074056 /nfs/dbraw/zinc/07/40/56/1197074056.db2.gz LNNONNNTPBYOFP-UHFFFAOYSA-N 2 0 394.608 0.870 20 0 GCADRP COc1ccccc1N1CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000531545177 1197083865 /nfs/dbraw/zinc/08/38/65/1197083865.db2.gz WISPMYUWSKPCDH-MRXNPFEDSA-N 2 0 391.516 0.935 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000532036629 1197108059 /nfs/dbraw/zinc/10/80/59/1197108059.db2.gz WUDWEQMMOSFOSM-GOSISDBHSA-N 2 0 399.576 0.959 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000453805517 1197139046 /nfs/dbraw/zinc/13/90/46/1197139046.db2.gz LSGIYXAVERJQAU-KRWDZBQOSA-N 2 0 376.501 0.692 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)CC[N@@H+]1C ZINC000986189764 1197153533 /nfs/dbraw/zinc/15/35/33/1197153533.db2.gz FNHWJKYSRQHMBF-OQIJWPOYSA-N 2 0 376.545 0.975 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000176190302 1197185661 /nfs/dbraw/zinc/18/56/61/1197185661.db2.gz HJOZKBAPMLOQLW-IBGZPJMESA-N 2 0 381.565 0.765 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000176828499 1197188103 /nfs/dbraw/zinc/18/81/03/1197188103.db2.gz LTTJHGRXCMCNAA-MJGOQNOKSA-N 2 0 392.544 0.642 20 0 GCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000179285924 1197197389 /nfs/dbraw/zinc/19/73/89/1197197389.db2.gz AEKPGVCDTHIISQ-SFHVURJKSA-N 2 0 381.565 0.766 20 0 GCADRP O=C(NCC[NH+]1CCCCC1)c1cc(C(=O)NCC[NH+]2CCCCC2)[nH]n1 ZINC000666424549 1197275188 /nfs/dbraw/zinc/27/51/88/1197275188.db2.gz RPXDZUHVJFWCIR-UHFFFAOYSA-N 2 0 376.505 0.841 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C)CC[N@@H+]1C ZINC000988322839 1197309041 /nfs/dbraw/zinc/30/90/41/1197309041.db2.gz MBMXZTRUHSQJIT-AHCXZYCDSA-N 2 0 380.533 0.543 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCN2CC[NH+](CC)CC2)CC1=O ZINC000105319301 1197326693 /nfs/dbraw/zinc/32/66/93/1197326693.db2.gz ICXAGVSEVRSMDT-RTBURBONSA-N 2 0 393.576 0.463 20 0 GCADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000332969890 1197348366 /nfs/dbraw/zinc/34/83/66/1197348366.db2.gz LHYDNIBUAMVZFB-IRXDYDNUSA-N 2 0 381.521 0.045 20 0 GCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418804045 1197351125 /nfs/dbraw/zinc/35/11/25/1197351125.db2.gz LVUCBNZCDHVECA-UHFFFAOYSA-N 2 0 392.544 0.811 20 0 GCADRP NC(=O)CC1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000048025355 1197370882 /nfs/dbraw/zinc/37/08/82/1197370882.db2.gz MRNVZUMHFXVVSR-UHFFFAOYSA-N 2 0 380.533 0.725 20 0 GCADRP C[C@H]([NH2+]C1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000418865451 1197382983 /nfs/dbraw/zinc/38/29/83/1197382983.db2.gz LWOMIJYOGCMNML-WMZOPIPTSA-N 2 0 388.512 0.952 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)CC1=O ZINC000133869933 1197384059 /nfs/dbraw/zinc/38/40/59/1197384059.db2.gz YMTAZPMVCNMMPW-GUDVDZBRSA-N 2 0 394.560 0.672 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(C(N)=O)cs1 ZINC000666719720 1197390455 /nfs/dbraw/zinc/39/04/55/1197390455.db2.gz ONNGMUFAYRPFKH-CYBMUJFWSA-N 2 0 382.534 0.800 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCc3nnn(C(C)(C)C)n3)[C@@H]2C)CC[N@@H+]1C ZINC001088577185 1197394185 /nfs/dbraw/zinc/39/41/85/1197394185.db2.gz FFHJXWCXJZIDGS-FPCVCCKLSA-N 2 0 377.537 0.890 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088577732 1197396827 /nfs/dbraw/zinc/39/68/27/1197396827.db2.gz LRTOCQCFCNDIIL-FPCVCCKLSA-N 2 0 393.532 0.626 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088577876 1197397001 /nfs/dbraw/zinc/39/70/01/1197397001.db2.gz UKMUMERMGXBRBE-TUVASFSCSA-N 2 0 379.505 0.236 20 0 GCADRP COCC[NH2+]CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237168503 1197401393 /nfs/dbraw/zinc/40/13/93/1197401393.db2.gz YFZVRXCXPHYWKJ-GOSISDBHSA-N 2 0 375.517 0.678 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)N1CC[NH+](C)CC1 ZINC000419122794 1197410917 /nfs/dbraw/zinc/41/09/17/1197410917.db2.gz FZTLGTROGJRMKK-SJORKVTESA-N 2 0 381.565 0.269 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000419204121 1197413244 /nfs/dbraw/zinc/41/32/44/1197413244.db2.gz IEMYFTMKCNNPGL-YTQUADARSA-N 2 0 388.512 0.829 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419347127 1197417694 /nfs/dbraw/zinc/41/76/94/1197417694.db2.gz WICAMVQUBWGDTG-IBGZPJMESA-N 2 0 387.528 0.309 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000419512375 1197421068 /nfs/dbraw/zinc/42/10/68/1197421068.db2.gz JOOJTXDPYOYJFO-SFHVURJKSA-N 2 0 387.528 0.573 20 0 GCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000533571961 1197459095 /nfs/dbraw/zinc/45/90/95/1197459095.db2.gz HKWFDVTZVUEGAW-ICSRJNTNSA-N 2 0 377.533 0.587 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1=O ZINC000246351712 1197465348 /nfs/dbraw/zinc/46/53/48/1197465348.db2.gz DDQFQRZUYMXZJO-QRVBRYPASA-N 2 0 394.560 0.792 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000246383331 1197466694 /nfs/dbraw/zinc/46/66/94/1197466694.db2.gz HSPSMMRGIPTXBW-FGTMMUONSA-N 2 0 379.549 0.071 20 0 GCADRP CCC[NH+]1CCC(NC(=O)COCC(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000105593860 1197470901 /nfs/dbraw/zinc/47/09/01/1197470901.db2.gz YNLHWKPOODZMDP-UHFFFAOYSA-N 2 0 382.549 0.984 20 0 GCADRP CC1CC[NH+](CCNC(=O)COCC(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000105595541 1197471049 /nfs/dbraw/zinc/47/10/49/1197471049.db2.gz XMMYDEIPAWQXSK-UHFFFAOYSA-N 2 0 382.549 0.699 20 0 GCADRP OC(C[NH+]1CCC[C@@H](Cn2ccnn2)C1)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000248740982 1197479893 /nfs/dbraw/zinc/47/98/93/1197479893.db2.gz PSCFWVKWTJFNSP-QZTJIDSGSA-N 2 0 388.520 0.355 20 0 GCADRP CC(C)[C@@H](C(=O)NCCN1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)[NH+](C)C ZINC000614909062 1197486616 /nfs/dbraw/zinc/48/66/16/1197486616.db2.gz OOXZNGDMSDUVHU-ROUUACIJSA-N 2 0 383.581 0.419 20 0 GCADRP C[NH+]1CCCC[C@@H]1C(=O)N1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000614909695 1197486757 /nfs/dbraw/zinc/48/67/57/1197486757.db2.gz WFRHVHUKHFJNEZ-QZTJIDSGSA-N 2 0 379.549 0.215 20 0 GCADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000261743395 1197512953 /nfs/dbraw/zinc/51/29/53/1197512953.db2.gz PKSNCQMSEZWKAG-GOSISDBHSA-N 2 0 383.514 0.757 20 0 GCADRP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261787459 1197514527 /nfs/dbraw/zinc/51/45/27/1197514527.db2.gz HYTLMQZWKMEWNN-HKUYNNGSSA-N 2 0 388.512 0.892 20 0 GCADRP O=C(NC[C@@H]1CCCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261884596 1197517590 /nfs/dbraw/zinc/51/75/90/1197517590.db2.gz PRUJTZRTPLBWPV-BFHYXJOUSA-N 2 0 376.423 0.730 20 0 GCADRP COc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000261977079 1197521828 /nfs/dbraw/zinc/52/18/28/1197521828.db2.gz BTNLYOSZNPHLLY-KRWDZBQOSA-N 2 0 395.525 0.506 20 0 GCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262007202 1197522260 /nfs/dbraw/zinc/52/22/60/1197522260.db2.gz GZDVNQUMFWPFCF-MRXNPFEDSA-N 2 0 382.530 0.756 20 0 GCADRP O=C(CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000262014557 1197522854 /nfs/dbraw/zinc/52/28/54/1197522854.db2.gz FRZKNJHANDFXLP-INIZCTEOSA-N 2 0 398.504 0.390 20 0 GCADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(OC)c1OCC(N)=O ZINC000262136810 1197526117 /nfs/dbraw/zinc/52/61/17/1197526117.db2.gz OVGPFSKPBUTFKM-HNNXBMFYSA-N 2 0 378.473 0.047 20 0 GCADRP COc1cc(CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000262247670 1197528029 /nfs/dbraw/zinc/52/80/29/1197528029.db2.gz WPIAOGFBCLHCAM-UHFFFAOYSA-N 2 0 376.501 0.643 20 0 GCADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428600656 1197550325 /nfs/dbraw/zinc/55/03/25/1197550325.db2.gz NFXUFOMIDBBYGX-KRWDZBQOSA-N 2 0 388.512 0.911 20 0 GCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428625742 1197557492 /nfs/dbraw/zinc/55/74/92/1197557492.db2.gz HVIODRPFEWYQNO-SFHVURJKSA-N 2 0 392.544 0.692 20 0 GCADRP CC(C)OCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001791 1198994927 /nfs/dbraw/zinc/99/49/27/1198994927.db2.gz HUNTVWJRTATECS-UHFFFAOYSA-N 2 0 377.489 0.251 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672008880 1199000326 /nfs/dbraw/zinc/00/03/26/1199000326.db2.gz MGQCFYFQFXZNQP-KRWDZBQOSA-N 2 0 393.576 0.319 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010156 1199002454 /nfs/dbraw/zinc/00/24/54/1199002454.db2.gz UITUJQSKQAFGSL-QFBILLFUSA-N 2 0 393.576 0.460 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013532 1199005428 /nfs/dbraw/zinc/00/54/28/1199005428.db2.gz FETASLUNYQKHKS-OAHLLOKOSA-N 2 0 382.549 0.839 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672014985 1199005468 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NTECERHKTNPXOW-RTBURBONSA-N 2 0 376.501 0.426 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000627302458 1199116673 /nfs/dbraw/zinc/11/66/73/1199116673.db2.gz MYNZPCGKUAXMHF-TZMCWYRMSA-N 2 0 394.438 0.199 20 0 GCADRP Cc1nccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C2 ZINC001000558349 1199118696 /nfs/dbraw/zinc/11/86/96/1199118696.db2.gz AJMCPWOSJMXNEA-MTSZKFMLSA-N 2 0 382.468 0.977 20 0 GCADRP Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1=O ZINC000542888322 1199140483 /nfs/dbraw/zinc/14/04/83/1199140483.db2.gz TYXPDUXXMMEJBU-UHFFFAOYSA-N 2 0 398.467 0.047 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000672166076 1199150084 /nfs/dbraw/zinc/15/00/84/1199150084.db2.gz JXTQAKFZBDAJNN-SFHVURJKSA-N 2 0 380.533 0.690 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000465894864 1199156574 /nfs/dbraw/zinc/15/65/74/1199156574.db2.gz BMTZAJDZMWOKRN-MOPGFXCFSA-N 3 0 382.597 0.680 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672204344 1199159137 /nfs/dbraw/zinc/15/91/37/1199159137.db2.gz LPDQRVYMKYARFI-QZTJIDSGSA-N 2 0 379.549 0.215 20 0 GCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000265777145 1199170061 /nfs/dbraw/zinc/17/00/61/1199170061.db2.gz UPIGQCSTNZXSGR-MSOLQXFVSA-N 2 0 375.517 0.798 20 0 GCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465926062 1199183246 /nfs/dbraw/zinc/18/32/46/1199183246.db2.gz HFSBOLYQNNQZFL-OALUTQOASA-N 2 0 381.565 0.645 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672308874 1199199305 /nfs/dbraw/zinc/19/93/05/1199199305.db2.gz BMSHXEXWNSVTDH-KRWDZBQOSA-N 2 0 379.549 0.071 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000672308258 1199199371 /nfs/dbraw/zinc/19/93/71/1199199371.db2.gz GWKGEZIUVMRBFW-ROUUACIJSA-N 2 0 378.517 0.158 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000672311219 1199201311 /nfs/dbraw/zinc/20/13/11/1199201311.db2.gz BALXTPFAOIKMOU-WDSOQIARSA-N 2 0 394.560 0.840 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672311567 1199204995 /nfs/dbraw/zinc/20/49/95/1199204995.db2.gz JDGFXQXDHXRFQK-QZTJIDSGSA-N 2 0 380.533 0.546 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000465949331 1199214350 /nfs/dbraw/zinc/21/43/50/1199214350.db2.gz DZKCCGPEPOVJPD-KRWDZBQOSA-N 2 0 396.580 0.241 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952941 1199218763 /nfs/dbraw/zinc/21/87/63/1199218763.db2.gz SGFWBGSUMHFOJT-ZWKOTPCHSA-N 2 0 396.580 0.147 20 0 GCADRP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000465957397 1199226299 /nfs/dbraw/zinc/22/62/99/1199226299.db2.gz QBBSQWMYAHMWAB-MSOLQXFVSA-N 2 0 396.580 0.145 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639544 1199291231 /nfs/dbraw/zinc/29/12/31/1199291231.db2.gz QDZJWBRFJIVVFR-ZWKOTPCHSA-N 2 0 391.560 0.215 20 0 GCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672639078 1199293042 /nfs/dbraw/zinc/29/30/42/1199293042.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640419 1199294718 /nfs/dbraw/zinc/29/47/18/1199294718.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 2 0 377.533 0.038 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641307 1199297861 /nfs/dbraw/zinc/29/78/61/1199297861.db2.gz OYUOYBQBLVUMGE-QGZVFWFLSA-N 2 0 391.560 0.262 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642562 1199300718 /nfs/dbraw/zinc/30/07/18/1199300718.db2.gz CQOQSDZSMXSPEP-HKUYNNGSSA-N 2 0 391.560 0.358 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642950 1199302527 /nfs/dbraw/zinc/30/25/27/1199302527.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643006 1199305807 /nfs/dbraw/zinc/30/58/07/1199305807.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 2 0 377.533 0.013 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672655599 1199310237 /nfs/dbraw/zinc/31/02/37/1199310237.db2.gz MDDKRYVDYARNBS-IBGZPJMESA-N 2 0 394.560 0.938 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000672696163 1199316112 /nfs/dbraw/zinc/31/61/12/1199316112.db2.gz UBTZMZIRGURHQN-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672690093 1199316629 /nfs/dbraw/zinc/31/66/29/1199316629.db2.gz NIRRTICCWWMXHF-DLBZAZTESA-N 2 0 380.533 0.594 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672692648 1199317536 /nfs/dbraw/zinc/31/75/36/1199317536.db2.gz HIHOPNDJQWGLLR-PKOBYXMFSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466001449 1199335776 /nfs/dbraw/zinc/33/57/76/1199335776.db2.gz XDXCMHICZPWJDI-ZWKOTPCHSA-N 2 0 381.565 0.670 20 0 GCADRP COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000672859989 1199349934 /nfs/dbraw/zinc/34/99/34/1199349934.db2.gz NNJXTHLBKOQCKD-KRWDZBQOSA-N 2 0 392.500 0.587 20 0 GCADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000627339129 1199421481 /nfs/dbraw/zinc/42/14/81/1199421481.db2.gz ZTQSVDRFWFDAPA-KRWDZBQOSA-N 2 0 378.448 0.011 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423435971 1199477063 /nfs/dbraw/zinc/47/70/63/1199477063.db2.gz FCORPBITDKEDRT-NRFANRHFSA-N 2 0 392.544 0.692 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000423471878 1199479180 /nfs/dbraw/zinc/47/91/80/1199479180.db2.gz FORRAJKFCACWJK-NRFANRHFSA-N 2 0 388.512 0.940 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000466147496 1199495735 /nfs/dbraw/zinc/49/57/35/1199495735.db2.gz SPBOJRFUBSMJKT-VQTJNVASSA-N 3 0 396.624 0.927 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)CN1CCOCC1 ZINC000627346448 1199496167 /nfs/dbraw/zinc/49/61/67/1199496167.db2.gz RAZYNWZRHCACAO-MGPQQGTHSA-N 2 0 394.438 0.057 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000673307736 1199533195 /nfs/dbraw/zinc/53/31/95/1199533195.db2.gz OJIPFISOGXJTEN-RCCFBDPRSA-N 2 0 382.549 0.983 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000627349305 1199535784 /nfs/dbraw/zinc/53/57/84/1199535784.db2.gz JFNYZSDYQCSWBY-NMKXLXIOSA-N 2 0 376.423 0.714 20 0 GCADRP Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(OCC[NH+](C)C)c1 ZINC000265830192 1199537878 /nfs/dbraw/zinc/53/78/78/1199537878.db2.gz RUDHSYDLCQSUII-INIZCTEOSA-N 2 0 391.516 0.236 20 0 GCADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000673351598 1199566561 /nfs/dbraw/zinc/56/65/61/1199566561.db2.gz LCHLDCMSQVCEOF-UHFFFAOYSA-N 2 0 390.528 0.724 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CCCO1 ZINC000673428058 1199630123 /nfs/dbraw/zinc/63/01/23/1199630123.db2.gz UVMHMFFXZSCFPB-QGZVFWFLSA-N 2 0 394.516 0.787 20 0 GCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000673427675 1199630594 /nfs/dbraw/zinc/63/05/94/1199630594.db2.gz GRMBHUGKXJPGCN-DLBZAZTESA-N 2 0 382.549 0.792 20 0 GCADRP COC(CNC(=O)C[NH+]1CCC(C)CC1)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000543330841 1199659139 /nfs/dbraw/zinc/65/91/39/1199659139.db2.gz ZLZVPMGPJRIBHT-UHFFFAOYSA-N 2 0 382.549 0.698 20 0 GCADRP C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000673559338 1199798942 /nfs/dbraw/zinc/79/89/42/1199798942.db2.gz QHMLUHZGHILZGN-YJBOKZPZSA-N 2 0 379.505 0.930 20 0 GCADRP C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000673559337 1199799096 /nfs/dbraw/zinc/79/90/96/1199799096.db2.gz QHMLUHZGHILZGN-QAPCUYQASA-N 2 0 379.505 0.930 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584836 1199828846 /nfs/dbraw/zinc/82/88/46/1199828846.db2.gz RRIIHKBSGOXQMJ-QZTJIDSGSA-N 2 0 380.533 0.329 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583856 1199831039 /nfs/dbraw/zinc/83/10/39/1199831039.db2.gz OHVKSUDHHVEVDI-MSOLQXFVSA-N 2 0 392.544 0.567 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000673637181 1199898942 /nfs/dbraw/zinc/89/89/42/1199898942.db2.gz JLNVCPDANYJYHB-INIZCTEOSA-N 2 0 389.500 0.327 20 0 GCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157467314 1199918322 /nfs/dbraw/zinc/91/83/22/1199918322.db2.gz ILYDWOPKRZFWHP-MSOLQXFVSA-N 2 0 382.549 0.839 20 0 GCADRP Cc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000673669779 1199926377 /nfs/dbraw/zinc/92/63/77/1199926377.db2.gz UELCWPJGHVPJJE-OAHLLOKOSA-N 2 0 380.514 0.541 20 0 GCADRP CC(C)(CO)N1CC[NH+](CCCCCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896752 1199970631 /nfs/dbraw/zinc/97/06/31/1199970631.db2.gz WXHQNPGQENGXJB-UHFFFAOYSA-N 2 0 384.609 0.934 20 0 GCADRP C[C@@H](C(=O)NCc1cccnc1N1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000674289259 1200213090 /nfs/dbraw/zinc/21/30/90/1200213090.db2.gz BPQNYDNQBRBLAC-HOTGVXAUSA-N 2 0 390.532 0.247 20 0 GCADRP CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccco1 ZINC000670526490 1200404241 /nfs/dbraw/zinc/40/42/41/1200404241.db2.gz YPOHZZRUVUWMMX-SJORKVTESA-N 2 0 391.516 0.237 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000675536160 1200426895 /nfs/dbraw/zinc/42/68/95/1200426895.db2.gz HEKFJCYYGATMCH-KRWDZBQOSA-N 3 0 381.565 0.689 20 0 GCADRP CN(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccsc1 ZINC000448487326 1200638155 /nfs/dbraw/zinc/63/81/55/1200638155.db2.gz GMABLQPIBHWTIQ-AWEZNQCLSA-N 2 0 378.502 0.864 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000438704436 1200643349 /nfs/dbraw/zinc/64/33/49/1200643349.db2.gz ZMAKZDYIFXVAIC-HXUWFJFHSA-N 2 0 386.500 1.203 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)n2)CC1 ZINC000408369648 1200672812 /nfs/dbraw/zinc/67/28/12/1200672812.db2.gz ACPQUENOXUVGAX-WBVHZDCISA-N 2 0 388.516 1.031 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000568157921 1200677186 /nfs/dbraw/zinc/67/71/86/1200677186.db2.gz ZARNNUHUWGEGTM-UHFFFAOYSA-N 2 0 377.537 1.299 20 0 GCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448508388 1200680955 /nfs/dbraw/zinc/68/09/55/1200680955.db2.gz SAUCPZWZYGMITF-AEFFLSMTSA-N 2 0 398.511 1.335 20 0 GCADRP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535002316 1200693765 /nfs/dbraw/zinc/69/37/65/1200693765.db2.gz KIRUZNAHUCEOMO-IRXDYDNUSA-N 2 0 377.537 0.934 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000477063631 1200810100 /nfs/dbraw/zinc/81/01/00/1200810100.db2.gz IXNZFERRPRZPQF-CGTJXYLNSA-N 2 0 382.549 0.717 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000477111270 1200834788 /nfs/dbraw/zinc/83/47/88/1200834788.db2.gz XZPLHWWKJZTGMT-GOSISDBHSA-N 2 0 395.592 0.850 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000441736711 1200863325 /nfs/dbraw/zinc/86/33/25/1200863325.db2.gz BQAAPXQSQNEDPM-IRXDYDNUSA-N 2 0 398.467 0.700 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000603771440 1200863347 /nfs/dbraw/zinc/86/33/47/1200863347.db2.gz KLIYWPJFNKXNLP-KRWDZBQOSA-N 2 0 398.467 0.919 20 0 GCADRP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923283316 1200924668 /nfs/dbraw/zinc/92/46/68/1200924668.db2.gz UVCFPMIPBDNREX-ROUUACIJSA-N 2 0 391.512 0.969 20 0 GCADRP NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369822 1200968852 /nfs/dbraw/zinc/96/88/52/1200968852.db2.gz PNJKIKICIKNDAL-DLBZAZTESA-N 2 0 378.904 0.863 20 0 GCADRP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000923377597 1200973556 /nfs/dbraw/zinc/97/35/56/1200973556.db2.gz ODJOSTGLWQSZLB-MISYRCLQSA-N 2 0 388.512 0.955 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000366004279 1201072035 /nfs/dbraw/zinc/07/20/35/1201072035.db2.gz MXVPQQDVBQMDNI-MRXNPFEDSA-N 2 0 390.532 1.469 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000923586689 1201178078 /nfs/dbraw/zinc/17/80/78/1201178078.db2.gz GYFFLJUBQWSJPX-UHFFFAOYSA-N 2 0 395.573 0.637 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001079152530 1201247050 /nfs/dbraw/zinc/24/70/50/1201247050.db2.gz PYAVETZUZZPEJF-NKGKWGDASA-N 2 0 376.476 0.925 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC3(CC[NH+](CC(=O)N(C)C)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C ZINC001079243191 1201251714 /nfs/dbraw/zinc/25/17/14/1201251714.db2.gz QOUDXFDGGYIZHX-ZJPYXAASSA-N 2 0 392.544 0.354 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735588758 1201693966 /nfs/dbraw/zinc/69/39/66/1201693966.db2.gz CKWXUGUKEQSPRR-HZPDHXFCSA-N 2 0 390.484 0.675 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000735592357 1201695064 /nfs/dbraw/zinc/69/50/64/1201695064.db2.gz DRKDLSCVCPMQQJ-SJLPKXTDSA-N 2 0 390.484 0.545 20 0 GCADRP CN(C(=O)COCCOCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000741623515 1201781971 /nfs/dbraw/zinc/78/19/71/1201781971.db2.gz CSVBWCNQQBPDQW-QZTJIDSGSA-N 2 0 398.548 0.125 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000743919366 1201828485 /nfs/dbraw/zinc/82/84/85/1201828485.db2.gz HMYAXGQHXYSTED-INIZCTEOSA-N 2 0 389.500 0.214 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000743947053 1201830451 /nfs/dbraw/zinc/83/04/51/1201830451.db2.gz NBGFCCIKLBHHLW-QGZVFWFLSA-N 2 0 398.467 0.965 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1CC[NH+](C)CC1 ZINC001169162213 1201934218 /nfs/dbraw/zinc/93/42/18/1201934218.db2.gz KHNRWWUCCLMGPK-OAHLLOKOSA-N 2 0 390.532 0.924 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001169180548 1201937797 /nfs/dbraw/zinc/93/77/97/1201937797.db2.gz HNOGDZDLJCLTAH-KKUMJFAQSA-N 2 0 376.505 0.852 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2nccn2CC1 ZINC001169208579 1201938445 /nfs/dbraw/zinc/93/84/45/1201938445.db2.gz OZWZYJRILIDLKP-OAHLLOKOSA-N 2 0 399.499 0.747 20 0 GCADRP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001169472459 1201949792 /nfs/dbraw/zinc/94/97/92/1201949792.db2.gz QXFHXWWMIHHNDW-KZNAEPCWSA-N 2 0 382.549 0.744 20 0 GCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001109397966 1202037305 /nfs/dbraw/zinc/03/73/05/1202037305.db2.gz QNQPFKJQMQMVAC-YDZRNGNQSA-N 2 0 381.517 0.360 20 0 GCADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001109397965 1202037485 /nfs/dbraw/zinc/03/74/85/1202037485.db2.gz QNQPFKJQMQMVAC-XWSJACJDSA-N 2 0 381.517 0.360 20 0 GCADRP CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399788 1202037674 /nfs/dbraw/zinc/03/76/74/1202037674.db2.gz XCJIWXWNLPOPLX-FZKCQIBNSA-N 2 0 379.505 0.426 20 0 GCADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC001109410745 1202039594 /nfs/dbraw/zinc/03/95/94/1202039594.db2.gz SXQYFOVPKWZCOO-BDXSIMOUSA-N 2 0 378.517 0.176 20 0 GCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001109427998 1202046917 /nfs/dbraw/zinc/04/69/17/1202046917.db2.gz HHSCICKAQZRRDU-GJGATLCTSA-N 2 0 380.533 0.277 20 0 GCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538728 1202076260 /nfs/dbraw/zinc/07/62/60/1202076260.db2.gz PMRLALCXTKDWOA-IBTBTWTJSA-N 2 0 379.501 0.234 20 0 GCADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC001109672567 1202103487 /nfs/dbraw/zinc/10/34/87/1202103487.db2.gz KPORCFFOCOWBSN-ILXRZTDVSA-N 2 0 379.505 0.380 20 0 GCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cc1ccccc1 ZINC001109977279 1202165145 /nfs/dbraw/zinc/16/51/45/1202165145.db2.gz BTVZGZUCELLKMV-FYQPLNBISA-N 2 0 375.513 0.890 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000787633475 1205396149 /nfs/dbraw/zinc/39/61/49/1205396149.db2.gz BHJUUMNFEJEVSU-OKZBNKHCSA-N 2 0 392.475 0.524 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787668127 1205398265 /nfs/dbraw/zinc/39/82/65/1205398265.db2.gz DAQMWZUEPCHCAH-SJLPKXTDSA-N 2 0 380.533 0.594 20 0 GCADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688605 1205398940 /nfs/dbraw/zinc/39/89/40/1205398940.db2.gz KAWQQFXJSAHBPC-ZWKOTPCHSA-N 2 0 380.533 0.737 20 0 GCADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000787893989 1205405171 /nfs/dbraw/zinc/40/51/71/1205405171.db2.gz HJINEBFJJOGUQA-QZTJIDSGSA-N 2 0 380.533 0.594 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790363892 1205462565 /nfs/dbraw/zinc/46/25/65/1205462565.db2.gz WFINUGISXKZZLI-FQEVSTJZSA-N 2 0 393.532 0.347 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790363893 1205462714 /nfs/dbraw/zinc/46/27/14/1205462714.db2.gz WFINUGISXKZZLI-HXUWFJFHSA-N 2 0 393.532 0.347 20 0 GCADRP Cn1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ccc1=O ZINC001170391632 1205491336 /nfs/dbraw/zinc/49/13/36/1205491336.db2.gz CYNISAWBMLSMPY-PUMWCKSCSA-N 2 0 397.520 0.054 20 0 GCADRP COc1cnnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170388090 1205491373 /nfs/dbraw/zinc/49/13/73/1205491373.db2.gz JBDZFFGQYODOHW-LZDZAVHKSA-N 2 0 397.520 0.759 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(N)nc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170392317 1205491532 /nfs/dbraw/zinc/49/15/32/1205491532.db2.gz PDRUZHOPHRSUFP-YLVYSCNESA-N 2 0 382.509 0.332 20 0 GCADRP Cn1c(=O)cccc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392707 1205491580 /nfs/dbraw/zinc/49/15/80/1205491580.db2.gz QCLQISQCBPUQFH-QERJWTBHSA-N 2 0 396.532 0.659 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc(C[NH3+])n2)[C@H](O)OC(C)(C)C)C1 ZINC001170401041 1205491964 /nfs/dbraw/zinc/49/19/64/1205491964.db2.gz VHRCZOSFECXEIW-MUMMTRGTSA-N 3 0 395.548 0.814 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000793708613 1205502824 /nfs/dbraw/zinc/50/28/24/1205502824.db2.gz IZGFNAVTFVVUPT-MSOLQXFVSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000793715244 1205503088 /nfs/dbraw/zinc/50/30/88/1205503088.db2.gz XBLJWTJGQJDVRT-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000793727560 1205503764 /nfs/dbraw/zinc/50/37/64/1205503764.db2.gz UFQPSOPNZFXZRA-NEWSRXKRSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000793909442 1205509122 /nfs/dbraw/zinc/50/91/22/1205509122.db2.gz GYEBFNJRECSVFJ-IXDOHACOSA-N 2 0 380.533 0.593 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCCCOC)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129857887 1205521112 /nfs/dbraw/zinc/52/11/12/1205521112.db2.gz JKIVWOQNSUNMRO-MLHJIOFPSA-N 2 0 378.521 0.777 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)O1 ZINC001129912576 1205522858 /nfs/dbraw/zinc/52/28/58/1205522858.db2.gz PSHJOUFMZJYXKR-YIYPIFLZSA-N 2 0 390.410 0.291 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000804897158 1205527775 /nfs/dbraw/zinc/52/77/75/1205527775.db2.gz GGJQMIIOPKPKQW-SFHVURJKSA-N 2 0 376.501 0.544 20 0 GCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000806210526 1205551873 /nfs/dbraw/zinc/55/18/73/1205551873.db2.gz SLHUPVOBVFSGQP-BQFCYCMXSA-N 2 0 379.549 0.260 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806502853 1205557764 /nfs/dbraw/zinc/55/77/64/1205557764.db2.gz JDLJXKMMOPDZNO-QRQLOZEOSA-N 2 0 393.576 0.602 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170563559 1205613570 /nfs/dbraw/zinc/61/35/70/1205613570.db2.gz MGGLHNLVAQICMS-HLLBOEOZSA-N 2 0 394.516 0.976 20 0 GCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001086699929 1205659819 /nfs/dbraw/zinc/65/98/19/1205659819.db2.gz NLZJKWXHAWVJKW-YYIAUSFCSA-N 2 0 386.562 0.237 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172175524 1205713681 /nfs/dbraw/zinc/71/36/81/1205713681.db2.gz SUYVHRVONYCBCY-ZWKOTPCHSA-N 2 0 391.560 0.310 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172175521 1205713855 /nfs/dbraw/zinc/71/38/55/1205713855.db2.gz SUYVHRVONYCBCY-MSOLQXFVSA-N 2 0 391.560 0.310 20 0 GCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235274 1205714680 /nfs/dbraw/zinc/71/46/80/1205714680.db2.gz WSXLSWDPKNAJGG-YQQQUEKLSA-N 2 0 388.505 0.104 20 0 GCADRP COCCC[NH+]1CCC(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001172251330 1205715021 /nfs/dbraw/zinc/71/50/21/1205715021.db2.gz OZJBGUDWRWQRDR-UHFFFAOYSA-N 2 0 393.532 0.825 20 0 GCADRP COCCC[NH+]1CCC(n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)CC1 ZINC001172251213 1205715355 /nfs/dbraw/zinc/71/53/55/1205715355.db2.gz AFLMWYGBPJEIPH-UHFFFAOYSA-N 2 0 377.489 0.632 20 0 GCADRP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001172618607 1205716392 /nfs/dbraw/zinc/71/63/92/1205716392.db2.gz WRPCKZNQNDEEPW-MSOLQXFVSA-N 2 0 394.560 0.888 20 0 GCADRP COc1ccc(CN2CC[C@H]([NH+]3CCN(CC[NH3+])CC3)CC2=O)c(OC)c1 ZINC001173025515 1205718409 /nfs/dbraw/zinc/71/84/09/1205718409.db2.gz JGRRBCIRVYIDEU-KRWDZBQOSA-N 2 0 376.501 0.771 20 0 GCADRP CC[N@@H+]1CC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)c2cc(N(C)C)ncn2)C1 ZINC001173360412 1205720018 /nfs/dbraw/zinc/72/00/18/1205720018.db2.gz DBSAVXNUAXQRPX-INIZCTEOSA-N 2 0 384.532 0.986 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@@H]2C1 ZINC001173579034 1205724962 /nfs/dbraw/zinc/72/49/62/1205724962.db2.gz OFFSOJHAUCZFLG-HSFUPAIVSA-N 2 0 398.500 0.396 20 0 GCADRP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001173648660 1205726113 /nfs/dbraw/zinc/72/61/13/1205726113.db2.gz FEXNCPVLAXNHMO-ROUUACIJSA-N 2 0 390.521 0.723 20 0 GCADRP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001173648661 1205726265 /nfs/dbraw/zinc/72/62/65/1205726265.db2.gz FEXNCPVLAXNHMO-ZWKOTPCHSA-N 2 0 390.521 0.723 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCN(c2ncccn2)CC1 ZINC001176979896 1205759151 /nfs/dbraw/zinc/75/91/51/1205759151.db2.gz QGLZBJQZMCUVKN-UHFFFAOYSA-N 2 0 391.564 0.331 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O ZINC001178751369 1205793841 /nfs/dbraw/zinc/79/38/41/1205793841.db2.gz GOIMAVJAGJGDIR-KBPBESRZSA-N 2 0 385.509 0.668 20 0 GCADRP C[NH+]1CCC(C[NH2+]Cc2cnc(N3CCOCC3)s2)(N2CCOCC2)CC1 ZINC001178949133 1205797517 /nfs/dbraw/zinc/79/75/17/1205797517.db2.gz DRNOUJKZUDFYNE-UHFFFAOYSA-N 2 0 395.573 0.866 20 0 GCADRP C[NH+](C)C1CN(C(=O)[C@@H]2C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)C1 ZINC001179150414 1205803926 /nfs/dbraw/zinc/80/39/26/1205803926.db2.gz LHESTNLQTGWHFH-INIZCTEOSA-N 2 0 396.532 0.859 20 0 GCADRP CC(C)[NH+]1CCN(CC(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)CC1 ZINC001180345851 1205821898 /nfs/dbraw/zinc/82/18/98/1205821898.db2.gz XUFBOZLVZWRJTK-UHFFFAOYSA-N 2 0 399.499 0.670 20 0 GCADRP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180613933 1205827448 /nfs/dbraw/zinc/82/74/48/1205827448.db2.gz XYKBOEXKFYFEPJ-SFHVURJKSA-N 2 0 388.512 0.973 20 0 GCADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180613583 1205827558 /nfs/dbraw/zinc/82/75/58/1205827558.db2.gz RPIWUEXNIFKFPF-UHFFFAOYSA-N 2 0 380.533 0.770 20 0 GCADRP C[C@@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+])[NH+](C)C ZINC001180864971 1205834602 /nfs/dbraw/zinc/83/46/02/1205834602.db2.gz NNAQEGYZOBDUEW-DAQSZBFJSA-N 3 0 388.553 0.232 20 0 GCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CC24CCC[NH+]2CCC4)CC3)CC1 ZINC001181107511 1205838337 /nfs/dbraw/zinc/83/83/37/1205838337.db2.gz YYGGINUSXWCBGC-UHFFFAOYSA-N 2 0 386.544 0.991 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001181904682 1205851829 /nfs/dbraw/zinc/85/18/29/1205851829.db2.gz OMXHIPPGOLMSLZ-HWDXPAKYSA-N 2 0 399.532 0.651 20 0 GCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1(O)CC[NH+](C)CC1)CCC2 ZINC001182030487 1205853525 /nfs/dbraw/zinc/85/35/25/1205853525.db2.gz DKGQQPCWZURAAE-UHFFFAOYSA-N 2 0 391.516 0.273 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC(F)F)[C@H](O)OC(C)(C)C)C1 ZINC001182967287 1205884212 /nfs/dbraw/zinc/88/42/12/1205884212.db2.gz QQXSTULAENWFCT-GWIBLVFBSA-N 2 0 381.464 0.937 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1 ZINC001182988526 1205884457 /nfs/dbraw/zinc/88/44/57/1205884457.db2.gz UBKDPJXYTMZHQB-AWEZNQCLSA-N 2 0 383.518 0.558 20 0 GCADRP CC[C@H](CO)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001183174057 1205888304 /nfs/dbraw/zinc/88/83/04/1205888304.db2.gz OKVMJPBSJCTINZ-XNKCJZJASA-N 2 0 389.537 0.301 20 0 GCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[NH+](C)CCN1C)CCC2 ZINC001185253616 1205919134 /nfs/dbraw/zinc/91/91/34/1205919134.db2.gz XGGRIKMDTCVECK-QGZVFWFLSA-N 2 0 390.532 0.062 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001185254751 1205919924 /nfs/dbraw/zinc/91/99/24/1205919924.db2.gz GSTTXNJYLKPTBH-SFHVURJKSA-N 2 0 375.517 0.943 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000774853024 1205920977 /nfs/dbraw/zinc/92/09/77/1205920977.db2.gz GILADBXISDJWCS-RBSFLKMASA-N 2 0 380.514 0.446 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185589234 1205924833 /nfs/dbraw/zinc/92/48/33/1205924833.db2.gz RIIGEYIMEYKIQL-UHFFFAOYSA-N 2 0 395.533 0.761 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000774925721 1205928753 /nfs/dbraw/zinc/92/87/53/1205928753.db2.gz VPMHOBPXWPIVRX-CEXWTWQISA-N 2 0 388.512 0.255 20 0 GCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001186116184 1205935354 /nfs/dbraw/zinc/93/53/54/1205935354.db2.gz BCKAVARYTUHFHB-HNNXBMFYSA-N 2 0 375.469 0.967 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775045501 1205945342 /nfs/dbraw/zinc/94/53/42/1205945342.db2.gz UGEXVJSQWUPUIS-GBESFXJTSA-N 2 0 386.496 0.357 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001187742749 1205968391 /nfs/dbraw/zinc/96/83/91/1205968391.db2.gz VOJRBOZJXDPCFD-VERFIZQUSA-N 2 0 383.493 0.319 20 0 GCADRP CCn1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cc1C ZINC001190110786 1206027002 /nfs/dbraw/zinc/02/70/02/1206027002.db2.gz OJKYQSMCERNYTG-UHFFFAOYSA-N 2 0 390.532 0.522 20 0 GCADRP CCOC(=O)CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(=O)OCC ZINC001190463034 1206035953 /nfs/dbraw/zinc/03/59/53/1206035953.db2.gz VAVWSFDLRGIZEK-HNNXBMFYSA-N 2 0 388.509 0.396 20 0 GCADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164741541 720610794 /nfs/dbraw/zinc/61/07/94/720610794.db2.gz LLPXPWGTRADVRZ-QWHCGFSZSA-N 2 0 387.875 0.908 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)CC[C@@H]2C1 ZINC001164856076 720865752 /nfs/dbraw/zinc/86/57/52/720865752.db2.gz OJGDDOSSXODAMW-SJLPKXTDSA-N 2 0 390.532 0.578 20 0 GCADRP c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@@H+]3C2)c1 ZINC001164862832 721096525 /nfs/dbraw/zinc/09/65/25/721096525.db2.gz BBAZJHGPUGQPAP-OALUTQOASA-N 2 0 395.511 0.761 20 0 GCADRP CS(=O)(=O)c1nc2c(c(N3CC4(C3)CC[N@H+](CC3CC3)C4)n1)CC[NH2+]CC2 ZINC001164767152 721279006 /nfs/dbraw/zinc/27/90/06/721279006.db2.gz GYEZPQWBVDSVOU-UHFFFAOYSA-N 2 0 391.541 0.490 20 0 GCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001165009120 721733199 /nfs/dbraw/zinc/73/31/99/721733199.db2.gz UQGYBHUTSFDGNX-UHFFFAOYSA-N 2 0 387.532 0.409 20 0 GCADRP CC(=O)N1CC(=O)NC[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164968913 722079620 /nfs/dbraw/zinc/07/96/20/722079620.db2.gz FZJGUISEDOSYTF-HXUWFJFHSA-N 2 0 387.484 0.482 20 0 GCADRP O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001571260490 945416678 /nfs/dbraw/zinc/41/66/78/945416678.db2.gz UUFZIQHPZIYTNM-OKILXGFUSA-N 2 0 385.447 0.838 20 0 GCADRP CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001571263797 945467502 /nfs/dbraw/zinc/46/75/02/945467502.db2.gz BFKVUFRGNNLQDG-GVDBMIGSSA-N 2 0 385.472 0.134 20 0 GCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821599394 945737715 /nfs/dbraw/zinc/73/77/15/945737715.db2.gz RONVPUHSOFBFOO-UHFFFAOYSA-N 2 0 386.504 0.765 20 0 GCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821627019 945756661 /nfs/dbraw/zinc/75/66/61/945756661.db2.gz JMCMJMMRIGQOEC-QGZVFWFLSA-N 2 0 389.504 0.176 20 0 GCADRP CC(C)(C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573763813 948878102 /nfs/dbraw/zinc/87/81/02/948878102.db2.gz IKDJZAXKDDTRKM-CQSZACIVSA-N 2 0 384.488 0.961 20 0 GCADRP CC(C)(C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573780324 949088312 /nfs/dbraw/zinc/08/83/12/949088312.db2.gz WGOOGDDKQSHLPS-UHFFFAOYSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263828 949411715 /nfs/dbraw/zinc/41/17/15/949411715.db2.gz JZJBXQNYNVMVDY-OLZOCXBDSA-N 2 0 387.463 0.894 20 0 GCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575265564 949450587 /nfs/dbraw/zinc/45/05/87/949450587.db2.gz USWCLEBOXGDOGU-VXGBXAGGSA-N 2 0 375.502 0.816 20 0 GCADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574712167 949571307 /nfs/dbraw/zinc/57/13/07/949571307.db2.gz PTYWTJBYPSQJMQ-WFASDCNBSA-N 2 0 375.452 0.894 20 0 GCADRP CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573818217 949724394 /nfs/dbraw/zinc/72/43/94/949724394.db2.gz IJHGIQJRIITTNM-HNNXBMFYSA-N 2 0 384.488 0.722 20 0 GCADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283017 949856686 /nfs/dbraw/zinc/85/66/86/949856686.db2.gz MLYZVDCVTBXXGZ-QWHCGFSZSA-N 2 0 388.476 0.100 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576192539 950252258 /nfs/dbraw/zinc/25/22/58/950252258.db2.gz NKGIMUOAMBJLGO-CQSZACIVSA-N 2 0 386.504 0.922 20 0 GCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574159877 950321251 /nfs/dbraw/zinc/32/12/51/950321251.db2.gz YXTUJHCIJBXARW-CQSZACIVSA-N 2 0 384.488 0.722 20 0 GCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574159875 950323855 /nfs/dbraw/zinc/32/38/55/950323855.db2.gz YXTUJHCIJBXARW-AWEZNQCLSA-N 2 0 384.488 0.722 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576197268 950386802 /nfs/dbraw/zinc/38/68/02/950386802.db2.gz MLULHSPJZXVFOB-STQMWFEESA-N 2 0 375.502 0.961 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576197399 950392428 /nfs/dbraw/zinc/39/24/28/950392428.db2.gz MZUOBHHWPVHILT-CZUORRHYSA-N 2 0 384.488 0.674 20 0 GCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205401 950514064 /nfs/dbraw/zinc/51/40/64/950514064.db2.gz INIBTVZLCRHFGM-CHWSQXEVSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575918453 950594553 /nfs/dbraw/zinc/59/45/53/950594553.db2.gz BZIVXHKLRRUSKF-GDBMZVCRSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001576213529 950630788 /nfs/dbraw/zinc/63/07/88/950630788.db2.gz BVMDPCRRRUCIPS-CVGURMSBSA-N 2 0 387.513 0.816 20 0 GCADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576217075 950755461 /nfs/dbraw/zinc/75/54/61/950755461.db2.gz GTYCZFCSUSYAEE-BBRMVZONSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025920 951136491 /nfs/dbraw/zinc/13/64/91/951136491.db2.gz CSCCMCTZHFMUEX-CYBMUJFWSA-N 2 0 380.456 0.976 20 0 GCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077303 951666726 /nfs/dbraw/zinc/66/67/26/951666726.db2.gz FMVDELFTHANZQF-ZDUSSCGKSA-N 2 0 387.463 0.944 20 0 GCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091528 951779111 /nfs/dbraw/zinc/77/91/11/951779111.db2.gz UCZVOXBNQCOOME-ZDUSSCGKSA-N 2 0 375.452 0.944 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575091653 951781005 /nfs/dbraw/zinc/78/10/05/951781005.db2.gz TZOPZJJBLXDMNE-OCCSQVGLSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575098458 951823353 /nfs/dbraw/zinc/82/33/53/951823353.db2.gz DHMDQTHIQVDHFF-LBPRGKRZSA-N 2 0 375.502 0.961 20 0 GCADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571190091 952939706 /nfs/dbraw/zinc/93/97/06/952939706.db2.gz FEKGJQLNVHVDAK-AEFFLSMTSA-N 2 0 381.484 0.899 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nn[nH]n4)cc2)C3)C1 ZINC001571191658 952946980 /nfs/dbraw/zinc/94/69/80/952946980.db2.gz QAISUQVHYVAQKH-KRWDZBQOSA-N 2 0 381.484 0.853 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571250008 953308583 /nfs/dbraw/zinc/30/85/83/953308583.db2.gz NFHZUYBTGOORSP-ZQIUZPCESA-N 2 0 384.488 0.863 20 0 GCADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571250830 953313523 /nfs/dbraw/zinc/31/35/23/953313523.db2.gz TXIYQJWANWDKAJ-GASCZTMLSA-N 2 0 384.488 0.863 20 0 GCADRP CCN(CC)S(=O)(=O)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000530579214 530153342 /nfs/dbraw/zinc/15/33/42/530153342.db2.gz YUTVNZWWFFITAO-INIZCTEOSA-N 2 0 376.567 0.533 20 0 GCADRP CC[NH+](CC)CCN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000564994535 530270246 /nfs/dbraw/zinc/27/02/46/530270246.db2.gz CFIPAWBMUQIODT-JKSUJKDBSA-N 2 0 375.535 0.113 20 0 GCADRP CC[NH+](CC)CCN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000564994534 530270460 /nfs/dbraw/zinc/27/04/60/530270460.db2.gz CFIPAWBMUQIODT-HZPDHXFCSA-N 2 0 375.535 0.113 20 0 GCADRP COC(=O)c1ncsc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000272816516 530547346 /nfs/dbraw/zinc/54/73/46/530547346.db2.gz FBDANHKEYQTODZ-UHFFFAOYSA-N 2 0 392.547 0.824 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000330691147 530523616 /nfs/dbraw/zinc/52/36/16/530523616.db2.gz YWHAIFQWGZZGFS-INIZCTEOSA-N 2 0 376.567 0.690 20 0 GCADRP C[C@]([NH3+])(C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Br)cc1 ZINC000566497022 530531579 /nfs/dbraw/zinc/53/15/79/530531579.db2.gz WMSBYQAQGPSIQV-WOSRLPQWSA-N 2 0 381.274 0.393 20 0 GCADRP COC(=O)c1nscc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000444202075 530544065 /nfs/dbraw/zinc/54/40/65/530544065.db2.gz ZJFUDJPHNAXVHI-UHFFFAOYSA-N 2 0 390.531 0.576 20 0 GCADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000573121950 530575453 /nfs/dbraw/zinc/57/54/53/530575453.db2.gz SJEBWGNRNHVJGW-CABCVRRESA-N 2 0 377.576 0.439 20 0 GCADRP COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000327754626 530578190 /nfs/dbraw/zinc/57/81/90/530578190.db2.gz HBSXUDYKNNGZBF-HOTGVXAUSA-N 2 0 375.535 0.616 20 0 GCADRP CN1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C[NH3+])C1 ZINC000582903925 530856094 /nfs/dbraw/zinc/85/60/94/530856094.db2.gz RMVRGFRGOQDQGJ-STQMWFEESA-N 2 0 395.301 0.903 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419881103 530963948 /nfs/dbraw/zinc/96/39/48/530963948.db2.gz LCSGMXIOVJCCKZ-HNNXBMFYSA-N 2 0 397.317 0.817 20 0 GCADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000631950622 530952548 /nfs/dbraw/zinc/95/25/48/530952548.db2.gz MMNUKCZHLWZLHX-XEZPLFJOSA-N 2 0 375.441 0.318 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423180388 531017164 /nfs/dbraw/zinc/01/71/64/531017164.db2.gz NKNPWUZSDHMAGD-HNNXBMFYSA-N 2 0 397.317 0.899 20 0 GCADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000430562682 531113713 /nfs/dbraw/zinc/11/37/13/531113713.db2.gz SBYBDSIUZYSLRB-UHFFFAOYSA-N 2 0 376.567 0.484 20 0 GCADRP Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000737295984 598956116 /nfs/dbraw/zinc/95/61/16/598956116.db2.gz DJFZVONKDABRBA-UHFFFAOYSA-N 2 0 381.506 0.289 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736147281 598349007 /nfs/dbraw/zinc/34/90/07/598349007.db2.gz LZALRNYFUIJCBU-CQSZACIVSA-N 2 0 387.488 0.830 20 0 GCADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736769943 598522952 /nfs/dbraw/zinc/52/29/52/598522952.db2.gz XUZXIMFZRGRXBO-HNNXBMFYSA-N 2 0 397.487 0.835 20 0 GCADRP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000738450823 599452846 /nfs/dbraw/zinc/45/28/46/599452846.db2.gz XVWKSCGZPJFFHB-ZIAGYGMSSA-N 2 0 387.492 0.195 20 0 GCADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826073279 608020209 /nfs/dbraw/zinc/02/02/09/608020209.db2.gz MNUVCSGYLMDHMZ-GRYCIOLGSA-N 2 0 375.481 0.942 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825860262 609229631 /nfs/dbraw/zinc/22/96/31/609229631.db2.gz MVLUBBNGEKLODR-QGZVFWFLSA-N 2 0 389.504 0.632 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c[nH]nc1I ZINC000896681288 639060390 /nfs/dbraw/zinc/06/03/90/639060390.db2.gz KYXXJEYZFMMDJP-UHFFFAOYSA-N 2 0 379.246 0.580 20 0 GCADRP C[NH+](C)CCCNC(=S)N1CCCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000916546125 639827422 /nfs/dbraw/zinc/82/74/22/639827422.db2.gz LRKMUCPIVLDCQY-UHFFFAOYSA-N 2 0 388.651 0.647 20 0 GCADRP [NH3+]CC[C@@H]1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923490520 640139185 /nfs/dbraw/zinc/13/91/85/640139185.db2.gz VBYLBOISKUQVOV-CABCVRRESA-N 2 0 385.555 0.935 20 0 GCADRP COC1(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCOCC1 ZINC000867589812 641359931 /nfs/dbraw/zinc/35/99/31/641359931.db2.gz KFLIYDWZLDNUOK-HZPDHXFCSA-N 2 0 377.551 0.183 20 0 GCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000872510377 641475296 /nfs/dbraw/zinc/47/52/96/641475296.db2.gz RHLRTGRJCZWWJS-GJDIJTJZSA-N 2 0 382.596 0.799 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCSC1 ZINC000884612280 641786830 /nfs/dbraw/zinc/78/68/30/641786830.db2.gz IRRLCNKVXQEFBG-GYSYKLTISA-N 2 0 382.452 0.136 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCSC1 ZINC000884612282 641787208 /nfs/dbraw/zinc/78/72/08/641787208.db2.gz IRRLCNKVXQEFBG-SUNKGSAMSA-N 2 0 382.452 0.136 20 0 GCADRP CS(=O)(=O)[C@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000800467380 642082364 /nfs/dbraw/zinc/08/23/64/642082364.db2.gz XVKWJYKNNWLPBM-HOTGVXAUSA-N 2 0 380.576 0.785 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1nc[nH]c1Br ZINC000867123582 642231054 /nfs/dbraw/zinc/23/10/54/642231054.db2.gz BVLYCQZDYVHYMW-UHFFFAOYSA-N 2 0 394.339 0.819 20 0 GCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000842471578 642336931 /nfs/dbraw/zinc/33/69/31/642336931.db2.gz KECBDTCBGOKZOD-CALCHBBNSA-N 2 0 376.567 0.867 20 0 GCADRP CC[NH+](CC)CCN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000843488449 642373369 /nfs/dbraw/zinc/37/33/69/642373369.db2.gz ZWPPYHZRQHQECD-HZPDHXFCSA-N 2 0 375.535 0.113 20 0 GCADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017423 1192186110 /nfs/dbraw/zinc/18/61/10/1192186110.db2.gz JZFRREVSVRMBSC-UONOGXRCSA-N 2 0 382.459 0.770 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345338 1192197539 /nfs/dbraw/zinc/19/75/39/1192197539.db2.gz AIJXDRGWPSEEIH-CKEIUWERSA-N 2 0 396.513 0.491 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345339 1192197839 /nfs/dbraw/zinc/19/78/39/1192197839.db2.gz AIJXDRGWPSEEIH-CPUCHLNUSA-N 2 0 396.513 0.491 20 0 GCADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652347102 1192198001 /nfs/dbraw/zinc/19/80/01/1192198001.db2.gz RQTZVDGWJKUTQL-IIDMSEBBSA-N 2 0 383.514 0.931 20 0 GCADRP C[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652354154 1192202801 /nfs/dbraw/zinc/20/28/01/1192202801.db2.gz OGGJUDAFDCRRBQ-YJBOKZPZSA-N 2 0 396.557 0.832 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349666 1192200303 /nfs/dbraw/zinc/20/03/03/1192200303.db2.gz YNGCAYIUBNAZLT-KSZLIROESA-N 2 0 388.516 0.344 20 0 GCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349669 1192200372 /nfs/dbraw/zinc/20/03/72/1192200372.db2.gz YNGCAYIUBNAZLT-RCCFBDPRSA-N 2 0 388.516 0.344 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000978885352 1192237164 /nfs/dbraw/zinc/23/71/64/1192237164.db2.gz VVJGVQIKAZSMOD-GVLSGGHMSA-N 2 0 380.533 0.447 20 0 GCADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)cc1 ZINC000636702839 1192272278 /nfs/dbraw/zinc/27/22/78/1192272278.db2.gz ZUBPGDSTGAIDTN-MOPGFXCFSA-N 2 0 387.528 0.048 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)c3cnnn3C3CC[NH2+]CC3)ccn2)CC1 ZINC000662386455 1192287627 /nfs/dbraw/zinc/28/76/27/1192287627.db2.gz IUUUFPOGTVLFMW-UHFFFAOYSA-N 2 0 384.488 0.279 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001719831335 1192295377 /nfs/dbraw/zinc/29/53/77/1192295377.db2.gz KUIALGGLLRYLJI-ICUGJSFKSA-N 2 0 380.533 0.543 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662444841 1192296643 /nfs/dbraw/zinc/29/66/43/1192296643.db2.gz LLFKSMVYNQJZDC-UHFFFAOYSA-N 2 0 375.473 0.522 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662452342 1192298564 /nfs/dbraw/zinc/29/85/64/1192298564.db2.gz RMFYVZPKLQYMRH-UHFFFAOYSA-N 2 0 377.489 0.814 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662528106 1192311853 /nfs/dbraw/zinc/31/18/53/1192311853.db2.gz VEHGZWODCQNPRK-IRXDYDNUSA-N 2 0 389.548 0.833 20 0 GCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577116 1192313793 /nfs/dbraw/zinc/31/37/93/1192313793.db2.gz DHCVFVQLTMJKDM-IPMKNSEASA-N 2 0 383.496 0.968 20 0 GCADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000662684304 1192327897 /nfs/dbraw/zinc/32/78/97/1192327897.db2.gz ZSAICHFUQJPFPM-KRWDZBQOSA-N 2 0 376.505 0.777 20 0 GCADRP COCCn1nc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000563112395 1192342837 /nfs/dbraw/zinc/34/28/37/1192342837.db2.gz GTQVPLDYSXOAGV-UHFFFAOYSA-N 2 0 399.495 0.613 20 0 GCADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000663562304 1192390749 /nfs/dbraw/zinc/39/07/49/1192390749.db2.gz YULPGQPDXAYSCE-RTBURBONSA-N 2 0 381.565 0.811 20 0 GCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000652669193 1192395119 /nfs/dbraw/zinc/39/51/19/1192395119.db2.gz YNKVSLAPKOXKCU-IBGZPJMESA-N 2 0 388.512 0.375 20 0 GCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000652671538 1192413918 /nfs/dbraw/zinc/41/39/18/1192413918.db2.gz GPPCANOSTOWIKF-ROUUACIJSA-N 2 0 380.533 0.376 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652672267 1192417825 /nfs/dbraw/zinc/41/78/25/1192417825.db2.gz DDIOOSADMVFQIH-VSZNYVQBSA-N 2 0 380.533 0.579 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652672268 1192417910 /nfs/dbraw/zinc/41/79/10/1192417910.db2.gz DDIOOSADMVFQIH-XDNAFOTISA-N 2 0 380.533 0.579 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663613893 1192418586 /nfs/dbraw/zinc/41/85/86/1192418586.db2.gz WYAFFCFJEKXFMY-FQEVSTJZSA-N 2 0 389.500 0.644 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663613894 1192418668 /nfs/dbraw/zinc/41/86/68/1192418668.db2.gz WYAFFCFJEKXFMY-HXUWFJFHSA-N 2 0 389.500 0.644 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652675440 1192450641 /nfs/dbraw/zinc/45/06/41/1192450641.db2.gz XFBXXQBMLQXGFI-FJIDUMEYSA-N 2 0 380.533 0.722 20 0 GCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000433463788 1192486509 /nfs/dbraw/zinc/48/65/09/1192486509.db2.gz AMQWYBLDBJPWBP-SFHLNBCPSA-N 2 0 382.593 0.947 20 0 GCADRP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637375546 1192518618 /nfs/dbraw/zinc/51/86/18/1192518618.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 2 0 394.564 0.136 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[NH2+]1 ZINC000418605940 1192525179 /nfs/dbraw/zinc/52/51/79/1192525179.db2.gz QAOKASPRPNLIOI-NXHRZFHOSA-N 2 0 375.517 0.715 20 0 GCADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1 ZINC001167884373 1192572784 /nfs/dbraw/zinc/57/27/84/1192572784.db2.gz VNXJKVWSLPTSFZ-UHFFFAOYSA-N 2 0 384.441 0.097 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418613724 1192617299 /nfs/dbraw/zinc/61/72/99/1192617299.db2.gz JWTKGEDCZWYCSL-HUUCEWRRSA-N 2 0 395.470 0.215 20 0 GCADRP COC[C@]1(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000418633428 1192621597 /nfs/dbraw/zinc/62/15/97/1192621597.db2.gz IGJNBWAFDYQYHB-UYAOXDASSA-N 2 0 376.501 0.473 20 0 GCADRP COCC1(CNC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC[NH2+]CC1 ZINC000418642733 1192622857 /nfs/dbraw/zinc/62/28/57/1192622857.db2.gz SDLXUCIYGASIQY-UHFFFAOYSA-N 2 0 377.489 0.938 20 0 GCADRP COCC1(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000418638781 1192622974 /nfs/dbraw/zinc/62/29/74/1192622974.db2.gz LSWPWFVULMJKGB-NRFANRHFSA-N 2 0 390.528 0.939 20 0 GCADRP COC[C@]1(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646892 1192623757 /nfs/dbraw/zinc/62/37/57/1192623757.db2.gz XKPGNBJJHSBEPP-WOJBJXKFSA-N 2 0 376.501 0.691 20 0 GCADRP COC[C@]1(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000418652717 1192625433 /nfs/dbraw/zinc/62/54/33/1192625433.db2.gz JEQZWNSCJXCNID-NLWGTHIKSA-N 2 0 376.501 0.690 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418661651 1192625568 /nfs/dbraw/zinc/62/55/68/1192625568.db2.gz AUZHRKVNMXMNLZ-LESCRADOSA-N 2 0 395.548 0.120 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418752483 1192639751 /nfs/dbraw/zinc/63/97/51/1192639751.db2.gz BVVBSQOKNXBVLH-GUDVDZBRSA-N 2 0 375.517 0.072 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418754827 1192639775 /nfs/dbraw/zinc/63/97/75/1192639775.db2.gz FGQYRJSPQGKVJH-FHWLQOOXSA-N 2 0 376.501 0.547 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418754826 1192639895 /nfs/dbraw/zinc/63/98/95/1192639895.db2.gz FGQYRJSPQGKVJH-CEXWTWQISA-N 2 0 376.501 0.547 20 0 GCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418774634 1192642170 /nfs/dbraw/zinc/64/21/70/1192642170.db2.gz DGKOFKHAOLZPOJ-SFHVURJKSA-N 2 0 387.528 0.525 20 0 GCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418776750 1192643148 /nfs/dbraw/zinc/64/31/48/1192643148.db2.gz GRLPJACMZLXNSY-KRWDZBQOSA-N 2 0 375.517 0.416 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418781352 1192644533 /nfs/dbraw/zinc/64/45/33/1192644533.db2.gz LSWUZEXRRJFQKS-KRWDZBQOSA-N 2 0 375.517 0.511 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418795642 1192646968 /nfs/dbraw/zinc/64/69/68/1192646968.db2.gz CQPBISFXTLALEP-IBGZPJMESA-N 2 0 380.533 0.583 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805990 1192649906 /nfs/dbraw/zinc/64/99/06/1192649906.db2.gz OCDPULADLPWLNZ-SJORKVTESA-N 2 0 380.533 0.581 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418813519 1192653616 /nfs/dbraw/zinc/65/36/16/1192653616.db2.gz YJOWRPAMHMXLLO-IRXDYDNUSA-N 2 0 380.533 0.642 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC(C[NH3+])CC2)[NH+](C)C)cc1OC ZINC000418823261 1192655697 /nfs/dbraw/zinc/65/56/97/1192655697.db2.gz BWXAWRDXELNUPM-MRXNPFEDSA-N 2 0 392.500 0.620 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000418824915 1192656361 /nfs/dbraw/zinc/65/63/61/1192656361.db2.gz DOSPHJJEYKWVEH-RBUKOAKNSA-N 2 0 390.528 0.835 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)C1 ZINC000418834407 1192660739 /nfs/dbraw/zinc/66/07/39/1192660739.db2.gz OIYZEMPTWXGETP-CABCVRRESA-N 2 0 378.473 0.243 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[NH+](C)C)cc1OC ZINC000418833343 1192660838 /nfs/dbraw/zinc/66/08/38/1192660838.db2.gz NEZXRACCDNXCRD-QRWLVFNGSA-N 2 0 392.500 0.620 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[NH+](C)C)cc1OC ZINC000418837696 1192661956 /nfs/dbraw/zinc/66/19/56/1192661956.db2.gz UCFCEMOEOLZKBV-CVEARBPZSA-N 2 0 392.500 0.681 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCCC1 ZINC000418840536 1192663089 /nfs/dbraw/zinc/66/30/89/1192663089.db2.gz XXUQLBAVIDXJTC-IAGOWNOFSA-N 2 0 380.533 0.722 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000418848306 1192664952 /nfs/dbraw/zinc/66/49/52/1192664952.db2.gz LBQOVNINMAZVDJ-SFHVURJKSA-N 2 0 390.528 0.632 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418847532 1192666962 /nfs/dbraw/zinc/66/69/62/1192666962.db2.gz JMAHPFLDYVGLLG-RCCFBDPRSA-N 2 0 376.501 0.240 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCCC1 ZINC000418854471 1192669428 /nfs/dbraw/zinc/66/94/28/1192669428.db2.gz TXPMGBKCOMZQGJ-BPQIPLTHSA-N 2 0 386.496 0.769 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862294 1192671010 /nfs/dbraw/zinc/67/10/10/1192671010.db2.gz AMOXVJXUVSYBRM-HWMZRRJGSA-N 2 0 380.533 0.985 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418867940 1192673118 /nfs/dbraw/zinc/67/31/18/1192673118.db2.gz VHGQTHWYPGQMHC-IBGZPJMESA-N 2 0 387.528 0.036 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000418880950 1192678077 /nfs/dbraw/zinc/67/80/77/1192678077.db2.gz QDUCQWCOBVPDRZ-RTBURBONSA-N 2 0 388.512 0.503 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418882791 1192678416 /nfs/dbraw/zinc/67/84/16/1192678416.db2.gz UFEWYGBWJHFCLX-QGZVFWFLSA-N 2 0 376.501 0.503 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418884213 1192678505 /nfs/dbraw/zinc/67/85/05/1192678505.db2.gz WLNRWIQZAXVXFP-MSOLQXFVSA-N 2 0 376.501 0.503 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000418881917 1192678548 /nfs/dbraw/zinc/67/85/48/1192678548.db2.gz YDGPUQJMRXGJQS-IBGZPJMESA-N 2 0 386.496 0.984 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418878719 1192674595 /nfs/dbraw/zinc/67/45/95/1192674595.db2.gz MAODHKJUDBXURG-MOPGFXCFSA-N 2 0 390.528 0.701 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCCO1 ZINC000418879976 1192675310 /nfs/dbraw/zinc/67/53/10/1192675310.db2.gz OIFOVVQPXNKUPO-KRWDZBQOSA-N 2 0 380.533 0.596 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000418913430 1192689990 /nfs/dbraw/zinc/68/99/90/1192689990.db2.gz DYPLHVYSYZOFQJ-QRVBRYPASA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000418914450 1192687598 /nfs/dbraw/zinc/68/75/98/1192687598.db2.gz FNEYUYMHBCHYRU-CEXWTWQISA-N 2 0 388.512 0.413 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000418914070 1192690141 /nfs/dbraw/zinc/69/01/41/1192690141.db2.gz AWQLPUDJAYPIRO-UHFFFAOYSA-N 2 0 376.501 0.591 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000418928731 1192694039 /nfs/dbraw/zinc/69/40/39/1192694039.db2.gz VMHOPHVLSAYZTJ-SFHVURJKSA-N 2 0 376.501 0.447 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)ccn1 ZINC000418949073 1192699206 /nfs/dbraw/zinc/69/92/06/1192699206.db2.gz DHQHNWAHUFIRDK-UHFFFAOYSA-N 2 0 377.489 0.416 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000418957549 1192699700 /nfs/dbraw/zinc/69/97/00/1192699700.db2.gz VADMLTURRDHXQJ-ZBFHGGJFSA-N 2 0 377.489 0.082 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000512441840 1192700548 /nfs/dbraw/zinc/70/05/48/1192700548.db2.gz KOVLGKSYTYKEBV-MRXNPFEDSA-N 2 0 391.582 0.325 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000418958586 1192700669 /nfs/dbraw/zinc/70/06/69/1192700669.db2.gz XPNFEBOVSBBWRN-BZSNNMDCSA-N 2 0 380.533 0.504 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000418956510 1192701708 /nfs/dbraw/zinc/70/17/08/1192701708.db2.gz SIUKLRLAYMXRGL-BBWFWOEESA-N 2 0 389.500 0.224 20 0 GCADRP C[C@]1(CNC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000418958188 1192701804 /nfs/dbraw/zinc/70/18/04/1192701804.db2.gz FRKQXOPPDLVCNV-HXUWFJFHSA-N 2 0 388.512 0.639 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H]1C[NH3+] ZINC000418955562 1192701824 /nfs/dbraw/zinc/70/18/24/1192701824.db2.gz QPECPSYVRNIXLF-ZBFHGGJFSA-N 2 0 377.489 0.224 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000418959465 1192702410 /nfs/dbraw/zinc/70/24/10/1192702410.db2.gz ZYXKEBOZNFBGAV-IAGOWNOFSA-N 2 0 380.533 0.648 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000418959467 1192702503 /nfs/dbraw/zinc/70/25/03/1192702503.db2.gz ZYXKEBOZNFBGAV-SJORKVTESA-N 2 0 380.533 0.648 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418968805 1192705616 /nfs/dbraw/zinc/70/56/16/1192705616.db2.gz UUTQMZKVWPCZEG-SFHVURJKSA-N 2 0 388.512 0.893 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418964305 1192703653 /nfs/dbraw/zinc/70/36/53/1192703653.db2.gz NEGMMQBGTINJRI-SFHVURJKSA-N 2 0 388.512 0.845 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418964304 1192703924 /nfs/dbraw/zinc/70/39/24/1192703924.db2.gz NEGMMQBGTINJRI-GOSISDBHSA-N 2 0 388.512 0.845 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418968408 1192705048 /nfs/dbraw/zinc/70/50/48/1192705048.db2.gz UHBZWHBBJPMTEU-FUHWJXTLSA-N 2 0 388.512 0.973 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000418970561 1192707519 /nfs/dbraw/zinc/70/75/19/1192707519.db2.gz WSFBBTMQOXTIDG-FXECBMLZSA-N 2 0 388.512 0.856 20 0 GCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000418992118 1192711115 /nfs/dbraw/zinc/71/11/15/1192711115.db2.gz ZILLRZFJOLPMIB-QILLFSRXSA-N 2 0 376.476 0.927 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000418996790 1192711736 /nfs/dbraw/zinc/71/17/36/1192711736.db2.gz KOAUFIUMCOQRRR-RDJZCZTQSA-N 2 0 376.501 0.854 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000418995494 1192713430 /nfs/dbraw/zinc/71/34/30/1192713430.db2.gz JBDPJTZDCKQEQA-RTBURBONSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419026765 1192728716 /nfs/dbraw/zinc/72/87/16/1192728716.db2.gz NSCOFKDJQNKPDA-NEPXVJNWSA-N 2 0 394.560 0.968 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419030518 1192732739 /nfs/dbraw/zinc/73/27/39/1192732739.db2.gz HRWLWLXZGVWDNA-INIZCTEOSA-N 2 0 382.574 0.970 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419032560 1192733009 /nfs/dbraw/zinc/73/30/09/1192733009.db2.gz WAWMOEVTWLCLSA-YOEHRIQHSA-N 2 0 376.501 0.984 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419036741 1192735431 /nfs/dbraw/zinc/73/54/31/1192735431.db2.gz PZBMLLRQBSDHLP-UHFFFAOYSA-N 2 0 386.562 0.207 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000419037589 1192735710 /nfs/dbraw/zinc/73/57/10/1192735710.db2.gz ISEOBXFLURUZNI-KZNAEPCWSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCC[NH+]4C[C@@H]3C)CC2)CCO1 ZINC000410592315 1192736506 /nfs/dbraw/zinc/73/65/06/1192736506.db2.gz YJBGNCPPCICQFB-JZXOWHBKSA-N 2 0 378.517 0.393 20 0 GCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419039011 1192736643 /nfs/dbraw/zinc/73/66/43/1192736643.db2.gz GPLJDEGOULUJFI-GOSISDBHSA-N 2 0 388.512 0.734 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)[C@H](C)C1 ZINC000419044362 1192738381 /nfs/dbraw/zinc/73/83/81/1192738381.db2.gz TWPKGAIIFXAXQC-OWSLCNJRSA-N 2 0 382.549 0.825 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000419041113 1192739579 /nfs/dbraw/zinc/73/95/79/1192739579.db2.gz NFXYJAUJWAERQJ-XLAORIBOSA-N 2 0 382.549 0.873 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@H](C)C1 ZINC000419045054 1192742303 /nfs/dbraw/zinc/74/23/03/1192742303.db2.gz VNELYUUDEICUIJ-LFDJNIOPSA-N 2 0 394.560 0.825 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419050603 1192749543 /nfs/dbraw/zinc/74/95/43/1192749543.db2.gz ABKOAAMXICLCIT-GUDVDZBRSA-N 2 0 388.512 0.508 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419056200 1192752934 /nfs/dbraw/zinc/75/29/34/1192752934.db2.gz KVAXPTKIRZSJJC-GUDVDZBRSA-N 2 0 388.512 0.460 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419057203 1192753442 /nfs/dbraw/zinc/75/34/42/1192753442.db2.gz NLAIEHLGWBLVHZ-GUDVDZBRSA-N 2 0 388.512 0.493 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000419057545 1192754807 /nfs/dbraw/zinc/75/48/07/1192754807.db2.gz AMAPYTOBVZBBMM-GASCZTMLSA-N 2 0 388.512 0.910 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419059921 1192756485 /nfs/dbraw/zinc/75/64/85/1192756485.db2.gz SDIIEQAAYHSVGK-BHIYHBOVSA-N 2 0 388.512 0.460 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419062817 1192758605 /nfs/dbraw/zinc/75/86/05/1192758605.db2.gz HDXQPTWAWOHTMK-UXLLHSPISA-N 2 0 376.501 0.807 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000419064380 1192758675 /nfs/dbraw/zinc/75/86/75/1192758675.db2.gz CFIXWVZOFNJJND-IBGZPJMESA-N 2 0 388.512 0.591 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000419081726 1192777872 /nfs/dbraw/zinc/77/78/72/1192777872.db2.gz ORMMYZGVOMYHIR-ZWKOTPCHSA-N 2 0 392.500 0.380 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000500782205 1192781802 /nfs/dbraw/zinc/78/18/02/1192781802.db2.gz QFSYHZYEDJXIIH-UHFFFAOYSA-N 2 0 379.549 0.262 20 0 GCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000419097097 1192784188 /nfs/dbraw/zinc/78/41/88/1192784188.db2.gz ABZWZZXXGFCAPC-UHFFFAOYSA-N 2 0 388.512 0.688 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419102757 1192791827 /nfs/dbraw/zinc/79/18/27/1192791827.db2.gz JJHNUDGBLHPXKE-QGZVFWFLSA-N 2 0 376.501 0.183 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c1cccc(C(F)(F)F)c1 ZINC000419108675 1192790704 /nfs/dbraw/zinc/79/07/04/1192790704.db2.gz MANIPBBWSYHLNY-AWEZNQCLSA-N 2 0 390.406 0.204 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000419120608 1192794135 /nfs/dbraw/zinc/79/41/35/1192794135.db2.gz CNFBBDBXKIXZAM-ZWKOTPCHSA-N 2 0 375.517 0.191 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H]1C[NH3+] ZINC000419122963 1192795321 /nfs/dbraw/zinc/79/53/21/1192795321.db2.gz XLYLJXODQMSUGT-NVXWUHKLSA-N 2 0 388.516 0.035 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000419123910 1192796278 /nfs/dbraw/zinc/79/62/78/1192796278.db2.gz HJCLMVFSSBSJLE-KURKYZTESA-N 2 0 382.549 0.968 20 0 GCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419114356 1192799593 /nfs/dbraw/zinc/79/95/93/1192799593.db2.gz XCRJQRMOMTYSAD-SFHVURJKSA-N 2 0 388.512 0.688 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419135228 1192807604 /nfs/dbraw/zinc/80/76/04/1192807604.db2.gz MCMYLOSUMBKZEW-RYQLBKOJSA-N 2 0 388.512 0.996 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419137205 1192809356 /nfs/dbraw/zinc/80/93/56/1192809356.db2.gz QHDFNWADXBDSLL-GUDVDZBRSA-N 2 0 388.512 0.732 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000419148735 1192810224 /nfs/dbraw/zinc/81/02/24/1192810224.db2.gz KKUKAGHXFKXMPJ-MRXNPFEDSA-N 2 0 393.557 0.098 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000419154276 1192811759 /nfs/dbraw/zinc/81/17/59/1192811759.db2.gz RBGONPCHVJEBIB-LSDHHAIUSA-N 2 0 380.514 0.262 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000419156665 1192815887 /nfs/dbraw/zinc/81/58/87/1192815887.db2.gz JTGABDFLVYJQEX-WBVHZDCISA-N 2 0 388.516 0.035 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000419157353 1192816169 /nfs/dbraw/zinc/81/61/69/1192816169.db2.gz WLVMIBAMRQYJLG-OAHLLOKOSA-N 2 0 380.514 0.262 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419159538 1192817939 /nfs/dbraw/zinc/81/79/39/1192817939.db2.gz ZMKOORMENVCXAT-UHFFFAOYSA-N 2 0 388.512 0.845 20 0 GCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419166114 1192822765 /nfs/dbraw/zinc/82/27/65/1192822765.db2.gz OJSVJJJAJWLDLL-RBUKOAKNSA-N 2 0 388.512 0.510 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419156416 1192824080 /nfs/dbraw/zinc/82/40/80/1192824080.db2.gz VCCSPDYCNAMCGO-RCCFBDPRSA-N 2 0 388.512 0.829 20 0 GCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419156503 1192824511 /nfs/dbraw/zinc/82/45/11/1192824511.db2.gz VINJDPMFUXNSNZ-WBVHZDCISA-N 2 0 376.526 0.897 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419172293 1192826164 /nfs/dbraw/zinc/82/61/64/1192826164.db2.gz YWVNAYOBWTZETP-RBUKOAKNSA-N 2 0 390.528 0.883 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419177692 1192829137 /nfs/dbraw/zinc/82/91/37/1192829137.db2.gz FBQIEZVVHUHVKJ-RCCFBDPRSA-N 2 0 380.533 0.864 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169457 1192829440 /nfs/dbraw/zinc/82/94/40/1192829440.db2.gz UVNHVWKDQZZPEJ-SFHVURJKSA-N 2 0 388.512 0.604 20 0 GCADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419190084 1192830979 /nfs/dbraw/zinc/83/09/79/1192830979.db2.gz MOLCZVLTGFDIEP-IBGZPJMESA-N 2 0 388.512 0.721 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000419196437 1192832659 /nfs/dbraw/zinc/83/26/59/1192832659.db2.gz AZGMZMPQZKRIDW-HNNXBMFYSA-N 2 0 376.501 0.829 20 0 GCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000419198301 1192836639 /nfs/dbraw/zinc/83/66/39/1192836639.db2.gz YXTCPAOIYOALIM-IBGZPJMESA-N 2 0 388.512 0.570 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419197741 1192837658 /nfs/dbraw/zinc/83/76/58/1192837658.db2.gz CAMZGXQPCWDPPB-TXPKVOOTSA-N 2 0 388.512 0.862 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C[NH3+] ZINC000419199781 1192841401 /nfs/dbraw/zinc/84/14/01/1192841401.db2.gz CYIKZWVCHWHCNO-WBVHZDCISA-N 2 0 388.516 0.035 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419201701 1192842819 /nfs/dbraw/zinc/84/28/19/1192842819.db2.gz FZALWWJSHBSYOI-QAPCUYQASA-N 2 0 376.501 0.972 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419201772 1192842965 /nfs/dbraw/zinc/84/29/65/1192842965.db2.gz GJPVAZRBBWEBQF-FCEWJHQRSA-N 2 0 388.512 0.780 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000419201770 1192843177 /nfs/dbraw/zinc/84/31/77/1192843177.db2.gz GJKUNMSVVYBGCI-UHFFFAOYSA-N 2 0 388.512 0.845 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000419202969 1192843566 /nfs/dbraw/zinc/84/35/66/1192843566.db2.gz HERZSUFPIFHAGO-GOSISDBHSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419203049 1192845046 /nfs/dbraw/zinc/84/50/46/1192845046.db2.gz HJQULLYTUJYVMA-MRXNPFEDSA-N 2 0 376.501 0.457 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419204233 1192848072 /nfs/dbraw/zinc/84/80/72/1192848072.db2.gz IPUPYSSMDBJSEP-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000509724930 1192851736 /nfs/dbraw/zinc/85/17/36/1192851736.db2.gz QPDJSRYHVAOYEH-UHFFFAOYSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)C1 ZINC000419204785 1192857913 /nfs/dbraw/zinc/85/79/13/1192857913.db2.gz JEYJDGBMIGLSGY-LPHOPBHVSA-N 2 0 388.512 0.721 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419204776 1192858149 /nfs/dbraw/zinc/85/81/49/1192858149.db2.gz JDVDLUCXTKVTPF-VQIMIIECSA-N 2 0 388.512 0.721 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccn1 ZINC000893914316 1192876115 /nfs/dbraw/zinc/87/61/15/1192876115.db2.gz NJAMWYUPKLVMKR-ZWKOTPCHSA-N 2 0 391.516 0.763 20 0 GCADRP C[NH+]1CC[C@]2(CCN(c3nc(C(N)=O)cc(N4CC[C@@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC000893964771 1192884304 /nfs/dbraw/zinc/88/43/04/1192884304.db2.gz USPLXJJIEKTCHG-RTWAWAEBSA-N 2 0 399.543 0.640 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419211319 1192895835 /nfs/dbraw/zinc/89/58/35/1192895835.db2.gz XBAYYNUMQDCKOF-KRWDZBQOSA-N 2 0 388.516 0.050 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)CC2)CCO1 ZINC000410779710 1192901102 /nfs/dbraw/zinc/90/11/02/1192901102.db2.gz MDJPNSXXNDVWMC-AOIWGVFYSA-N 2 0 392.544 0.641 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419213493 1192901802 /nfs/dbraw/zinc/90/18/02/1192901802.db2.gz LJPIVFMTFPOEDK-HRCADAONSA-N 2 0 376.501 0.766 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419220692 1192920632 /nfs/dbraw/zinc/92/06/32/1192920632.db2.gz VIYDDWXGKDFLDV-GVDBMIGSSA-N 2 0 390.528 0.884 20 0 GCADRP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410972645 1192921636 /nfs/dbraw/zinc/92/16/36/1192921636.db2.gz HREYDHPJDGJVIO-IAGOWNOFSA-N 2 0 380.533 0.356 20 0 GCADRP C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000579715750 1184104178 /nfs/dbraw/zinc/10/41/78/1184104178.db2.gz DCRKLJXVCRSFQN-KRWDZBQOSA-N 2 0 390.528 0.309 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654727293 1184105356 /nfs/dbraw/zinc/10/53/56/1184105356.db2.gz JKYCODDMABSXNV-QZTJIDSGSA-N 2 0 377.533 0.953 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000642683224 1184186502 /nfs/dbraw/zinc/18/65/02/1184186502.db2.gz FZSHBMMYHSGOLT-KSSFIOAISA-N 2 0 392.475 0.481 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCc3sccc3C2)CCO1 ZINC000642693385 1184243957 /nfs/dbraw/zinc/24/39/57/1184243957.db2.gz WLROYNYUPQNKFK-KCQAQPDRSA-N 2 0 380.514 0.186 20 0 GCADRP CC(C)[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000109166236 1184331228 /nfs/dbraw/zinc/33/12/28/1184331228.db2.gz UNHYPDYNKLGBRR-RTBURBONSA-N 2 0 383.581 0.650 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109167563 1184331724 /nfs/dbraw/zinc/33/17/24/1184331724.db2.gz RRYNMPADZFETHZ-IBGZPJMESA-N 2 0 383.581 0.796 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109167565 1184332044 /nfs/dbraw/zinc/33/20/44/1184332044.db2.gz RRYNMPADZFETHZ-LJQANCHMSA-N 2 0 383.581 0.796 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC000579860980 1184382634 /nfs/dbraw/zinc/38/26/34/1184382634.db2.gz ZGHBPLYJKVJXPX-UHFFFAOYSA-N 2 0 388.434 0.986 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275312899 1184597729 /nfs/dbraw/zinc/59/77/29/1184597729.db2.gz OVOVWWUUGBPAQI-QZTJIDSGSA-N 2 0 391.516 0.689 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c1 ZINC000275383727 1184645040 /nfs/dbraw/zinc/64/50/40/1184645040.db2.gz FAZCCNPKVXPIRC-UHFFFAOYSA-N 2 0 391.516 0.717 20 0 GCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000275407569 1184656089 /nfs/dbraw/zinc/65/60/89/1184656089.db2.gz CLZXFJKKDLPIJO-OXJNMPFZSA-N 2 0 375.517 0.982 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000275407320 1184656106 /nfs/dbraw/zinc/65/61/06/1184656106.db2.gz JVIGZVWRPKVFNZ-UHFFFAOYSA-N 2 0 389.544 0.871 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458019110 1184724887 /nfs/dbraw/zinc/72/48/87/1184724887.db2.gz QWFCNODGSBWEGF-SFHVURJKSA-N 2 0 390.532 0.479 20 0 GCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000579933623 1184754878 /nfs/dbraw/zinc/75/48/78/1184754878.db2.gz LXOQQYNGVBGJSG-WBVHZDCISA-N 2 0 375.517 0.333 20 0 GCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000579933622 1184755363 /nfs/dbraw/zinc/75/53/63/1184755363.db2.gz LXOQQYNGVBGJSG-RDJZCZTQSA-N 2 0 375.517 0.333 20 0 GCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000627422021 1184767565 /nfs/dbraw/zinc/76/75/65/1184767565.db2.gz ZGHJGLPQBSQBLE-BLYZHGLHSA-N 2 0 378.439 0.961 20 0 GCADRP CC1(C)CCC[N@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000683561992 1184777346 /nfs/dbraw/zinc/77/73/46/1184777346.db2.gz GGYGANVTSADFKV-SFHVURJKSA-N 2 0 381.565 0.814 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@H+](C)C1 ZINC000413393532 1184815496 /nfs/dbraw/zinc/81/54/96/1184815496.db2.gz LDRRVPFICFYYJT-BPQIPLTHSA-N 2 0 396.532 0.501 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275637887 1184846528 /nfs/dbraw/zinc/84/65/28/1184846528.db2.gz MNZRMLQNYRYKOU-QZTJIDSGSA-N 2 0 389.500 0.442 20 0 GCADRP C[N@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)CC1(O)CCOCC1 ZINC000275640058 1184849638 /nfs/dbraw/zinc/84/96/38/1184849638.db2.gz WGRMDQRCCJNNDG-UHFFFAOYSA-N 2 0 377.485 0.931 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642744073 1184852364 /nfs/dbraw/zinc/85/23/64/1184852364.db2.gz XXTDXLNRDGQDNR-GGPKGHCWSA-N 2 0 399.539 0.524 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000579974054 1184867299 /nfs/dbraw/zinc/86/72/99/1184867299.db2.gz VGDQBHDOSLQQOZ-UHFFFAOYSA-N 2 0 381.908 0.385 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000642761474 1184925949 /nfs/dbraw/zinc/92/59/49/1184925949.db2.gz KYZOEEAQRVTYQF-QSJFSLAZSA-N 2 0 394.541 0.822 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000642761471 1184926445 /nfs/dbraw/zinc/92/64/45/1184926445.db2.gz KYZOEEAQRVTYQF-IVSAIRAKSA-N 2 0 394.541 0.822 20 0 GCADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000656029237 1184965466 /nfs/dbraw/zinc/96/54/66/1184965466.db2.gz XEPPJEKVWQZLOK-XWSJACJDSA-N 2 0 392.544 0.864 20 0 GCADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275735283 1184991682 /nfs/dbraw/zinc/99/16/82/1184991682.db2.gz UWTFLEUGVBFHQJ-UHFFFAOYSA-N 2 0 375.517 0.483 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000656072338 1185009019 /nfs/dbraw/zinc/00/90/19/1185009019.db2.gz LGTFZVLVCAROHR-UHFFFAOYSA-N 2 0 382.549 0.624 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000656072375 1185009458 /nfs/dbraw/zinc/00/94/58/1185009458.db2.gz MBWHHZIXAWDMFN-UHFFFAOYSA-N 2 0 394.560 0.890 20 0 GCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC[C@H]21 ZINC000580165402 1185098904 /nfs/dbraw/zinc/09/89/04/1185098904.db2.gz GCDPANVURNEEAL-RBUKOAKNSA-N 2 0 392.544 0.500 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580196340 1185114136 /nfs/dbraw/zinc/11/41/36/1185114136.db2.gz GJCQYIJWKBKPOO-LZLYRXPVSA-N 2 0 376.501 0.636 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000580324467 1185164182 /nfs/dbraw/zinc/16/41/82/1185164182.db2.gz UONFKQJCGJOFTL-HUUCEWRRSA-N 2 0 378.439 0.582 20 0 GCADRP COC(=O)C1CC2(C1)C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO2 ZINC000891263398 1185207716 /nfs/dbraw/zinc/20/77/16/1185207716.db2.gz LRIBFFLHYSDACZ-KOHRHEQBSA-N 2 0 384.521 0.622 20 0 GCADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000580435318 1185230227 /nfs/dbraw/zinc/23/02/27/1185230227.db2.gz UGSVVDMKBXTDHC-GOSISDBHSA-N 2 0 390.528 0.928 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580476932 1185245066 /nfs/dbraw/zinc/24/50/66/1185245066.db2.gz PEKSMRSXPPVXCH-QXAKKESOSA-N 2 0 392.544 0.614 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C[C@@H](C)O1 ZINC000580531742 1185262807 /nfs/dbraw/zinc/26/28/07/1185262807.db2.gz KFKQTMRBHWCJDW-HLIPFELVSA-N 2 0 389.544 0.999 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000580535661 1185265433 /nfs/dbraw/zinc/26/54/33/1185265433.db2.gz RXMUAIIDURDYNT-SFHVURJKSA-N 2 0 381.565 0.319 20 0 GCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580561824 1185276474 /nfs/dbraw/zinc/27/64/74/1185276474.db2.gz YVQQDIKYSDBZLH-RTBURBONSA-N 2 0 388.512 0.652 20 0 GCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000557261066 1185281176 /nfs/dbraw/zinc/28/11/76/1185281176.db2.gz JXKBXCQLGTTZPW-ROUUACIJSA-N 2 0 381.565 0.319 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000656255235 1185281785 /nfs/dbraw/zinc/28/17/85/1185281785.db2.gz HDUYOABXLLAWCZ-SFHVURJKSA-N 2 0 378.521 0.616 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000580668563 1185302175 /nfs/dbraw/zinc/30/21/75/1185302175.db2.gz ONMFNARUOVRWAK-SFHVURJKSA-N 2 0 381.565 0.463 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000580730801 1185316991 /nfs/dbraw/zinc/31/69/91/1185316991.db2.gz MSCCYBVRDVNRFK-IXDOHACOSA-N 2 0 383.537 0.372 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656312113 1185389699 /nfs/dbraw/zinc/38/96/99/1185389699.db2.gz SKQAUXPDZAYVBA-QZTJIDSGSA-N 2 0 392.544 0.881 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000580830967 1185390658 /nfs/dbraw/zinc/39/06/58/1185390658.db2.gz WMNHGTRPMIQIAQ-WBVHZDCISA-N 2 0 387.484 0.191 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656314637 1185396840 /nfs/dbraw/zinc/39/68/40/1185396840.db2.gz ADDRAEUOHGRXHH-BDXSIMOUSA-N 2 0 382.549 0.981 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656314638 1185397088 /nfs/dbraw/zinc/39/70/88/1185397088.db2.gz ADDRAEUOHGRXHH-FJIDUMEYSA-N 2 0 382.549 0.981 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000656315568 1185400068 /nfs/dbraw/zinc/40/00/68/1185400068.db2.gz LDVIDGSLBNGCRE-KRWDZBQOSA-N 2 0 393.576 0.604 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)N1CC[NH+](C)CC1 ZINC000580906406 1185411570 /nfs/dbraw/zinc/41/15/70/1185411570.db2.gz UDCRFEPYYYRDJR-SFHVURJKSA-N 2 0 381.565 0.364 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000656326371 1185421083 /nfs/dbraw/zinc/42/10/83/1185421083.db2.gz BHHQVRRARWKCDQ-ROUUACIJSA-N 2 0 394.560 0.813 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000656326373 1185421288 /nfs/dbraw/zinc/42/12/88/1185421288.db2.gz BHHQVRRARWKCDQ-ZWKOTPCHSA-N 2 0 394.560 0.813 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656330547 1185427377 /nfs/dbraw/zinc/42/73/77/1185427377.db2.gz PSQZORBZLYFYDF-YTQUADARSA-N 2 0 392.544 0.737 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354125 1185448772 /nfs/dbraw/zinc/44/87/72/1185448772.db2.gz FCWPMHWQZFYUCU-OKZBNKHCSA-N 2 0 380.533 0.689 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC000656353657 1185449593 /nfs/dbraw/zinc/44/95/93/1185449593.db2.gz BRVXSHFMYCBLGN-ZWKOTPCHSA-N 2 0 380.533 0.425 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)CC2)C1 ZINC000656356350 1185458299 /nfs/dbraw/zinc/45/82/99/1185458299.db2.gz SMRJSFOBGJDWFN-OTWHNJEPSA-N 2 0 391.560 0.358 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2)C1 ZINC000656356348 1185458853 /nfs/dbraw/zinc/45/88/53/1185458853.db2.gz SMRJSFOBGJDWFN-IPMKNSEASA-N 2 0 391.560 0.358 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656361023 1185464652 /nfs/dbraw/zinc/46/46/52/1185464652.db2.gz XMOQILZOXYLMKR-ROUUACIJSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000471637545 1185472479 /nfs/dbraw/zinc/47/24/79/1185472479.db2.gz XGHIPFOCDWQDGA-RTBURBONSA-N 2 0 378.517 0.747 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581063705 1185481408 /nfs/dbraw/zinc/48/14/08/1185481408.db2.gz NOSPJXDIOSKPAD-YOEHRIQHSA-N 2 0 380.533 0.591 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000581062897 1185482698 /nfs/dbraw/zinc/48/26/98/1185482698.db2.gz QXOSAPUMCROVNN-QGZVFWFLSA-N 2 0 381.565 0.223 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC[C@H]21 ZINC000581078037 1185488109 /nfs/dbraw/zinc/48/81/09/1185488109.db2.gz RIFQUKZIAUYOMF-NXWXRZEISA-N 2 0 392.544 0.423 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000581082094 1185490384 /nfs/dbraw/zinc/49/03/84/1185490384.db2.gz HFLWHXTUDYRFDN-SZMVWBNQSA-N 2 0 379.549 0.260 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000581086543 1185491253 /nfs/dbraw/zinc/49/12/53/1185491253.db2.gz GVXNECHEBOWJDC-QGZVFWFLSA-N 3 0 383.581 0.565 20 0 GCADRP CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152422 1185503775 /nfs/dbraw/zinc/50/37/75/1185503775.db2.gz BZEVKIGOFGWBSG-RXVVDRJESA-N 3 0 393.576 0.591 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000581211033 1185531663 /nfs/dbraw/zinc/53/16/63/1185531663.db2.gz DYKJHHZBUUVTHD-MSOLQXFVSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581299806 1185574437 /nfs/dbraw/zinc/57/44/37/1185574437.db2.gz HXCFXTHZPYTMSU-DLBZAZTESA-N 2 0 377.533 0.857 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCOCC[NH+](C)C ZINC000471643331 1185577167 /nfs/dbraw/zinc/57/71/67/1185577167.db2.gz HJOPRJUYTYGCIE-HXUWFJFHSA-N 2 0 378.517 0.843 20 0 GCADRP CC[NH2+]CC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000430556817 1185588655 /nfs/dbraw/zinc/58/86/55/1185588655.db2.gz LNJWRWWSDCAOTL-CQSZACIVSA-N 2 0 394.541 0.933 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000581324615 1185595947 /nfs/dbraw/zinc/59/59/47/1185595947.db2.gz LAZILCHBMOUBMF-RBUKOAKNSA-N 2 0 393.576 0.463 20 0 GCADRP CC(C)OCCN1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000558442528 1185613231 /nfs/dbraw/zinc/61/32/31/1185613231.db2.gz ZPGUASJQSWYFQF-UHFFFAOYSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000581361968 1185614134 /nfs/dbraw/zinc/61/41/34/1185614134.db2.gz FENGVYQYNAHPGZ-LJQANCHMSA-N 2 0 396.576 0.918 20 0 GCADRP CCCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346516 1185619106 /nfs/dbraw/zinc/61/91/06/1185619106.db2.gz FHOMALXGAZJKHT-BRSBDYLESA-N 2 0 392.548 0.981 20 0 GCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCc1cnn(C)c1 ZINC001104346930 1185619612 /nfs/dbraw/zinc/61/96/12/1185619612.db2.gz LKFLSQDJJFMTQQ-PSBWJHGTSA-N 2 0 377.533 0.756 20 0 GCADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430587093 1185648698 /nfs/dbraw/zinc/64/86/98/1185648698.db2.gz YEXYZOFZIXBGHH-UHFFFAOYSA-N 2 0 382.530 0.314 20 0 GCADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000430593050 1185656062 /nfs/dbraw/zinc/65/60/62/1185656062.db2.gz RWYHXQYHEQSSIQ-UHFFFAOYSA-N 2 0 378.473 0.394 20 0 GCADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891393982 1185681245 /nfs/dbraw/zinc/68/12/45/1185681245.db2.gz FHFYFEDREZTFOL-OAGGEKHMSA-N 2 0 379.505 0.826 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430609149 1185755077 /nfs/dbraw/zinc/75/50/77/1185755077.db2.gz GYNFSPGSTNUTDH-CQSZACIVSA-N 2 0 382.892 0.622 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000581564386 1185762458 /nfs/dbraw/zinc/76/24/58/1185762458.db2.gz MDJAOYDUVRUWKN-GOSISDBHSA-N 2 0 394.560 0.794 20 0 GCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000581565628 1185763927 /nfs/dbraw/zinc/76/39/27/1185763927.db2.gz YJRHHLVWHDQARZ-UHFFFAOYSA-N 2 0 380.533 0.548 20 0 GCADRP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430615592 1185778674 /nfs/dbraw/zinc/77/86/74/1185778674.db2.gz CJFBUDBVODXETK-QGZVFWFLSA-N 2 0 394.541 0.581 20 0 GCADRP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430617972 1185785613 /nfs/dbraw/zinc/78/56/13/1185785613.db2.gz QIGSOVPGYKBCHY-LJQANCHMSA-N 2 0 388.512 0.593 20 0 GCADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619901 1185793350 /nfs/dbraw/zinc/79/33/50/1185793350.db2.gz BLXWEOQUYSAVFY-UKRRQHHQSA-N 2 0 375.473 0.160 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCc1c(F)cccc1F ZINC000430620519 1185796568 /nfs/dbraw/zinc/79/65/68/1185796568.db2.gz IEDUGJUKOSEZSI-HNNXBMFYSA-N 2 0 394.466 0.767 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000430620685 1185796896 /nfs/dbraw/zinc/79/68/96/1185796896.db2.gz COLSEDINKHJCEU-MSOLQXFVSA-N 2 0 386.496 0.250 20 0 GCADRP O=C([C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621735 1185797562 /nfs/dbraw/zinc/79/75/62/1185797562.db2.gz DCWKYAUARBKTMO-MRXNPFEDSA-N 2 0 380.514 0.109 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430625847 1185810457 /nfs/dbraw/zinc/81/04/57/1185810457.db2.gz KPBWQCCVENOMLG-SFHVURJKSA-N 2 0 398.511 0.318 20 0 GCADRP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430629555 1185817386 /nfs/dbraw/zinc/81/73/86/1185817386.db2.gz OPWVBZKOGXJPNT-KRWDZBQOSA-N 2 0 376.476 0.928 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430629459 1185818151 /nfs/dbraw/zinc/81/81/51/1185818151.db2.gz QBRDBDMOENXRST-AWEZNQCLSA-N 2 0 389.525 0.742 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000625797835 1185836348 /nfs/dbraw/zinc/83/63/48/1185836348.db2.gz IHURPEAQBAZZFV-RBUKOAKNSA-N 2 0 398.511 0.845 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430639893 1185842332 /nfs/dbraw/zinc/84/23/32/1185842332.db2.gz GPRAPAJPQXYANQ-KRWDZBQOSA-N 2 0 384.484 0.275 20 0 GCADRP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430638645 1185843124 /nfs/dbraw/zinc/84/31/24/1185843124.db2.gz CVUHIQTVXKVYSB-INIZCTEOSA-N 2 0 383.514 0.757 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430639392 1185843738 /nfs/dbraw/zinc/84/37/38/1185843738.db2.gz HYVYSYOETMGCDK-QGZVFWFLSA-N 3 0 379.549 0.119 20 0 GCADRP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430641756 1185847364 /nfs/dbraw/zinc/84/73/64/1185847364.db2.gz UCVYFGVIQDFTJK-UHFFFAOYSA-N 2 0 381.864 0.131 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000581689490 1185848516 /nfs/dbraw/zinc/84/85/16/1185848516.db2.gz SXGSPKRIILPBGQ-RTBURBONSA-N 2 0 394.560 0.861 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000581689487 1185848622 /nfs/dbraw/zinc/84/86/22/1185848622.db2.gz SXGSPKRIILPBGQ-MOPGFXCFSA-N 2 0 394.560 0.861 20 0 GCADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000430641413 1185850044 /nfs/dbraw/zinc/85/00/44/1185850044.db2.gz STTZMSSXSVSGRP-GFCCVEGCSA-N 2 0 395.891 0.554 20 0 GCADRP CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430643449 1185855913 /nfs/dbraw/zinc/85/59/13/1185855913.db2.gz RDQGHUXGYHFWEO-UHFFFAOYSA-N 2 0 380.514 0.203 20 0 GCADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430647349 1185862439 /nfs/dbraw/zinc/86/24/39/1185862439.db2.gz XTAFOHADDSJLSJ-KRWDZBQOSA-N 2 0 375.517 0.416 20 0 GCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCCC[NH+]1CCN(c3ncccn3)CC1)C2 ZINC000891512364 1185901036 /nfs/dbraw/zinc/90/10/36/1185901036.db2.gz LZAGMOCTJKVPFZ-FXAWDEMLSA-N 2 0 387.532 0.630 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891536521 1185910176 /nfs/dbraw/zinc/91/01/76/1185910176.db2.gz SRLQOBVYDWDUTI-IBGZPJMESA-N 2 0 387.528 0.943 20 0 GCADRP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430664906 1185918369 /nfs/dbraw/zinc/91/83/69/1185918369.db2.gz LYTCNRQUVWCDTB-SFHVURJKSA-N 2 0 388.512 0.634 20 0 GCADRP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565020 1185920148 /nfs/dbraw/zinc/92/01/48/1185920148.db2.gz OIUVEEPOIKXMLS-IBGZPJMESA-N 2 0 387.528 0.538 20 0 GCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891566289 1185920887 /nfs/dbraw/zinc/92/08/87/1185920887.db2.gz TZOXBXXSFGOBNU-VQTJNVASSA-N 2 0 387.528 0.407 20 0 GCADRP [NH3+][C@H](CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000891567867 1185923333 /nfs/dbraw/zinc/92/33/33/1185923333.db2.gz XKGLNZFTMWIUON-WOJBJXKFSA-N 2 0 389.544 0.652 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCCCC1 ZINC000581877526 1185926594 /nfs/dbraw/zinc/92/65/94/1185926594.db2.gz HJROETWASMAEPR-UHFFFAOYSA-N 2 0 390.532 1.469 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000785073399 1185948543 /nfs/dbraw/zinc/94/85/43/1185948543.db2.gz KUGQBVYKYNUQPT-UHFFFAOYSA-N 2 0 391.516 0.461 20 0 GCADRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cc1C(N)=O ZINC000548371013 1186013179 /nfs/dbraw/zinc/01/31/79/1186013179.db2.gz CVYGVRCTJTWZQG-UHFFFAOYSA-N 2 0 398.529 0.441 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581971192 1186016716 /nfs/dbraw/zinc/01/67/16/1186016716.db2.gz LYRYUIXQZGHKIR-HKUYNNGSSA-N 2 0 392.544 0.690 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000430752877 1186025863 /nfs/dbraw/zinc/02/58/63/1186025863.db2.gz FORQHVABEFQLKE-FQEVSTJZSA-N 2 0 385.512 0.764 20 0 GCADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430968839 1186074697 /nfs/dbraw/zinc/07/46/97/1186074697.db2.gz ZJCPRFIFBSJBCO-AWEZNQCLSA-N 2 0 382.530 0.313 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCO1 ZINC000891854055 1186093855 /nfs/dbraw/zinc/09/38/55/1186093855.db2.gz ADKZPGOLDJCAPZ-NXOAAHMSSA-N 2 0 395.504 0.064 20 0 GCADRP COCC[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000431028161 1186107099 /nfs/dbraw/zinc/10/70/99/1186107099.db2.gz NJMYIGNTQWJZJJ-FQEVSTJZSA-N 3 0 375.517 0.726 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000933847428 1186109389 /nfs/dbraw/zinc/10/93/89/1186109389.db2.gz GRIBRIHZLLJUAC-ZWKOTPCHSA-N 2 0 393.576 0.319 20 0 GCADRP CSC1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH+](C)CC1 ZINC000891909027 1186153464 /nfs/dbraw/zinc/15/34/64/1186153464.db2.gz ZCDBPEZRKUKJDX-ZNMIVQPWSA-N 2 0 397.545 0.390 20 0 GCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000582001017 1186178909 /nfs/dbraw/zinc/17/89/09/1186178909.db2.gz RBYQZPSMGMRQLU-LJQANCHMSA-N 2 0 388.512 0.518 20 0 GCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000410478155 1186192097 /nfs/dbraw/zinc/19/20/97/1186192097.db2.gz YHWKNBRABXCGGO-HKUYNNGSSA-N 2 0 387.528 0.915 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458239236 1186218717 /nfs/dbraw/zinc/21/87/17/1186218717.db2.gz ZBBPPBOJPJJHCD-DLBZAZTESA-N 2 0 383.537 0.075 20 0 GCADRP Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](C)N1CCOCC1 ZINC001707912773 1186268776 /nfs/dbraw/zinc/26/87/76/1186268776.db2.gz FYFGMDNHWBESGM-SJORKVTESA-N 2 0 392.548 0.997 20 0 GCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000892007920 1186306173 /nfs/dbraw/zinc/30/61/73/1186306173.db2.gz COEVSJYGEVUDMF-MOPGFXCFSA-N 2 0 381.565 0.990 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000892106994 1186344932 /nfs/dbraw/zinc/34/49/32/1186344932.db2.gz GBQRMNJZVUTZBD-GDBMZVCRSA-N 2 0 377.455 0.998 20 0 GCADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C2 ZINC000892109017 1186346354 /nfs/dbraw/zinc/34/63/54/1186346354.db2.gz YEQMWTWZONYOFW-GFCCVEGCSA-N 2 0 392.451 0.506 20 0 GCADRP COCCC1(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000892108469 1186347368 /nfs/dbraw/zinc/34/73/68/1186347368.db2.gz SZCMRQDOEFCRGQ-ZDUSSCGKSA-N 2 0 381.443 0.280 20 0 GCADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)nn(C)c3N3CCOCC3)C2)CC1 ZINC000119618221 1186379336 /nfs/dbraw/zinc/37/93/36/1186379336.db2.gz BZNOUHYYPYWPMM-SFHVURJKSA-N 2 0 376.549 0.777 20 0 GCADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000892156987 1186380827 /nfs/dbraw/zinc/38/08/27/1186380827.db2.gz UGXPMUFRRVYQIE-CABCVRRESA-N 2 0 375.464 0.079 20 0 GCADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](C[NH3+])C1 ZINC000582052989 1186384279 /nfs/dbraw/zinc/38/42/79/1186384279.db2.gz ZATTZLGCMLBGMQ-ZOBUZTSGSA-N 2 0 393.557 0.349 20 0 GCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000642897315 1186416812 /nfs/dbraw/zinc/41/68/12/1186416812.db2.gz URELSTLPVAKRQP-UHFFFAOYSA-N 2 0 387.528 0.051 20 0 GCADRP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000892212413 1186445569 /nfs/dbraw/zinc/44/55/69/1186445569.db2.gz VVLDCQSSKHIKFQ-IBGZPJMESA-N 2 0 375.517 0.741 20 0 GCADRP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000892212415 1186446822 /nfs/dbraw/zinc/44/68/22/1186446822.db2.gz VVLDCQSSKHIKFQ-LJQANCHMSA-N 2 0 375.517 0.741 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000582289093 1186487521 /nfs/dbraw/zinc/48/75/21/1186487521.db2.gz YQLNISPEDUXAIT-UHFFFAOYSA-N 2 0 375.517 0.613 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000582315902 1186492719 /nfs/dbraw/zinc/49/27/19/1186492719.db2.gz NNHITOURUSDOLL-RBUKOAKNSA-N 3 0 391.560 0.404 20 0 GCADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000582441097 1186532031 /nfs/dbraw/zinc/53/20/31/1186532031.db2.gz NYIGZUOADUBZJT-MRXNPFEDSA-N 2 0 391.516 0.418 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000125123530 1186538048 /nfs/dbraw/zinc/53/80/48/1186538048.db2.gz OLNMFHRCMMPKPX-CQSZACIVSA-N 2 0 378.502 0.864 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000892265864 1186557126 /nfs/dbraw/zinc/55/71/26/1186557126.db2.gz UXYZSQHDGCMAAK-INIZCTEOSA-N 2 0 383.537 0.121 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563421659 1186591396 /nfs/dbraw/zinc/59/13/96/1186591396.db2.gz OXTORGXJFVFRCS-KRWDZBQOSA-N 2 0 390.484 0.676 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431468240 1186597383 /nfs/dbraw/zinc/59/73/83/1186597383.db2.gz CJPFUTWANDFYBE-SFHVURJKSA-N 2 0 396.580 0.304 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582670426 1186604905 /nfs/dbraw/zinc/60/49/05/1186604905.db2.gz YBQGOQGOQIANEH-YLJYHZDGSA-N 2 0 389.519 0.842 20 0 GCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000892283116 1186615352 /nfs/dbraw/zinc/61/53/52/1186615352.db2.gz GDKPHEXFWFMZSU-OAHLLOKOSA-N 2 0 385.472 0.516 20 0 GCADRP C[NH+](C)[C@H]1CCCN(c2cc(C(N)=O)nc(N3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000892288564 1186626192 /nfs/dbraw/zinc/62/61/92/1186626192.db2.gz RJUMRRXPIHKCJD-GJZGRUSLSA-N 2 0 375.521 0.636 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000075007854 1186628226 /nfs/dbraw/zinc/62/82/26/1186628226.db2.gz UVPIUONRILZYOV-IRXDYDNUSA-N 2 0 382.549 0.922 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)NCC3(O)CC[NH+](C)CC3)ccn2)CC1 ZINC000077771971 1186654034 /nfs/dbraw/zinc/65/40/34/1186654034.db2.gz ULRMQPNXICVIMR-UHFFFAOYSA-N 2 0 376.505 0.089 20 0 GCADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000582900191 1186726041 /nfs/dbraw/zinc/72/60/41/1186726041.db2.gz GYMXYPIWKDHHBH-SVFBPWRDSA-N 2 0 391.560 0.653 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000582975952 1186740276 /nfs/dbraw/zinc/74/02/76/1186740276.db2.gz MLLNWPHTPQZDIK-CVEARBPZSA-N 2 0 382.892 0.635 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000079167797 1186746484 /nfs/dbraw/zinc/74/64/84/1186746484.db2.gz WEGNOMKQHKSPEP-UHFFFAOYSA-N 2 0 382.597 0.729 20 0 GCADRP C[NH+](C)[C@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H]1O ZINC000583032335 1186753587 /nfs/dbraw/zinc/75/35/87/1186753587.db2.gz LJZDOKZFKGYREJ-ROUUACIJSA-N 2 0 378.542 0.781 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000583090183 1186768312 /nfs/dbraw/zinc/76/83/12/1186768312.db2.gz FQGBZXGDZCQYRW-UHFFFAOYSA-N 2 0 376.501 0.831 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC[N@H+](C)CC1 ZINC000583149360 1186781633 /nfs/dbraw/zinc/78/16/33/1186781633.db2.gz MYVPRCKXIQAVAT-INIZCTEOSA-N 2 0 378.517 0.514 20 0 GCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C2)CC1 ZINC000583257555 1186809637 /nfs/dbraw/zinc/80/96/37/1186809637.db2.gz YHLQVFDOTSWTEC-ZWKOTPCHSA-N 2 0 379.549 0.058 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000583340551 1186831162 /nfs/dbraw/zinc/83/11/62/1186831162.db2.gz QNMWOOYQSWAPQS-LZLYRXPVSA-N 2 0 378.517 0.156 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)C[C@H](C)O1 ZINC000583558917 1186886106 /nfs/dbraw/zinc/88/61/06/1186886106.db2.gz VYGYQWBUYPBFTQ-NBMJBFSESA-N 2 0 392.544 0.545 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000472293055 1186889195 /nfs/dbraw/zinc/88/91/95/1186889195.db2.gz NBTDXPZPJCLQDF-GOSISDBHSA-N 2 0 380.533 0.500 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000583705396 1186923728 /nfs/dbraw/zinc/92/37/28/1186923728.db2.gz YILUDBFFXOJOEI-UHFFFAOYSA-N 2 0 389.544 0.508 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCO1 ZINC000458710750 1186955711 /nfs/dbraw/zinc/95/57/11/1186955711.db2.gz FGJVCMKNCDMFIM-SFHVURJKSA-N 2 0 397.564 0.779 20 0 GCADRP C[NH+]1CCC(C[NH2+]C[C@H](O)COCc2ccccc2)(N2CCOCC2)CC1 ZINC000583930220 1186962368 /nfs/dbraw/zinc/96/23/68/1186962368.db2.gz UUHAQXVDUSFMJQ-FQEVSTJZSA-N 2 0 377.529 0.950 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)C2)CC1 ZINC000584008559 1186978261 /nfs/dbraw/zinc/97/82/61/1186978261.db2.gz WYCZSJZDRXDRPJ-MOPGFXCFSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000584277681 1187024349 /nfs/dbraw/zinc/02/43/49/1187024349.db2.gz BSIIMFFJFSSJHP-AKHDSKFASA-N 2 0 391.560 0.166 20 0 GCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000584292155 1187026571 /nfs/dbraw/zinc/02/65/71/1187026571.db2.gz VWBUEKHWOOLZTQ-UXHICEINSA-N 3 0 379.593 0.983 20 0 GCADRP CN1C(=O)C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000584386778 1187047237 /nfs/dbraw/zinc/04/72/37/1187047237.db2.gz PJIGNOUSXOUITM-LJHODMEESA-N 2 0 382.455 0.435 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685304083 1187061358 /nfs/dbraw/zinc/06/13/58/1187061358.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 2 0 391.560 0.212 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685306301 1187062782 /nfs/dbraw/zinc/06/27/82/1187062782.db2.gz AUNIYSMRYYUITI-XYJFISCASA-N 2 0 378.517 0.156 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000685310516 1187069827 /nfs/dbraw/zinc/06/98/27/1187069827.db2.gz YXWVDLCPVLEBOB-CRAIPNDOSA-N 2 0 380.533 0.545 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1nc2ccccn2c1=O ZINC000600982782 1187074304 /nfs/dbraw/zinc/07/43/04/1187074304.db2.gz GFDGSLURMVTJIV-QGZVFWFLSA-N 2 0 388.516 0.761 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C1CC[NH+](C)CC1 ZINC000672013162 1187111768 /nfs/dbraw/zinc/11/17/68/1187111768.db2.gz YYUZMWAQZNARQX-JKSUJKDBSA-N 2 0 382.549 0.384 20 0 GCADRP [NH3+][C@@H](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000892408444 1187175410 /nfs/dbraw/zinc/17/54/10/1187175410.db2.gz QUCQEHRVYKRQOA-MOPGFXCFSA-N 2 0 387.528 0.800 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023969057 1187201284 /nfs/dbraw/zinc/20/12/84/1187201284.db2.gz FFIBMQSCSVZLIM-QBPKDAKJSA-N 2 0 380.533 0.279 20 0 GCADRP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000658147886 1187249396 /nfs/dbraw/zinc/24/93/96/1187249396.db2.gz IDSSEJBQAIHHEA-UHFFFAOYSA-N 2 0 392.544 0.644 20 0 GCADRP COCc1nccc(N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)n1 ZINC000892439021 1187318368 /nfs/dbraw/zinc/31/83/68/1187318368.db2.gz AHTANXTYAQWRHT-UHFFFAOYSA-N 2 0 376.505 0.298 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000658535269 1187336668 /nfs/dbraw/zinc/33/66/68/1187336668.db2.gz HUHLSZKIGAJEFG-GOSISDBHSA-N 2 0 376.501 0.618 20 0 GCADRP CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)[NH+]1CCCCC1 ZINC001024376423 1187366022 /nfs/dbraw/zinc/36/60/22/1187366022.db2.gz JHDWJROAHYPSBA-MUIFIZLQSA-N 2 0 389.500 0.466 20 0 GCADRP Cc1nc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736203 1187387194 /nfs/dbraw/zinc/38/71/94/1187387194.db2.gz SMURRSXLJGHMLO-OAHLLOKOSA-N 2 0 385.472 0.261 20 0 GCADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)COC2CC[NH+](C)CC2)c1 ZINC000935406930 1187427749 /nfs/dbraw/zinc/42/77/49/1187427749.db2.gz NPDJVWSADNNRHK-UHFFFAOYSA-N 2 0 398.529 0.576 20 0 GCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892477465 1187428397 /nfs/dbraw/zinc/42/83/97/1187428397.db2.gz CGXJAZBZDXZOFK-MSOLQXFVSA-N 2 0 381.565 0.860 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000431640746 1187439615 /nfs/dbraw/zinc/43/96/15/1187439615.db2.gz RQBBTFGPJHXIAD-UHFFFAOYSA-N 2 0 390.532 0.841 20 0 GCADRP Cc1ccc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000685759422 1187446757 /nfs/dbraw/zinc/44/67/57/1187446757.db2.gz KRZWTSQMEUEDDD-UHFFFAOYSA-N 2 0 384.546 0.534 20 0 GCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1 ZINC000892486144 1187461768 /nfs/dbraw/zinc/46/17/68/1187461768.db2.gz LVMZVARFRPCGMA-IMJJTQAJSA-N 2 0 379.505 0.731 20 0 GCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000612330911 1187463013 /nfs/dbraw/zinc/46/30/13/1187463013.db2.gz BDAGYFGFDWGQLC-UHFFFAOYSA-N 2 0 381.565 0.766 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000612486895 1187506444 /nfs/dbraw/zinc/50/64/44/1187506444.db2.gz OPHLJRYIJCGPDL-SFHVURJKSA-N 2 0 394.560 0.794 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548656 1187520954 /nfs/dbraw/zinc/52/09/54/1187520954.db2.gz PLBHYDAWUCYMMH-FHWLQOOXSA-N 2 0 393.576 0.604 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000612544538 1187521788 /nfs/dbraw/zinc/52/17/88/1187521788.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 2 0 379.549 0.214 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000413822563 1187529764 /nfs/dbraw/zinc/52/97/64/1187529764.db2.gz UHTFSQUDFQIMGL-RCCFBDPRSA-N 2 0 380.533 0.282 20 0 GCADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870429 1187608964 /nfs/dbraw/zinc/60/89/64/1187608964.db2.gz CVFRSHPEKGDKMN-CVEARBPZSA-N 2 0 375.521 0.803 20 0 GCADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911693 1187618120 /nfs/dbraw/zinc/61/81/20/1187618120.db2.gz PLSAPUKCDBPKSH-HOTGVXAUSA-N 2 0 375.521 0.850 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[C@@H](C)O1 ZINC000431778803 1187706138 /nfs/dbraw/zinc/70/61/38/1187706138.db2.gz NMOZKICVERHVMC-QZTJIDSGSA-N 2 0 397.564 0.777 20 0 GCADRP O=C(C[C@H](O)CC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332812507 1187782269 /nfs/dbraw/zinc/78/22/69/1187782269.db2.gz VBVYNAYJAKQVFW-DQCOHUIHSA-N 2 0 392.544 0.614 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892651391 1187882126 /nfs/dbraw/zinc/88/21/26/1187882126.db2.gz YCHHLRCTUDKONL-KSZLIROESA-N 2 0 395.548 0.170 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)n1 ZINC000659110810 1187886736 /nfs/dbraw/zinc/88/67/36/1187886736.db2.gz VBLRWNYMSIZHBI-UHFFFAOYSA-N 2 0 398.467 0.534 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000659122348 1187896910 /nfs/dbraw/zinc/89/69/10/1187896910.db2.gz AAGXUZXLJHSQJE-LJQANCHMSA-N 2 0 394.560 0.936 20 0 GCADRP CCN1CCN(C(=O)CC2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CC1 ZINC000376519809 1187907701 /nfs/dbraw/zinc/90/77/01/1187907701.db2.gz SQRXAJWORXMHLH-LJQANCHMSA-N 2 0 397.560 0.809 20 0 GCADRP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659246424 1187919456 /nfs/dbraw/zinc/91/94/56/1187919456.db2.gz KBHJKMLDESLWTP-CYBMUJFWSA-N 2 0 375.452 0.619 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000659318523 1187943164 /nfs/dbraw/zinc/94/31/64/1187943164.db2.gz KCGIZSBTCWDBHK-SFHVURJKSA-N 2 0 394.491 0.757 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344783 1187946364 /nfs/dbraw/zinc/94/63/64/1187946364.db2.gz KQXDZUBIZRMBLL-MOPGFXCFSA-N 2 0 391.560 0.310 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([NH2+]C(C)C)C3)CC2)c1 ZINC000659344483 1187946643 /nfs/dbraw/zinc/94/66/43/1187946643.db2.gz WUOPAZZSYLGCAA-INIZCTEOSA-N 2 0 389.500 0.728 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000659437657 1187958390 /nfs/dbraw/zinc/95/83/90/1187958390.db2.gz GOLGZWZJHKNIHC-UHFFFAOYSA-N 2 0 380.518 0.802 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659455812 1187960998 /nfs/dbraw/zinc/96/09/98/1187960998.db2.gz DOSKKIHKYNSGNT-UXHICEINSA-N 2 0 393.576 0.814 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659608149 1187976071 /nfs/dbraw/zinc/97/60/71/1187976071.db2.gz LFEKZOJJGPCNGY-WMZOPIPTSA-N 2 0 393.532 0.093 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000659678637 1187992704 /nfs/dbraw/zinc/99/27/04/1187992704.db2.gz MINLMGSPMXOIML-UHFFFAOYSA-N 2 0 378.477 0.030 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccco1 ZINC000659678715 1187992852 /nfs/dbraw/zinc/99/28/52/1187992852.db2.gz OQAAZQTYVWTHBC-ZDUSSCGKSA-N 2 0 390.444 0.049 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659680883 1187993068 /nfs/dbraw/zinc/99/30/68/1187993068.db2.gz UAFVDXJDSMHPPF-QGZVFWFLSA-N 2 0 380.533 0.452 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659680440 1187993077 /nfs/dbraw/zinc/99/30/77/1187993077.db2.gz NGFUOKNMYWUNOA-OALUTQOASA-N 2 0 394.560 0.698 20 0 GCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659687204 1187997400 /nfs/dbraw/zinc/99/74/00/1187997400.db2.gz GPHPJQMCCHGVBV-UHFFFAOYSA-N 2 0 392.504 0.131 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659718239 1188007460 /nfs/dbraw/zinc/00/74/60/1188007460.db2.gz MUPZXBPWIHEFRL-SFHVURJKSA-N 2 0 375.517 0.899 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659730789 1188016745 /nfs/dbraw/zinc/01/67/45/1188016745.db2.gz VFPZSRLUYABDRF-OAQYLSRUSA-N 2 0 385.512 0.622 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659739520 1188017913 /nfs/dbraw/zinc/01/79/13/1188017913.db2.gz WQEMTJQWHLPCOV-IEBWSBKVSA-N 2 0 392.544 0.594 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000659739749 1188019313 /nfs/dbraw/zinc/01/93/13/1188019313.db2.gz ZNDJWBMKXFQTTH-QZTJIDSGSA-N 2 0 378.517 0.347 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000659739748 1188019741 /nfs/dbraw/zinc/01/97/41/1188019741.db2.gz ZNDJWBMKXFQTTH-MSOLQXFVSA-N 2 0 378.517 0.347 20 0 GCADRP COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000376695746 1188021510 /nfs/dbraw/zinc/02/15/10/1188021510.db2.gz UQCKXKPMYWMJLT-QGZVFWFLSA-N 2 0 381.521 0.045 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000415316006 1188032070 /nfs/dbraw/zinc/03/20/70/1188032070.db2.gz ITYUQZKIXJMZCI-KRWDZBQOSA-N 2 0 389.500 0.517 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000415340418 1188049165 /nfs/dbraw/zinc/04/91/65/1188049165.db2.gz MJVBTLRHWMKRFE-CQSZACIVSA-N 2 0 375.473 0.726 20 0 GCADRP O=C(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC000909322704 1188054509 /nfs/dbraw/zinc/05/45/09/1188054509.db2.gz JUEPYCUUBJLKDQ-NRFANRHFSA-N 2 0 388.512 0.342 20 0 GCADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000415337695 1188054645 /nfs/dbraw/zinc/05/46/45/1188054645.db2.gz YAYNJWISSLXCQY-QGZVFWFLSA-N 2 0 387.484 0.918 20 0 GCADRP Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1C[NH+](C)C ZINC000415366698 1188063923 /nfs/dbraw/zinc/06/39/23/1188063923.db2.gz FRXHOWNLYLUBJZ-MRXNPFEDSA-N 2 0 389.500 0.309 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000415380021 1188068556 /nfs/dbraw/zinc/06/85/56/1188068556.db2.gz SCJQDGMFSKLLNP-MRXNPFEDSA-N 2 0 375.473 0.726 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000415390941 1188069061 /nfs/dbraw/zinc/06/90/61/1188069061.db2.gz VKMAZEUQEGMMBP-MRXNPFEDSA-N 2 0 387.528 0.958 20 0 GCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000415392335 1188070703 /nfs/dbraw/zinc/07/07/03/1188070703.db2.gz NKJPCUQDFGXSTR-QGZVFWFLSA-N 2 0 386.500 1.323 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000415410071 1188073323 /nfs/dbraw/zinc/07/33/23/1188073323.db2.gz DYZFQMNADSOJNR-OAHLLOKOSA-N 2 0 391.516 0.747 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC[NH2+]1 ZINC000415426911 1188077534 /nfs/dbraw/zinc/07/75/34/1188077534.db2.gz FEJOGTPVKRLETM-INIZCTEOSA-N 2 0 385.512 0.977 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415513090 1188097513 /nfs/dbraw/zinc/09/75/13/1188097513.db2.gz WNEKLDIFRTWXOQ-CQSZACIVSA-N 2 0 377.489 0.487 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415545180 1188102561 /nfs/dbraw/zinc/10/25/61/1188102561.db2.gz JCIONKXBDIDNQG-UHFFFAOYSA-N 2 0 391.516 0.508 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC000415556529 1188106679 /nfs/dbraw/zinc/10/66/79/1188106679.db2.gz CTVYNULDBIKSGG-IRXDYDNUSA-N 2 0 387.528 0.971 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3(C)CC[NH2+]CC3)c2)CC1 ZINC000415564717 1188109234 /nfs/dbraw/zinc/10/92/34/1188109234.db2.gz CLAPUTIPQCMEOO-UHFFFAOYSA-N 2 0 387.528 0.878 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000415586984 1188114275 /nfs/dbraw/zinc/11/42/75/1188114275.db2.gz DJQTUOITUIXCLE-JOCHJYFZSA-N 2 0 399.539 0.975 20 0 GCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893052974 1188121734 /nfs/dbraw/zinc/12/17/34/1188121734.db2.gz IZQFVIRWOUCBBH-RBUKOAKNSA-N 2 0 381.565 0.766 20 0 GCADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415670678 1188137525 /nfs/dbraw/zinc/13/75/25/1188137525.db2.gz IIHRJJSFPFUIKU-CALCHBBNSA-N 2 0 388.537 0.894 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000415704233 1188144547 /nfs/dbraw/zinc/14/45/47/1188144547.db2.gz GMAGAIRUFAVHQP-QGZVFWFLSA-N 2 0 389.500 0.072 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000415715775 1188147796 /nfs/dbraw/zinc/14/77/96/1188147796.db2.gz WCKVUGBUBJZJNZ-KRWDZBQOSA-N 2 0 389.500 0.072 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000415721528 1188151970 /nfs/dbraw/zinc/15/19/70/1188151970.db2.gz GMHDVILENFTROX-KRWDZBQOSA-N 2 0 389.500 0.072 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000415751264 1188155510 /nfs/dbraw/zinc/15/55/10/1188155510.db2.gz VVTJYVONTNWTLQ-UONOGXRCSA-N 2 0 378.448 0.773 20 0 GCADRP CN(C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000415743068 1188155632 /nfs/dbraw/zinc/15/56/32/1188155632.db2.gz MJXVCVKHUXPTHO-MRXNPFEDSA-N 2 0 382.468 0.699 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000415778184 1188163022 /nfs/dbraw/zinc/16/30/22/1188163022.db2.gz JGAAUPVHAFMHBO-HKUYNNGSSA-N 2 0 385.512 0.583 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000415837333 1189376140 /nfs/dbraw/zinc/37/61/40/1189376140.db2.gz CMIMELPHXNPLEV-SJLPKXTDSA-N 2 0 387.528 0.816 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000415845947 1189379083 /nfs/dbraw/zinc/37/90/83/1189379083.db2.gz KIUZIWXCIGOONP-CABCVRRESA-N 2 0 389.500 0.936 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1Cl ZINC000415868141 1189389129 /nfs/dbraw/zinc/38/91/29/1189389129.db2.gz XZHAMWLVALELIC-AWEZNQCLSA-N 2 0 398.891 0.795 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415872995 1189393998 /nfs/dbraw/zinc/39/39/98/1189393998.db2.gz UCXDJAOJPIKUQV-MSOLQXFVSA-N 2 0 385.512 0.440 20 0 GCADRP CN(CC[NH3+])C(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000415883138 1189395982 /nfs/dbraw/zinc/39/59/82/1189395982.db2.gz ZQURFPSAKIJXLU-UHFFFAOYSA-N 2 0 375.473 0.857 20 0 GCADRP C[C@@H]1CC(=O)C[C@@H](C(=O)NCC2([NH+](C)C)CC2)[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416309245 1189487299 /nfs/dbraw/zinc/48/72/99/1189487299.db2.gz VBPSHVWSCOSPDI-OIISXLGYSA-N 2 0 392.544 0.639 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H](CN4CCOCC4)C3)n2)CC1 ZINC000330214669 1189550659 /nfs/dbraw/zinc/55/06/59/1189550659.db2.gz LVYGAWIUHDZLGT-INIZCTEOSA-N 2 0 376.505 1.336 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000511577743 1189575448 /nfs/dbraw/zinc/57/54/48/1189575448.db2.gz SBTRNYDONYDNLX-SJLPKXTDSA-N 2 0 376.501 0.318 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(F)c1 ZINC000416850452 1189588690 /nfs/dbraw/zinc/58/86/90/1189588690.db2.gz ZOFQRDRYFMGDCF-WBVHZDCISA-N 2 0 379.480 0.925 20 0 GCADRP CC1CC[NH+](CCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000416870958 1189590839 /nfs/dbraw/zinc/59/08/39/1189590839.db2.gz JIWMFXQBDCZBNY-SFHVURJKSA-N 2 0 379.549 0.962 20 0 GCADRP COC[C@]1(CNC(=O)NCCCN2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000416950380 1189599824 /nfs/dbraw/zinc/59/98/24/1189599824.db2.gz MGKYRDKVIULWHP-LJQANCHMSA-N 2 0 391.520 0.057 20 0 GCADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000416947565 1189599858 /nfs/dbraw/zinc/59/98/58/1189599858.db2.gz GXPWOHTVJNRQGS-RBUKOAKNSA-N 2 0 381.565 0.813 20 0 GCADRP O=C(NCCCN1CCN(c2ncccn2)CC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000416951051 1189600057 /nfs/dbraw/zinc/60/00/57/1189600057.db2.gz MWDWBPZEKZYUAQ-ZWKOTPCHSA-N 2 0 387.532 0.676 20 0 GCADRP CCC(CC)[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000416947564 1189600203 /nfs/dbraw/zinc/60/02/03/1189600203.db2.gz GXPWOHTVJNRQGS-OALUTQOASA-N 2 0 381.565 0.813 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000416988280 1189604542 /nfs/dbraw/zinc/60/45/42/1189604542.db2.gz LBURIFGTYBJQPJ-HXUWFJFHSA-N 2 0 388.560 0.527 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCO[C@H](C[NH3+])C3)CC2)c1 ZINC000417045838 1189612090 /nfs/dbraw/zinc/61/20/90/1189612090.db2.gz AJHANTBLZROMRI-LJQANCHMSA-N 2 0 375.517 0.876 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000417047003 1189612116 /nfs/dbraw/zinc/61/21/16/1189612116.db2.gz BUOQCLHMMJYGNR-LJQANCHMSA-N 2 0 375.517 0.795 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000417158774 1189626120 /nfs/dbraw/zinc/62/61/20/1189626120.db2.gz OCAPUIMTHIBYEX-HNNXBMFYSA-N 2 0 377.455 0.996 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417159728 1189626127 /nfs/dbraw/zinc/62/61/27/1189626127.db2.gz XLKFDBAZXCZASP-HXUWFJFHSA-N 2 0 388.560 0.792 20 0 GCADRP COCC1(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000417273487 1189637124 /nfs/dbraw/zinc/63/71/24/1189637124.db2.gz SUEPBCDTJXOHPN-SFHVURJKSA-N 2 0 386.562 0.510 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CCSCC1)Cc1ccccc1 ZINC000584727481 1189639556 /nfs/dbraw/zinc/63/95/56/1189639556.db2.gz DVTHYXAYTNOTLT-KRWDZBQOSA-N 2 0 378.542 0.441 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000584736702 1189643840 /nfs/dbraw/zinc/64/38/40/1189643840.db2.gz CGWRKKAAUVTUHH-RTBURBONSA-N 2 0 388.512 0.462 20 0 GCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612918049 1189653123 /nfs/dbraw/zinc/65/31/23/1189653123.db2.gz JOSBERYPSZQWHZ-JYJNAYRXSA-N 2 0 375.521 0.836 20 0 GCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN(C4CCOCC4)CC3)C2)CC1 ZINC000660207920 1189659595 /nfs/dbraw/zinc/65/95/95/1189659595.db2.gz IAGJPNRMGKYQPR-GOSISDBHSA-N 2 0 392.544 0.500 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000417459051 1189668339 /nfs/dbraw/zinc/66/83/39/1189668339.db2.gz LMZLQAKIQHWTIB-LJQANCHMSA-N 2 0 394.516 0.903 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584793046 1189669329 /nfs/dbraw/zinc/66/93/29/1189669329.db2.gz GMMKLCCADFEAMQ-WBVHZDCISA-N 2 0 375.473 0.080 20 0 GCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417526096 1189678380 /nfs/dbraw/zinc/67/83/80/1189678380.db2.gz UOZCKNWMPUGDHQ-QGZVFWFLSA-N 2 0 395.548 0.661 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000660260616 1189695491 /nfs/dbraw/zinc/69/54/91/1189695491.db2.gz AGTBDYHUYGCIDI-SQNIBIBYSA-N 2 0 380.533 0.641 20 0 GCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000417778632 1189704491 /nfs/dbraw/zinc/70/44/91/1189704491.db2.gz FZHTVAYJUNWNBK-IBGZPJMESA-N 2 0 388.493 0.793 20 0 GCADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000418058930 1189716871 /nfs/dbraw/zinc/71/68/71/1189716871.db2.gz RORMRGOBLWMJAQ-GOSISDBHSA-N 2 0 375.517 0.787 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCO1 ZINC000418119216 1189725632 /nfs/dbraw/zinc/72/56/32/1189725632.db2.gz UOPDWRVDUAYLMC-ZWKOTPCHSA-N 2 0 395.548 0.341 20 0 GCADRP CSC1(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC[NH+](C)CC1 ZINC000418196226 1189736414 /nfs/dbraw/zinc/73/64/14/1189736414.db2.gz HFCXEEYNLNUJJJ-OAHLLOKOSA-N 2 0 385.578 0.843 20 0 GCADRP CSC1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH+](C)CC1 ZINC000418203946 1189736849 /nfs/dbraw/zinc/73/68/49/1189736849.db2.gz WVAXGBHIVHWTFA-CYBMUJFWSA-N 2 0 397.511 0.949 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285152 1189748097 /nfs/dbraw/zinc/74/80/97/1189748097.db2.gz DYAXIAFOIKUPEX-OALUTQOASA-N 2 0 380.581 0.482 20 0 GCADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000651501510 1189754994 /nfs/dbraw/zinc/75/49/94/1189754994.db2.gz VUPMFJCTVPNUHK-MRXNPFEDSA-N 2 0 394.541 0.852 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418333274 1189760664 /nfs/dbraw/zinc/76/06/64/1189760664.db2.gz DYEISHILBQWRNU-MSOLQXFVSA-N 2 0 375.517 0.574 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693623 1189775744 /nfs/dbraw/zinc/77/57/44/1189775744.db2.gz YTUWTNGVGCPFFP-MLHJIOFPSA-N 2 0 394.560 0.968 20 0 GCADRP CC1(C)CN(c2nccc(N3CC[N@H+](CCO)C(C)(C)C3)n2)CC[NH+]1CCO ZINC000893368194 1189807680 /nfs/dbraw/zinc/80/76/80/1189807680.db2.gz IDNUMVRRXUCOLR-UHFFFAOYSA-N 2 0 392.548 0.262 20 0 GCADRP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000660535831 1189893981 /nfs/dbraw/zinc/89/39/81/1189893981.db2.gz LFGLFROGVHYQAG-GUDVDZBRSA-N 2 0 391.560 0.168 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652125544 1189902318 /nfs/dbraw/zinc/90/23/18/1189902318.db2.gz XUANIMWEWOGYKI-YQVWRLOYSA-N 2 0 381.565 0.940 20 0 GCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000432187195 1189912051 /nfs/dbraw/zinc/91/20/51/1189912051.db2.gz OQXVMZHDMSQZLO-GOSISDBHSA-N 2 0 380.533 0.546 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000668942847 1189920763 /nfs/dbraw/zinc/92/07/63/1189920763.db2.gz OSCUYLBFPNKRRF-IAGOWNOFSA-N 2 0 382.549 0.839 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660852697 1189957665 /nfs/dbraw/zinc/95/76/65/1189957665.db2.gz FVALSLIGIHJREH-ROUUACIJSA-N 2 0 395.548 0.482 20 0 GCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660861447 1189958163 /nfs/dbraw/zinc/95/81/63/1189958163.db2.gz DWMTWNHLYXWNMO-HXUWFJFHSA-N 2 0 393.576 0.814 20 0 GCADRP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000661311496 1190028560 /nfs/dbraw/zinc/02/85/60/1190028560.db2.gz KMBADPWMPGUFLC-KRWDZBQOSA-N 2 0 381.565 0.955 20 0 GCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000661403664 1190043107 /nfs/dbraw/zinc/04/31/07/1190043107.db2.gz YNPCGXPWVWUJHU-BZSNNMDCSA-N 2 0 378.517 0.110 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H]1C[NH3+] ZINC000419222876 1193721204 /nfs/dbraw/zinc/72/12/04/1193721204.db2.gz XPVPFJBOMUDWFY-QAPCUYQASA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000419224623 1193721414 /nfs/dbraw/zinc/72/14/14/1193721414.db2.gz ZSZLWDCPSWCRNH-ZRGWGRIASA-N 2 0 388.512 0.766 20 0 GCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419224360 1193723747 /nfs/dbraw/zinc/72/37/47/1193723747.db2.gz ZHSQHAPSTBEFJV-SFHVURJKSA-N 2 0 376.501 0.638 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419228680 1193734717 /nfs/dbraw/zinc/73/47/17/1193734717.db2.gz MRMXPRGGLMUJEV-NEWSRXKRSA-N 2 0 388.512 0.589 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000419230886 1193741451 /nfs/dbraw/zinc/74/14/51/1193741451.db2.gz JDERBZPQIPFVIG-KRWDZBQOSA-N 2 0 395.548 0.213 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000419238200 1193752952 /nfs/dbraw/zinc/75/29/52/1193752952.db2.gz CXRDYCOGBSDZAX-IAGOWNOFSA-N 2 0 390.528 0.611 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000433125455 1193760679 /nfs/dbraw/zinc/76/06/79/1193760679.db2.gz KIJVPOSBDPCXLS-UHFFFAOYSA-N 2 0 393.532 0.951 20 0 GCADRP C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433125962 1193761002 /nfs/dbraw/zinc/76/10/02/1193761002.db2.gz ASBGYMFOBFMLAU-SFHVURJKSA-N 2 0 388.560 0.912 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000433175259 1193773888 /nfs/dbraw/zinc/77/38/88/1193773888.db2.gz LFSOOZYUCQSIOK-UHFFFAOYSA-N 2 0 387.528 0.973 20 0 GCADRP C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433176290 1193774203 /nfs/dbraw/zinc/77/42/03/1193774203.db2.gz OHATVUBIVNOUSW-QGZVFWFLSA-N 2 0 393.576 0.781 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419274569 1193781307 /nfs/dbraw/zinc/78/13/07/1193781307.db2.gz BMWBYUWCAVVGMS-GOEBONIOSA-N 2 0 391.491 0.704 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419288272 1193787428 /nfs/dbraw/zinc/78/74/28/1193787428.db2.gz SLHZMUZULWQBMD-ZIAGYGMSSA-N 2 0 379.480 0.466 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419288336 1193787793 /nfs/dbraw/zinc/78/77/93/1193787793.db2.gz SSMJLMBIZFWMDO-UONOGXRCSA-N 2 0 379.480 0.560 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419294617 1193791991 /nfs/dbraw/zinc/79/19/91/1193791991.db2.gz BUAGZQYRNNWQEG-DZGCQCFKSA-N 2 0 377.464 0.314 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419301341 1193794656 /nfs/dbraw/zinc/79/46/56/1193794656.db2.gz NNIBPVFNRIXZLM-CXAGYDPISA-N 2 0 391.491 0.608 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419301399 1193795337 /nfs/dbraw/zinc/79/53/37/1193795337.db2.gz NWMSCYGBMZKRPP-HOCLYGCPSA-N 2 0 391.491 0.623 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419302702 1193795431 /nfs/dbraw/zinc/79/54/31/1193795431.db2.gz QGUGNSCHOBOZRB-CQSZACIVSA-N 2 0 391.491 0.752 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419303799 1193796533 /nfs/dbraw/zinc/79/65/33/1193796533.db2.gz SRTUSJQRPUTBGL-OAHLLOKOSA-N 2 0 391.491 0.577 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419306611 1193799953 /nfs/dbraw/zinc/79/99/53/1193799953.db2.gz YITNIZSHQRLJQU-DZGCQCFKSA-N 2 0 377.464 0.233 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263233148 1193806802 /nfs/dbraw/zinc/80/68/02/1193806802.db2.gz ITUGIXCPADOJKJ-FCEWJHQRSA-N 2 0 382.549 0.824 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000419332464 1193823566 /nfs/dbraw/zinc/82/35/66/1193823566.db2.gz HVNMMRBHJOQUSK-LJQANCHMSA-N 2 0 387.528 0.390 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000419331299 1193824431 /nfs/dbraw/zinc/82/44/31/1193824431.db2.gz GZBUQMXZKJFVIX-MRXNPFEDSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419335757 1193828541 /nfs/dbraw/zinc/82/85/41/1193828541.db2.gz JYVXRQRHRREBOF-MRXNPFEDSA-N 2 0 375.517 0.151 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000419336838 1193832139 /nfs/dbraw/zinc/83/21/39/1193832139.db2.gz AWBZOBGKRYPSDY-MSOLQXFVSA-N 2 0 376.501 0.160 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000419341711 1193833811 /nfs/dbraw/zinc/83/38/11/1193833811.db2.gz OSKRFGGZJKSGDB-LJQANCHMSA-N 2 0 387.528 0.390 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000419342705 1193834328 /nfs/dbraw/zinc/83/43/28/1193834328.db2.gz PXGNJUBKZDIXBY-KRWDZBQOSA-N 2 0 389.544 0.412 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000419344000 1193836452 /nfs/dbraw/zinc/83/64/52/1193836452.db2.gz RJPRUFOTDBFOKT-KRWDZBQOSA-N 2 0 387.528 0.261 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419360939 1193864662 /nfs/dbraw/zinc/86/46/62/1193864662.db2.gz AGAVDTOOEJHZLA-PBHICJAKSA-N 2 0 388.512 0.431 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419372979 1193876114 /nfs/dbraw/zinc/87/61/14/1193876114.db2.gz NHUDTXSTVLTFCS-MOPGFXCFSA-N 2 0 390.528 0.632 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419372981 1193876172 /nfs/dbraw/zinc/87/61/72/1193876172.db2.gz NHUDTXSTVLTFCS-RBUKOAKNSA-N 2 0 390.528 0.632 20 0 GCADRP CN1CCN(C(=O)c2cc(C(=O)N3CCN(C)C(C)(C)C3)[nH]n2)CC1(C)C ZINC000614410564 1193878924 /nfs/dbraw/zinc/87/89/24/1193878924.db2.gz YWXGSIYARRBFNH-UHFFFAOYSA-N 2 0 376.505 0.742 20 0 GCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000571484809 1193881491 /nfs/dbraw/zinc/88/14/91/1193881491.db2.gz KHARGOGOWADYLY-QZTJIDSGSA-N 2 0 381.565 0.460 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419380924 1193887511 /nfs/dbraw/zinc/88/75/11/1193887511.db2.gz XXTDIVQKEQPNLH-KZNAEPCWSA-N 2 0 382.549 0.824 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC[NH2+]1 ZINC000419388977 1193900240 /nfs/dbraw/zinc/90/02/40/1193900240.db2.gz KUYIPRSWESLTEI-XYPHTWIQSA-N 2 0 394.903 0.648 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000419389458 1193900358 /nfs/dbraw/zinc/90/03/58/1193900358.db2.gz FIJUUWUUHINTCV-PXNSSMCTSA-N 2 0 390.553 0.918 20 0 GCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000513219079 1193923241 /nfs/dbraw/zinc/92/32/41/1193923241.db2.gz NONGGUNBSFCLKC-CABCVRRESA-N 2 0 379.505 0.287 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2csc(CC[NH3+])n2)c1 ZINC000262315285 1193944906 /nfs/dbraw/zinc/94/49/06/1193944906.db2.gz BEOWSSROFRGDAS-UHFFFAOYSA-N 2 0 375.498 0.866 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000262337782 1193945317 /nfs/dbraw/zinc/94/53/17/1193945317.db2.gz GKLHWGPVBTZOIZ-UHFFFAOYSA-N 2 0 375.498 0.866 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000664175865 1193948210 /nfs/dbraw/zinc/94/82/10/1193948210.db2.gz ROGWFODOZNOMGD-ZWKOTPCHSA-N 2 0 395.548 0.470 20 0 GCADRP [NH3+]CC(=O)NCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000262447698 1193948310 /nfs/dbraw/zinc/94/83/10/1193948310.db2.gz VLTKMYCEPRTBSV-UHFFFAOYSA-N 2 0 375.473 0.905 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000549936397 1193948980 /nfs/dbraw/zinc/94/89/80/1193948980.db2.gz BLLKMEZCVBDGBF-GOSISDBHSA-N 2 0 393.576 0.653 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513455578 1193952908 /nfs/dbraw/zinc/95/29/08/1193952908.db2.gz AMOPHRCIHRUVCV-MRXNPFEDSA-N 2 0 382.549 0.650 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000513464453 1193953707 /nfs/dbraw/zinc/95/37/07/1193953707.db2.gz YJZLUIYSTCTSFE-MRXNPFEDSA-N 2 0 383.581 0.563 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000513468716 1193954246 /nfs/dbraw/zinc/95/42/46/1193954246.db2.gz JLYUOTAJWMNKFD-IRXDYDNUSA-N 2 0 382.549 0.650 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2)c1 ZINC000513494374 1193956590 /nfs/dbraw/zinc/95/65/90/1193956590.db2.gz WHSRUGUKCHRDTR-HNNXBMFYSA-N 2 0 391.516 0.831 20 0 GCADRP COCn1nc(C)c(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1C ZINC000433885942 1193956801 /nfs/dbraw/zinc/95/68/01/1193956801.db2.gz RCGGTPQXTZAQIT-UHFFFAOYSA-N 2 0 387.550 0.750 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513486315 1193956928 /nfs/dbraw/zinc/95/69/28/1193956928.db2.gz VQFWURKDTREDAC-SJORKVTESA-N 2 0 395.592 0.706 20 0 GCADRP C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000664218563 1193970414 /nfs/dbraw/zinc/97/04/14/1193970414.db2.gz FDPNNJIQXUVHLY-OALUTQOASA-N 2 0 381.565 0.766 20 0 GCADRP CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466943543 1194012142 /nfs/dbraw/zinc/01/21/42/1194012142.db2.gz PQMKBCQZHQRHEO-HDICACEKSA-N 2 0 388.516 0.693 20 0 GCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419405512 1194021254 /nfs/dbraw/zinc/02/12/54/1194021254.db2.gz HRFUEWMWUKYQDB-JCGIZDLHSA-N 2 0 376.476 0.927 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419421681 1194023375 /nfs/dbraw/zinc/02/33/75/1194023375.db2.gz PBFIZFPBRBTUDM-ROUUACIJSA-N 2 0 387.528 0.511 20 0 GCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419420252 1194023405 /nfs/dbraw/zinc/02/34/05/1194023405.db2.gz MTHUYODWNYRDFJ-LJQANCHMSA-N 2 0 387.528 0.118 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419420658 1194023487 /nfs/dbraw/zinc/02/34/87/1194023487.db2.gz KCXZPZAPPUHGKH-IRXDYDNUSA-N 2 0 382.549 0.827 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419422457 1194024196 /nfs/dbraw/zinc/02/41/96/1194024196.db2.gz QHUNTOPWQOVRSH-IBGZPJMESA-N 2 0 387.528 0.655 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000419425500 1194026465 /nfs/dbraw/zinc/02/64/65/1194026465.db2.gz VVIASYMBQSWXCL-KRWDZBQOSA-N 2 0 375.517 0.335 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427550 1194026713 /nfs/dbraw/zinc/02/67/13/1194026713.db2.gz ZFDBBASXXXRLMP-RBUKOAKNSA-N 2 0 387.528 0.350 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000419425501 1194026813 /nfs/dbraw/zinc/02/68/13/1194026813.db2.gz VVIASYMBQSWXCL-QGZVFWFLSA-N 2 0 375.517 0.335 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419425549 1194026863 /nfs/dbraw/zinc/02/68/63/1194026863.db2.gz VZEPGKJABWPLMG-OALUTQOASA-N 2 0 389.544 0.581 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427879 1194027277 /nfs/dbraw/zinc/02/72/77/1194027277.db2.gz ZZGRZWMJABYYMU-SFHVURJKSA-N 2 0 375.517 0.207 20 0 GCADRP CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419411341 1194029335 /nfs/dbraw/zinc/02/93/35/1194029335.db2.gz HORVYGVZDPXSID-OALUTQOASA-N 2 0 388.512 0.650 20 0 GCADRP CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419411340 1194029697 /nfs/dbraw/zinc/02/96/97/1194029697.db2.gz HORVYGVZDPXSID-MOPGFXCFSA-N 2 0 388.512 0.650 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000419413365 1194030618 /nfs/dbraw/zinc/03/06/18/1194030618.db2.gz FIPMRUPULATVGN-GOSISDBHSA-N 2 0 387.528 0.479 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419414268 1194031093 /nfs/dbraw/zinc/03/10/93/1194031093.db2.gz GMSREXZLDYLZNU-IBGZPJMESA-N 2 0 387.528 0.350 20 0 GCADRP CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419415876 1194031177 /nfs/dbraw/zinc/03/11/77/1194031177.db2.gz NZOSDEIUDNQLMS-GBESFXJTSA-N 2 0 388.512 0.636 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000419414264 1194031497 /nfs/dbraw/zinc/03/14/97/1194031497.db2.gz GMFLLWFSOBUVGT-ZCNNSNEGSA-N 2 0 399.539 0.159 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419416723 1194031533 /nfs/dbraw/zinc/03/15/33/1194031533.db2.gz JFLMDWGABCKQBQ-IBGZPJMESA-N 2 0 387.528 0.303 20 0 GCADRP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419415401 1194031651 /nfs/dbraw/zinc/03/16/51/1194031651.db2.gz NAKKRPACRQFCIP-ROUUACIJSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419414007 1194031743 /nfs/dbraw/zinc/03/17/43/1194031743.db2.gz GLMCYZQDQZYAFP-OAQYLSRUSA-N 2 0 387.528 0.512 20 0 GCADRP CC[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419416486 1194032573 /nfs/dbraw/zinc/03/25/73/1194032573.db2.gz WHXYENXPKAVCAA-OALUTQOASA-N 2 0 388.512 0.516 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000419417326 1194032591 /nfs/dbraw/zinc/03/25/91/1194032591.db2.gz JTTHRQMWOWRUMX-UHFFFAOYSA-N 2 0 387.528 0.308 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419478453 1194039759 /nfs/dbraw/zinc/03/97/59/1194039759.db2.gz JRPGYQNMEQDMPE-SFHVURJKSA-N 2 0 381.565 0.544 20 0 GCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000419481288 1194041283 /nfs/dbraw/zinc/04/12/83/1194041283.db2.gz WQLXWJHMIACIQG-AEFFLSMTSA-N 2 0 376.501 0.183 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419484674 1194042073 /nfs/dbraw/zinc/04/20/73/1194042073.db2.gz UDBWGSNNLRJFBL-QGZVFWFLSA-N 2 0 381.565 0.415 20 0 GCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000419468074 1194042924 /nfs/dbraw/zinc/04/29/24/1194042924.db2.gz AQFYSPXTAKRAER-NZSAHSFTSA-N 2 0 388.512 0.508 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000419509583 1194048274 /nfs/dbraw/zinc/04/82/74/1194048274.db2.gz FJJFOJJPJAGBJT-SFHVURJKSA-N 2 0 387.528 0.492 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)c1 ZINC000419509620 1194048554 /nfs/dbraw/zinc/04/85/54/1194048554.db2.gz FNLTXUMEFNQJEZ-UHFFFAOYSA-N 2 0 399.539 0.659 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419513788 1194051076 /nfs/dbraw/zinc/05/10/76/1194051076.db2.gz NBNXXUSABMZIFA-UHFFFAOYSA-N 2 0 375.517 0.349 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1 ZINC000419514984 1194051602 /nfs/dbraw/zinc/05/16/02/1194051602.db2.gz QHRURKQUPYGNAG-IBGZPJMESA-N 2 0 387.528 0.477 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419516863 1194051768 /nfs/dbraw/zinc/05/17/68/1194051768.db2.gz VHKGDQPLVLVHOW-KRWDZBQOSA-N 2 0 375.517 0.334 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000419513039 1194052072 /nfs/dbraw/zinc/05/20/72/1194052072.db2.gz LDMASCRCBWPONO-SFHVURJKSA-N 2 0 387.528 0.444 20 0 GCADRP CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1CCOC ZINC000501079369 1194053064 /nfs/dbraw/zinc/05/30/64/1194053064.db2.gz ZSEXQUBWBRKVTG-ZWKOTPCHSA-N 2 0 397.564 0.716 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000419535962 1194054771 /nfs/dbraw/zinc/05/47/71/1194054771.db2.gz LQEHFIGKSZRNMU-AEFFLSMTSA-N 2 0 376.501 0.619 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000419536446 1194055013 /nfs/dbraw/zinc/05/50/13/1194055013.db2.gz MLYLYOZQYHEHTA-MSOLQXFVSA-N 2 0 376.501 0.633 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419536402 1194055171 /nfs/dbraw/zinc/05/51/71/1194055171.db2.gz MFCZXYKGWWDNPB-MSOLQXFVSA-N 2 0 376.501 0.762 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000419584382 1194065273 /nfs/dbraw/zinc/06/52/73/1194065273.db2.gz ATMHDASNQPZPOF-HOTGVXAUSA-N 2 0 388.512 0.468 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCSC1 ZINC000419592821 1194067490 /nfs/dbraw/zinc/06/74/90/1194067490.db2.gz XIPJOEQOTSLICE-BXWFABGCSA-N 2 0 382.574 0.921 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000419656113 1194073932 /nfs/dbraw/zinc/07/39/32/1194073932.db2.gz IBQFWEXXOLHXHJ-QGZVFWFLSA-N 2 0 376.501 0.626 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000419656127 1194074077 /nfs/dbraw/zinc/07/40/77/1194074077.db2.gz IFRFVAWYGCAXDT-SFHVURJKSA-N 2 0 392.500 0.210 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000419657809 1194074503 /nfs/dbraw/zinc/07/45/03/1194074503.db2.gz KFYLRPZDWVRTQO-AEFFLSMTSA-N 2 0 390.528 0.729 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000419651599 1194076764 /nfs/dbraw/zinc/07/67/64/1194076764.db2.gz DHEYPNMNDIDADS-QGZVFWFLSA-N 2 0 376.501 0.402 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419661434 1194076887 /nfs/dbraw/zinc/07/68/87/1194076887.db2.gz MSFHAFNALQIZEZ-SFHVURJKSA-N 2 0 390.528 0.886 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000419663503 1194077553 /nfs/dbraw/zinc/07/75/53/1194077553.db2.gz QEJMEGZPMBWOCO-WBVHZDCISA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000419663147 1194077677 /nfs/dbraw/zinc/07/76/77/1194077677.db2.gz POYGPPPBTMBDDX-KRWDZBQOSA-N 2 0 376.501 0.973 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000419667684 1194078770 /nfs/dbraw/zinc/07/87/70/1194078770.db2.gz XSTWXCPNGWVUIY-UHFFFAOYSA-N 2 0 376.501 0.831 20 0 GCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419677949 1194080495 /nfs/dbraw/zinc/08/04/95/1194080495.db2.gz DFUNEZPVJAAAPV-UHFFFAOYSA-N 2 0 388.512 0.735 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCCC1 ZINC000419678985 1194080785 /nfs/dbraw/zinc/08/07/85/1194080785.db2.gz FLFKMBFABMCWFK-QGZVFWFLSA-N 2 0 380.533 0.771 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000419660987 1194082372 /nfs/dbraw/zinc/08/23/72/1194082372.db2.gz LWVVBLNOKAXYRN-AEFFLSMTSA-N 2 0 390.528 0.790 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419706340 1194082906 /nfs/dbraw/zinc/08/29/06/1194082906.db2.gz KDIRLFHNRMPUOR-CWLKWCNXSA-N 2 0 388.512 0.995 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419706343 1194083041 /nfs/dbraw/zinc/08/30/41/1194083041.db2.gz KDIRLFHNRMPUOR-UOVPBQLFSA-N 2 0 388.512 0.995 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419689046 1194084599 /nfs/dbraw/zinc/08/45/99/1194084599.db2.gz IBYPCVHONOSJPD-CABCVRRESA-N 2 0 398.573 0.693 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000419688683 1194084888 /nfs/dbraw/zinc/08/48/88/1194084888.db2.gz RRWWDYAWAKKCJP-UHFFFAOYSA-N 2 0 382.574 0.922 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419689049 1194085008 /nfs/dbraw/zinc/08/50/08/1194085008.db2.gz IBYPCVHONOSJPD-LSDHHAIUSA-N 2 0 398.573 0.693 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCO1 ZINC000419690014 1194085719 /nfs/dbraw/zinc/08/57/19/1194085719.db2.gz JZQIRALQJMXKDP-OAHLLOKOSA-N 2 0 384.546 0.040 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1C[NH3+] ZINC000419696878 1194086782 /nfs/dbraw/zinc/08/67/82/1194086782.db2.gz VSFSPMJUZWGFNK-JKSUJKDBSA-N 2 0 382.574 0.908 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C1CCCC1 ZINC000419697676 1194087304 /nfs/dbraw/zinc/08/73/04/1194087304.db2.gz QXHIDQGQHMUXBF-ZWKOTPCHSA-N 2 0 380.533 0.722 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419697605 1194087529 /nfs/dbraw/zinc/08/75/29/1194087529.db2.gz WYTPBSUSMGPDOB-INIZCTEOSA-N 2 0 382.574 0.922 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000419699270 1194087709 /nfs/dbraw/zinc/08/77/09/1194087709.db2.gz VZZKVGGHJDXEEX-BHIYHBOVSA-N 2 0 392.544 0.864 20 0 GCADRP COc1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1OCC[NH+](C)C ZINC000419701355 1194088219 /nfs/dbraw/zinc/08/82/19/1194088219.db2.gz UAKYNYGYIQGDJA-UHFFFAOYSA-N 2 0 378.473 0.786 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000419731803 1194089347 /nfs/dbraw/zinc/08/93/47/1194089347.db2.gz RMJZLHXZOYICKV-OALUTQOASA-N 2 0 384.480 0.793 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@H](C)[NH2+]1 ZINC000419742293 1194094784 /nfs/dbraw/zinc/09/47/84/1194094784.db2.gz DSTXOACKJVIOJL-IYBDPMFKSA-N 2 0 388.512 0.468 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)CCCC2)CC1 ZINC000419754000 1194097667 /nfs/dbraw/zinc/09/76/67/1194097667.db2.gz OISUJLBYZLCAFE-JKSUJKDBSA-N 2 0 380.533 0.722 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccc(F)cc1 ZINC000419754690 1194098103 /nfs/dbraw/zinc/09/81/03/1194098103.db2.gz BQQDPEZMUBWCTE-SZMVWBNQSA-N 2 0 376.476 0.960 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000419758242 1194098535 /nfs/dbraw/zinc/09/85/35/1194098535.db2.gz JRDKZIMUUNYDJR-JFIYKMOQSA-N 2 0 376.476 0.878 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CCCC2)CC1 ZINC000419755396 1194098666 /nfs/dbraw/zinc/09/86/66/1194098666.db2.gz QJTYBMJLUKWJMG-WBVHZDCISA-N 2 0 378.517 0.347 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419759971 1194098886 /nfs/dbraw/zinc/09/88/86/1194098886.db2.gz YVESTYCLTCDRKN-HIFRSBDPSA-N 2 0 384.521 0.221 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccc(F)cc1 ZINC000419759006 1194098983 /nfs/dbraw/zinc/09/89/83/1194098983.db2.gz LOQPMYUPCCGSDL-UHFFFAOYSA-N 2 0 394.491 0.730 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419769213 1194102260 /nfs/dbraw/zinc/10/22/60/1194102260.db2.gz DKRUXIHZMBPPGG-HOTGVXAUSA-N 2 0 395.548 0.069 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000419769821 1194102271 /nfs/dbraw/zinc/10/22/71/1194102271.db2.gz WDQJGFFFPCSUJQ-RBUKOAKNSA-N 2 0 388.512 0.508 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C(C)C ZINC000419794908 1194105111 /nfs/dbraw/zinc/10/51/11/1194105111.db2.gz HYLMYSJFDHXECI-QZTJIDSGSA-N 2 0 382.549 0.966 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824203 1194110218 /nfs/dbraw/zinc/11/02/18/1194110218.db2.gz MMAXPRCTAADPCP-IAGOWNOFSA-N 2 0 381.565 0.271 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000419806909 1194111484 /nfs/dbraw/zinc/11/14/84/1194111484.db2.gz SJEHOKCODIGCBT-UHFFFAOYSA-N 2 0 393.576 0.781 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCC2)cc1 ZINC000419831757 1194116430 /nfs/dbraw/zinc/11/64/30/1194116430.db2.gz XCILYIIFRUIJDT-NEWSRXKRSA-N 2 0 386.496 0.769 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000419835436 1194117004 /nfs/dbraw/zinc/11/70/04/1194117004.db2.gz VCJBTEMKYIJCHG-QGZVFWFLSA-N 2 0 381.565 0.415 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419852720 1194120823 /nfs/dbraw/zinc/12/08/23/1194120823.db2.gz LXDWOOGTLHPUKA-LJQANCHMSA-N 2 0 387.528 0.179 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000419861077 1194123970 /nfs/dbraw/zinc/12/39/70/1194123970.db2.gz DEWWWYFFFAQWCH-INIZCTEOSA-N 2 0 393.557 0.413 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419862038 1194124473 /nfs/dbraw/zinc/12/44/73/1194124473.db2.gz GDKCTTGIIULJKG-UHFFFAOYSA-N 2 0 375.517 0.166 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863715 1194125767 /nfs/dbraw/zinc/12/57/67/1194125767.db2.gz IBGFZKPUSUGMKU-MJGOQNOKSA-N 2 0 387.528 0.035 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419863585 1194125790 /nfs/dbraw/zinc/12/57/90/1194125790.db2.gz HUJGKHGBDNYBQX-UHFFFAOYSA-N 2 0 387.528 0.310 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000419864437 1194126287 /nfs/dbraw/zinc/12/62/87/1194126287.db2.gz IWHUYHRFRFFJPM-KRWDZBQOSA-N 2 0 375.517 0.035 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419870512 1194127950 /nfs/dbraw/zinc/12/79/50/1194127950.db2.gz OMWNZBKOFDASIW-IBGZPJMESA-N 2 0 387.528 0.179 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@@H](C)O1 ZINC000419851747 1194129689 /nfs/dbraw/zinc/12/96/89/1194129689.db2.gz JLTWAZYJFXVECT-HZPDHXFCSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419877060 1194130327 /nfs/dbraw/zinc/13/03/27/1194130327.db2.gz WLWLYOPRHJWJEO-RTBURBONSA-N 2 0 393.576 0.511 20 0 GCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)CC1 ZINC000419878711 1194130569 /nfs/dbraw/zinc/13/05/69/1194130569.db2.gz YGCIYBIHIAUSCG-UHFFFAOYSA-N 2 0 393.576 0.557 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCCCCC1 ZINC000419880012 1194131218 /nfs/dbraw/zinc/13/12/18/1194131218.db2.gz ZPIJSEVUQXZSSK-SFHVURJKSA-N 2 0 381.565 0.415 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000419882821 1194132492 /nfs/dbraw/zinc/13/24/92/1194132492.db2.gz VMTSFARZKYAZLI-AYOQOUSVSA-N 2 0 388.512 0.810 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419901765 1194137500 /nfs/dbraw/zinc/13/75/00/1194137500.db2.gz UPVAHPMYZAVJQC-JFIYKMOQSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000419914293 1194138185 /nfs/dbraw/zinc/13/81/85/1194138185.db2.gz BQPNAIUUMXYLSI-VQIMIIECSA-N 2 0 387.528 0.430 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419918619 1194138512 /nfs/dbraw/zinc/13/85/12/1194138512.db2.gz UTLQQZPCLULZEA-CQSZACIVSA-N 2 0 382.455 0.971 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000419908128 1194140997 /nfs/dbraw/zinc/14/09/97/1194140997.db2.gz YFESZVYUAHEDPP-RTBURBONSA-N 2 0 388.512 0.810 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419906657 1194141024 /nfs/dbraw/zinc/14/10/24/1194141024.db2.gz AOLVMWRAUWWLEI-LMMKCTJWSA-N 2 0 394.560 0.840 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000419911984 1194142891 /nfs/dbraw/zinc/14/28/91/1194142891.db2.gz VFIGZLAYKQFHJY-FUHWJXTLSA-N 2 0 392.548 0.767 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000419968352 1194148927 /nfs/dbraw/zinc/14/89/27/1194148927.db2.gz DFEJQIXDGNMHIH-QFBILLFUSA-N 2 0 393.576 0.637 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000419968353 1194149101 /nfs/dbraw/zinc/14/91/01/1194149101.db2.gz DFEJQIXDGNMHIH-VQIMIIECSA-N 2 0 393.576 0.637 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419968932 1194149546 /nfs/dbraw/zinc/14/95/46/1194149546.db2.gz FJGKEYSUAZZJAR-SFHVURJKSA-N 2 0 382.549 0.827 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419969378 1194149644 /nfs/dbraw/zinc/14/96/44/1194149644.db2.gz SBLVJEPKKWVOOL-GOSISDBHSA-N 2 0 381.565 0.495 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419973239 1194150297 /nfs/dbraw/zinc/15/02/97/1194150297.db2.gz HKFCZDHZCGBDHC-QXAKKESOSA-N 3 0 395.592 0.754 20 0 GCADRP COc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000419973134 1194150347 /nfs/dbraw/zinc/15/03/47/1194150347.db2.gz IWGZIOJOYIPNLB-SFHVURJKSA-N 2 0 376.501 0.829 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000419978800 1194151382 /nfs/dbraw/zinc/15/13/82/1194151382.db2.gz OPYQJMNAQFBWAP-GOSISDBHSA-N 2 0 380.533 0.581 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419981259 1194152022 /nfs/dbraw/zinc/15/20/22/1194152022.db2.gz TWTFHOTZLGDALU-WIYYLYMNSA-N 2 0 390.528 0.571 20 0 GCADRP CN(C[C@H]1CCC[NH+]1C)c1nc(C(N)=O)cc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000894246960 1194156428 /nfs/dbraw/zinc/15/64/28/1194156428.db2.gz BAWORIQHFRNXER-LSDHHAIUSA-N 2 0 375.521 0.636 20 0 GCADRP CN1CCC(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000420005566 1194156797 /nfs/dbraw/zinc/15/67/97/1194156797.db2.gz WUVVUYKBKHBGDV-GOSISDBHSA-N 2 0 393.576 0.559 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000420062852 1194164799 /nfs/dbraw/zinc/16/47/99/1194164799.db2.gz NENMOMQRDBPULF-QZTJIDSGSA-N 2 0 393.576 0.496 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420042462 1194167019 /nfs/dbraw/zinc/16/70/19/1194167019.db2.gz QRKJGVBAFIKLRU-HIFRSBDPSA-N 2 0 382.530 0.868 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420043665 1194168116 /nfs/dbraw/zinc/16/81/16/1194168116.db2.gz OUDXQCBJFMGKIG-XYVMCAHJSA-N 2 0 380.533 0.578 20 0 GCADRP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420084507 1194174463 /nfs/dbraw/zinc/17/44/63/1194174463.db2.gz ABKOXTUYQZTDHU-MSOLQXFVSA-N 2 0 393.576 0.780 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)C2)CC1 ZINC000420065979 1194176278 /nfs/dbraw/zinc/17/62/78/1194176278.db2.gz YFNXOUXJXRQDPL-LJQANCHMSA-N 2 0 393.576 0.653 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000420111474 1194181138 /nfs/dbraw/zinc/18/11/38/1194181138.db2.gz WUEARFKETRMBSV-OXQOHEQNSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000420109873 1194181198 /nfs/dbraw/zinc/18/11/98/1194181198.db2.gz FEGAAMJMSXSXOC-DODZYUBVSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420090676 1194183091 /nfs/dbraw/zinc/18/30/91/1194183091.db2.gz DXVZNXQJSIVOKX-UEXGIBASSA-N 2 0 393.576 0.509 20 0 GCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420094816 1194183596 /nfs/dbraw/zinc/18/35/96/1194183596.db2.gz FECGTGNZSMETEC-UHFFFAOYSA-N 2 0 386.496 0.477 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000420137163 1194184700 /nfs/dbraw/zinc/18/47/00/1194184700.db2.gz WRYUQSOAMZARQH-DODZYUBVSA-N 2 0 394.560 0.839 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000420133581 1194190610 /nfs/dbraw/zinc/19/06/10/1194190610.db2.gz TYPPGHIIWWSJKX-DOTOQJQBSA-N 2 0 376.501 0.842 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420143957 1194192835 /nfs/dbraw/zinc/19/28/35/1194192835.db2.gz ZRMHWXUFHWNDNW-CALCHBBNSA-N 2 0 377.533 0.039 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1C1CC[NH+](C)CC1 ZINC000420154513 1194195163 /nfs/dbraw/zinc/19/51/63/1194195163.db2.gz CEYIBOIIYGFPBS-WMZOPIPTSA-N 2 0 393.576 0.508 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501586929 1194196566 /nfs/dbraw/zinc/19/65/66/1194196566.db2.gz VHWLEKWCUWVZER-IAGOWNOFSA-N 2 0 380.533 0.452 20 0 GCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501586930 1194196590 /nfs/dbraw/zinc/19/65/90/1194196590.db2.gz VHWLEKWCUWVZER-IRXDYDNUSA-N 2 0 380.533 0.452 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501586931 1194196747 /nfs/dbraw/zinc/19/67/47/1194196747.db2.gz VHWLEKWCUWVZER-SJORKVTESA-N 2 0 380.533 0.452 20 0 GCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420182058 1194197009 /nfs/dbraw/zinc/19/70/09/1194197009.db2.gz FDYQBMPEHDIEHP-GOSISDBHSA-N 2 0 382.549 0.842 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420183500 1194197659 /nfs/dbraw/zinc/19/76/59/1194197659.db2.gz GZRBGAUMTOJWGV-MRXNPFEDSA-N 2 0 398.454 0.350 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501591318 1194198491 /nfs/dbraw/zinc/19/84/91/1194198491.db2.gz UJTGMAHPHNIOEW-INIZCTEOSA-N 2 0 380.533 0.546 20 0 GCADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261814879 1194198933 /nfs/dbraw/zinc/19/89/33/1194198933.db2.gz JVONRHFWXKRKAD-NJAFHUGGSA-N 2 0 388.516 0.496 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000420169555 1194200294 /nfs/dbraw/zinc/20/02/94/1194200294.db2.gz QNLALABTEUHKKH-QGZVFWFLSA-N 2 0 376.501 0.462 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420172109 1194200686 /nfs/dbraw/zinc/20/06/86/1194200686.db2.gz SYBAQWYLXPPYRY-MDKPJZGXSA-N 2 0 388.512 0.339 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@@H](C)O1 ZINC000420173637 1194201139 /nfs/dbraw/zinc/20/11/39/1194201139.db2.gz VQGWWHIYKWVPTJ-YWTNHNAXSA-N 2 0 394.560 0.981 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000420173356 1194201172 /nfs/dbraw/zinc/20/11/72/1194201172.db2.gz VBHCVUAJLLSFFA-KRWDZBQOSA-N 2 0 382.549 0.842 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000420174186 1194201725 /nfs/dbraw/zinc/20/17/25/1194201725.db2.gz YFQFZKDHLDHHPB-IAGOWNOFSA-N 2 0 379.549 0.119 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000420174184 1194201826 /nfs/dbraw/zinc/20/18/26/1194201826.db2.gz YFQFZKDHLDHHPB-DLBZAZTESA-N 2 0 379.549 0.119 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420199602 1194202535 /nfs/dbraw/zinc/20/25/35/1194202535.db2.gz WTBTXTONEFFOAU-OAHLLOKOSA-N 2 0 398.454 0.350 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2CS3)CC[NH+](Cc2ccccc2)CC1 ZINC000420200089 1194202828 /nfs/dbraw/zinc/20/28/28/1194202828.db2.gz FQUFCZBBYMXYGI-IRXDYDNUSA-N 2 0 388.537 0.812 20 0 GCADRP CC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000420202482 1194203734 /nfs/dbraw/zinc/20/37/34/1194203734.db2.gz JIPWQHUMVDOWGS-SFHVURJKSA-N 2 0 388.512 0.734 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000420203901 1194204905 /nfs/dbraw/zinc/20/49/05/1194204905.db2.gz LLWYFULBJBURKR-IXDOHACOSA-N 2 0 376.501 0.983 20 0 GCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420207235 1194205420 /nfs/dbraw/zinc/20/54/20/1194205420.db2.gz TWMBLNAJHBIYHP-QRQLOZEOSA-N 2 0 388.512 0.603 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420192644 1194207859 /nfs/dbraw/zinc/20/78/59/1194207859.db2.gz QXDVKDCSJYECMB-IEBWSBKVSA-N 2 0 388.512 0.604 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624368 1194209850 /nfs/dbraw/zinc/20/98/50/1194209850.db2.gz NSCIUXJPHZHAPA-OALUTQOASA-N 2 0 394.560 0.936 20 0 GCADRP C[C@@H]1OCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000420209535 1194211773 /nfs/dbraw/zinc/21/17/73/1194211773.db2.gz SZVOJMGSWCJDEL-IRXDYDNUSA-N 2 0 388.512 0.732 20 0 GCADRP COCCN(C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000420210144 1194212312 /nfs/dbraw/zinc/21/23/12/1194212312.db2.gz UIUTZHHXWCBMMJ-UHFFFAOYSA-N 2 0 388.512 0.734 20 0 GCADRP CO[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420212098 1194213322 /nfs/dbraw/zinc/21/33/22/1194213322.db2.gz WPRLIADYBPITNO-SFHVURJKSA-N 2 0 388.512 0.734 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCC1 ZINC000501636437 1194217254 /nfs/dbraw/zinc/21/72/54/1194217254.db2.gz FKGINASMXPRBRC-KRWDZBQOSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501641920 1194217837 /nfs/dbraw/zinc/21/78/37/1194217837.db2.gz SDNPRMAMCURTDX-RKVPGOIHSA-N 2 0 378.517 0.202 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000501648653 1194219287 /nfs/dbraw/zinc/21/92/87/1194219287.db2.gz YQJGKCDMNHAXSM-PKOBYXMFSA-N 2 0 392.544 0.690 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000501648652 1194219539 /nfs/dbraw/zinc/21/95/39/1194219539.db2.gz YQJGKCDMNHAXSM-MJGOQNOKSA-N 2 0 392.544 0.690 20 0 GCADRP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347223 1194222180 /nfs/dbraw/zinc/22/21/80/1194222180.db2.gz FVPUFHWFVHUUML-INIZCTEOSA-N 2 0 382.530 0.295 20 0 GCADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000420387705 1194225757 /nfs/dbraw/zinc/22/57/57/1194225757.db2.gz WFRNOZDCMXVNST-QGZVFWFLSA-N 2 0 385.472 0.790 20 0 GCADRP COC(=O)c1cnc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000502082956 1194266815 /nfs/dbraw/zinc/26/68/15/1194266815.db2.gz XJVIKWNMOXLDCS-UHFFFAOYSA-N 2 0 384.440 0.600 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)N1CC[NH+](C)CC1 ZINC000421249667 1194317140 /nfs/dbraw/zinc/31/71/40/1194317140.db2.gz MLLFZNRAXALBOB-ZWKOTPCHSA-N 2 0 381.565 0.316 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CCN1C1CC[NH+](C)CC1 ZINC000422103440 1194386051 /nfs/dbraw/zinc/38/60/51/1194386051.db2.gz GSESGRVOQJQIQU-FUHWJXTLSA-N 2 0 379.549 0.166 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)C1 ZINC000652728654 1194444309 /nfs/dbraw/zinc/44/43/09/1194444309.db2.gz UWIRWUOUKUDFPT-RDGPPVDQSA-N 2 0 392.544 0.818 20 0 GCADRP C[C@@H]([NH2+]CCCOCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000272602564 1194477468 /nfs/dbraw/zinc/47/74/68/1194477468.db2.gz UOYZTEHEBGEPNT-MRXNPFEDSA-N 2 0 387.546 0.966 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000272659201 1194484169 /nfs/dbraw/zinc/48/41/69/1194484169.db2.gz HOBYBMAIPCCHOT-QGZVFWFLSA-N 2 0 389.500 0.401 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000272659199 1194484583 /nfs/dbraw/zinc/48/45/83/1194484583.db2.gz HOBYBMAIPCCHOT-KRWDZBQOSA-N 2 0 389.500 0.401 20 0 GCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000273026877 1194532002 /nfs/dbraw/zinc/53/20/02/1194532002.db2.gz CXVFCMCTTFVIIW-INIZCTEOSA-N 2 0 376.501 0.563 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC000422238531 1194593317 /nfs/dbraw/zinc/59/33/17/1194593317.db2.gz LKNBJUSDWAOGES-UHFFFAOYSA-N 2 0 396.557 0.865 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000422290385 1194604164 /nfs/dbraw/zinc/60/41/64/1194604164.db2.gz AOQFMUGDJWXCJC-QGZVFWFLSA-N 2 0 380.533 0.689 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000422425958 1194638079 /nfs/dbraw/zinc/63/80/79/1194638079.db2.gz NKCZZWCTHAUPFT-IEBWSBKVSA-N 2 0 393.576 0.604 20 0 GCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000422495626 1194651757 /nfs/dbraw/zinc/65/17/57/1194651757.db2.gz SLYWODFKDHXIMO-KRWDZBQOSA-N 2 0 380.533 0.405 20 0 GCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000422493072 1194651831 /nfs/dbraw/zinc/65/18/31/1194651831.db2.gz XJEVMUJCFSFLIG-KRWDZBQOSA-N 2 0 380.533 0.405 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000422490164 1194656640 /nfs/dbraw/zinc/65/66/40/1194656640.db2.gz MKAKOHRXVJFVDB-QZTJIDSGSA-N 2 0 393.576 0.461 20 0 GCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000422536753 1194664887 /nfs/dbraw/zinc/66/48/87/1194664887.db2.gz DMLBARRHXXMPRD-LMMKCTJWSA-N 2 0 394.560 0.935 20 0 GCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000422547346 1194668478 /nfs/dbraw/zinc/66/84/78/1194668478.db2.gz WNTNFSTXTCCQIV-RXVVDRJESA-N 2 0 388.512 0.292 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000503468014 1194674558 /nfs/dbraw/zinc/67/45/58/1194674558.db2.gz HLHSQDPJHJSXRE-QZTJIDSGSA-N 2 0 395.548 0.435 20 0 GCADRP COc1cccc(CC(=O)N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414682663 1194689288 /nfs/dbraw/zinc/68/92/88/1194689288.db2.gz ACUCHMHUKRIVRR-SFHVURJKSA-N 2 0 388.512 0.579 20 0 GCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714569 1194693643 /nfs/dbraw/zinc/69/36/43/1194693643.db2.gz LBWZXBACTQXVJV-IAGOWNOFSA-N 2 0 376.505 0.262 20 0 GCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422892865 1194707918 /nfs/dbraw/zinc/70/79/18/1194707918.db2.gz ZNXAONHSSBPMNA-CEXWTWQISA-N 2 0 388.512 0.767 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCN(C(=O)C3CCC3)CC2)CC[NH2+]CC1 ZINC000422953595 1194712516 /nfs/dbraw/zinc/71/25/16/1194712516.db2.gz FTWQMJLGAQTNGA-KRWDZBQOSA-N 2 0 394.560 0.842 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423084569 1194726363 /nfs/dbraw/zinc/72/63/63/1194726363.db2.gz IJGFGSIFFWADFL-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423092965 1194726831 /nfs/dbraw/zinc/72/68/31/1194726831.db2.gz FBMUTLAHUDKNTO-MRXNPFEDSA-N 2 0 380.464 0.292 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423093389 1194726886 /nfs/dbraw/zinc/72/68/86/1194726886.db2.gz HIBBCPZRIYJBSV-RDJZCZTQSA-N 2 0 376.476 0.784 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423128167 1194729354 /nfs/dbraw/zinc/72/93/54/1194729354.db2.gz KLIMGLWXVBVWHZ-JQHSSLGASA-N 2 0 379.549 0.057 20 0 GCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423129742 1194729523 /nfs/dbraw/zinc/72/95/23/1194729523.db2.gz MDCCKOQFGXKWCY-GOSISDBHSA-N 2 0 381.565 0.319 20 0 GCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423129744 1194729745 /nfs/dbraw/zinc/72/97/45/1194729745.db2.gz MDCCKOQFGXKWCY-SFHVURJKSA-N 2 0 381.565 0.319 20 0 GCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423185438 1194734191 /nfs/dbraw/zinc/73/41/91/1194734191.db2.gz JKNOMLJJCPQMCY-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423164699 1194734663 /nfs/dbraw/zinc/73/46/63/1194734663.db2.gz OXILWHVEPNXRDD-SJLPKXTDSA-N 2 0 376.476 0.926 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423167283 1194734967 /nfs/dbraw/zinc/73/49/67/1194734967.db2.gz RXTGDLJKUSITCW-IAGOWNOFSA-N 2 0 376.476 0.784 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423166636 1194735206 /nfs/dbraw/zinc/73/52/06/1194735206.db2.gz RJOKXHMBGOWLKD-XUVXKRRUSA-N 2 0 399.539 0.962 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423207137 1194736660 /nfs/dbraw/zinc/73/66/60/1194736660.db2.gz RELNPLBJLZPHAN-INIZCTEOSA-N 2 0 382.892 0.416 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000423210537 1194736944 /nfs/dbraw/zinc/73/69/44/1194736944.db2.gz WZWAPLOKIVMHGV-HNNXBMFYSA-N 2 0 382.455 0.923 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423207757 1194736971 /nfs/dbraw/zinc/73/69/71/1194736971.db2.gz SFTLPSLKNABOKS-OAHLLOKOSA-N 2 0 398.454 0.431 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423210830 1194737624 /nfs/dbraw/zinc/73/76/24/1194737624.db2.gz XRPXDYHQBIIHOV-SCTDSRPQSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423200298 1194738698 /nfs/dbraw/zinc/73/86/98/1194738698.db2.gz FJIBRJDLMBASNM-MRXNPFEDSA-N 2 0 398.454 0.431 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423205609 1194739448 /nfs/dbraw/zinc/73/94/48/1194739448.db2.gz FEJUNJGGASSSPD-QRVBRYPASA-N 2 0 393.576 0.591 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000423204800 1194739844 /nfs/dbraw/zinc/73/98/44/1194739844.db2.gz OOWJEXAMOSLVGK-PZTGFMGMSA-N 2 0 394.560 0.778 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423217429 1194740842 /nfs/dbraw/zinc/74/08/42/1194740842.db2.gz UDVPMJUZYGSCQL-CALCHBBNSA-N 2 0 381.565 0.447 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423220000 1194741045 /nfs/dbraw/zinc/74/10/45/1194741045.db2.gz XPTFPVDAOFUNCL-KURKYZTESA-N 2 0 380.533 0.404 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000423218976 1194741142 /nfs/dbraw/zinc/74/11/42/1194741142.db2.gz STHFHXAEHOVFHH-UHFFFAOYSA-N 2 0 380.533 0.820 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423218777 1194741204 /nfs/dbraw/zinc/74/12/04/1194741204.db2.gz WAVRXAUISCOZQK-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCO1 ZINC000423233366 1194742420 /nfs/dbraw/zinc/74/24/20/1194742420.db2.gz OFPWVTVCQQGJAY-LJQANCHMSA-N 2 0 388.512 0.340 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000423263813 1194743134 /nfs/dbraw/zinc/74/31/34/1194743134.db2.gz PANGSRAKRWQOID-IBGZPJMESA-N 2 0 387.528 0.070 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000423263814 1194743209 /nfs/dbraw/zinc/74/32/09/1194743209.db2.gz PANGSRAKRWQOID-LJQANCHMSA-N 2 0 387.528 0.070 20 0 GCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000423255332 1194743939 /nfs/dbraw/zinc/74/39/39/1194743939.db2.gz BRYVNHBDEPKQIL-UHFFFAOYSA-N 2 0 389.500 0.587 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000423255110 1194743984 /nfs/dbraw/zinc/74/39/84/1194743984.db2.gz AUEPRFKBTVOMTO-LSDHHAIUSA-N 2 0 375.473 0.325 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423259395 1194744448 /nfs/dbraw/zinc/74/44/48/1194744448.db2.gz DQESWTQUPXIKFB-QGZVFWFLSA-N 2 0 398.548 0.017 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271118 1194745471 /nfs/dbraw/zinc/74/54/71/1194745471.db2.gz XGLLPBPZQYRWQZ-LJQANCHMSA-N 2 0 387.528 0.212 20 0 GCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000423385760 1194752517 /nfs/dbraw/zinc/75/25/17/1194752517.db2.gz RAVISFJZPJRTQA-QGZVFWFLSA-N 2 0 393.576 0.461 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000423376717 1194753532 /nfs/dbraw/zinc/75/35/32/1194753532.db2.gz BDKFDAAWFMOTRU-KGLIPLIRSA-N 3 0 380.455 0.734 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423424494 1194754423 /nfs/dbraw/zinc/75/44/23/1194754423.db2.gz FULIMGNWKWFLNP-GOSISDBHSA-N 2 0 382.549 0.922 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000423408892 1194755138 /nfs/dbraw/zinc/75/51/38/1194755138.db2.gz BBNBBJLASRLRSA-MSOLQXFVSA-N 2 0 382.549 0.918 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423418096 1194755359 /nfs/dbraw/zinc/75/53/59/1194755359.db2.gz UDRUEDUODOVVJQ-MSOLQXFVSA-N 2 0 382.549 0.922 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423416631 1194755472 /nfs/dbraw/zinc/75/54/72/1194755472.db2.gz REPYCKRVALGCOJ-QGZVFWFLSA-N 2 0 382.549 0.781 20 0 GCADRP [NH3+]CC1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000423442377 1194755536 /nfs/dbraw/zinc/75/55/36/1194755536.db2.gz JYNFRJNUXZMYPV-UHFFFAOYSA-N 2 0 380.533 0.535 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423443872 1194755645 /nfs/dbraw/zinc/75/56/45/1194755645.db2.gz KWKARJAKZALXAC-OALUTQOASA-N 2 0 394.560 0.651 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000423443936 1194755792 /nfs/dbraw/zinc/75/57/92/1194755792.db2.gz LBCAXACYVFZTOJ-MHORFTMASA-N 2 0 380.533 0.532 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423443980 1194755866 /nfs/dbraw/zinc/75/58/66/1194755866.db2.gz LELFZPVKNDPGCH-RTBURBONSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[C@@H]1[NH3+] ZINC000423449308 1194756100 /nfs/dbraw/zinc/75/61/00/1194756100.db2.gz RJEHSQRVXQIEDX-AEFFLSMTSA-N 2 0 380.533 0.533 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423452094 1194756573 /nfs/dbraw/zinc/75/65/73/1194756573.db2.gz VXMNOWHIDDLTQC-RBUKOAKNSA-N 2 0 394.560 0.651 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000423471256 1194758632 /nfs/dbraw/zinc/75/86/32/1194758632.db2.gz FDCQEAZSAVAQQO-RDJZCZTQSA-N 2 0 376.501 0.781 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000423475198 1194758824 /nfs/dbraw/zinc/75/88/24/1194758824.db2.gz IPQKHOHZZOGGII-HOTGVXAUSA-N 2 0 376.501 0.794 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000549965792 1194758916 /nfs/dbraw/zinc/75/89/16/1194758916.db2.gz NYUAERMDKNMARR-UHFFFAOYSA-N 2 0 397.564 0.234 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423480315 1194759446 /nfs/dbraw/zinc/75/94/46/1194759446.db2.gz PGNTYOJYZIOMFB-ZWKOTPCHSA-N 2 0 388.512 0.653 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423497988 1194759667 /nfs/dbraw/zinc/75/96/67/1194759667.db2.gz AUWRMCGUFMPEKK-CGTJXYLNSA-N 2 0 379.549 0.342 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)CC1 ZINC000423505732 1194759972 /nfs/dbraw/zinc/75/99/72/1194759972.db2.gz HPMPVNPBPFPISG-GOSISDBHSA-N 2 0 393.576 0.591 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423494213 1194760911 /nfs/dbraw/zinc/76/09/11/1194760911.db2.gz ACEVVCKISUUGHN-FVJLSDCUSA-N 2 0 394.560 0.922 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423528519 1194761215 /nfs/dbraw/zinc/76/12/15/1194761215.db2.gz NKDDLLNERRLJBB-RTBURBONSA-N 2 0 395.592 0.850 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529114 1194761352 /nfs/dbraw/zinc/76/13/52/1194761352.db2.gz NXHHKHLZCJFOQD-NEWSRXKRSA-N 2 0 393.576 0.602 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529118 1194761559 /nfs/dbraw/zinc/76/15/59/1194761559.db2.gz NXHHKHLZCJFOQD-UHOSZYNNSA-N 2 0 393.576 0.602 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529120 1194761582 /nfs/dbraw/zinc/76/15/82/1194761582.db2.gz NXHHKHLZCJFOQD-YTQUADARSA-N 2 0 393.576 0.602 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423511156 1194761957 /nfs/dbraw/zinc/76/19/57/1194761957.db2.gz NLOCDXFTPBHUAI-MSOLQXFVSA-N 2 0 382.549 0.922 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423519475 1194762547 /nfs/dbraw/zinc/76/25/47/1194762547.db2.gz JITZEEKWFBJYJY-UHOSZYNNSA-N 2 0 394.560 0.922 20 0 GCADRP C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523050 1194763087 /nfs/dbraw/zinc/76/30/87/1194763087.db2.gz MVTNZEJIROWCBW-WBVHZDCISA-N 2 0 384.546 0.556 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000423575774 1194769004 /nfs/dbraw/zinc/76/90/04/1194769004.db2.gz WTVNPDQAIOAWMO-MMOPVJDHSA-N 2 0 388.512 0.278 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000423576051 1194769294 /nfs/dbraw/zinc/76/92/94/1194769294.db2.gz XGDJXIWFMHGGPA-LLGFUMIMSA-N 2 0 388.512 0.291 20 0 GCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423612555 1194773618 /nfs/dbraw/zinc/77/36/18/1194773618.db2.gz PWPCZPBIQVVXOH-QGZVFWFLSA-N 2 0 393.557 0.144 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423635553 1194776233 /nfs/dbraw/zinc/77/62/33/1194776233.db2.gz RRVRGTVQYHQCEI-LJQANCHMSA-N 2 0 387.528 0.070 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623323 1194777874 /nfs/dbraw/zinc/77/78/74/1194777874.db2.gz OEKGCWAYUFRSPN-RXVVDRJESA-N 2 0 388.512 0.422 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623321 1194778033 /nfs/dbraw/zinc/77/80/33/1194778033.db2.gz OEKGCWAYUFRSPN-GHTZIAJQSA-N 2 0 388.512 0.422 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000423651308 1194779373 /nfs/dbraw/zinc/77/93/73/1194779373.db2.gz LSFJADORFQYSSY-LZJOCLMNSA-N 2 0 388.512 0.291 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000423662927 1194780846 /nfs/dbraw/zinc/78/08/46/1194780846.db2.gz FYUFHUDTUCMJHP-QZTJIDSGSA-N 2 0 380.533 0.676 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660700 1194780916 /nfs/dbraw/zinc/78/09/16/1194780916.db2.gz KSHHCWACXZDUMA-JENIJYKNSA-N 2 0 394.560 0.935 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423666590 1194781932 /nfs/dbraw/zinc/78/19/32/1194781932.db2.gz SFTVQPQWMMJLHM-GOSISDBHSA-N 2 0 380.533 0.548 20 0 GCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423670766 1194782407 /nfs/dbraw/zinc/78/24/07/1194782407.db2.gz VLLBZEAJCPFQAL-UHFFFAOYSA-N 2 0 388.512 0.545 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[C@@H](C[NH3+])C1 ZINC000423671293 1194782795 /nfs/dbraw/zinc/78/27/95/1194782795.db2.gz NGDMYDFXIKQVAS-IPMKNSEASA-N 2 0 394.560 0.922 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423697595 1194783456 /nfs/dbraw/zinc/78/34/56/1194783456.db2.gz NCIDIIAEQDDQQP-WMZOPIPTSA-N 2 0 398.548 0.301 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000423694337 1194783474 /nfs/dbraw/zinc/78/34/74/1194783474.db2.gz ATEOUIZAGPCZRY-GOSISDBHSA-N 2 0 398.548 0.173 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423673884 1194784128 /nfs/dbraw/zinc/78/41/28/1194784128.db2.gz GYEULXHBYNPPMQ-RDGPPVDQSA-N 2 0 393.576 0.732 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423690773 1194786302 /nfs/dbraw/zinc/78/63/02/1194786302.db2.gz YYKJBXJHCYWVHJ-SJORKVTESA-N 2 0 395.548 0.023 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423690766 1194786431 /nfs/dbraw/zinc/78/64/31/1194786431.db2.gz YYKJBXJHCYWVHJ-DLBZAZTESA-N 2 0 395.548 0.023 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423722232 1194789157 /nfs/dbraw/zinc/78/91/57/1194789157.db2.gz PPDZMRBYSJCTQJ-FUHWJXTLSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423725527 1194789562 /nfs/dbraw/zinc/78/95/62/1194789562.db2.gz HRPAPPLZXGMHLS-MKXGPGLRSA-N 2 0 393.576 0.589 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@@H]1C[NH3+] ZINC000423726764 1194789716 /nfs/dbraw/zinc/78/97/16/1194789716.db2.gz ISEPNZVIDUCRFL-FUHWJXTLSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000423727605 1194789825 /nfs/dbraw/zinc/78/98/25/1194789825.db2.gz VJGGTASSAZVFIT-MRXNPFEDSA-N 2 0 391.516 0.081 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423732617 1194790579 /nfs/dbraw/zinc/79/05/79/1194790579.db2.gz MUFREOVQORTXLQ-AEFFLSMTSA-N 2 0 398.548 0.158 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[C@H]1C[NH3+] ZINC000423747014 1194791424 /nfs/dbraw/zinc/79/14/24/1194791424.db2.gz YTGKSFZARHLYJR-ROUUACIJSA-N 2 0 393.576 0.448 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[C@@H]1C[NH3+] ZINC000423747012 1194791548 /nfs/dbraw/zinc/79/15/48/1194791548.db2.gz YTGKSFZARHLYJR-QZTJIDSGSA-N 2 0 393.576 0.448 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423748543 1194791706 /nfs/dbraw/zinc/79/17/06/1194791706.db2.gz ZMUNEPBSKYPEFJ-IEBWSBKVSA-N 2 0 394.560 0.923 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423738928 1194792951 /nfs/dbraw/zinc/79/29/51/1194792951.db2.gz QTENAHNVFBACDR-IMBTUZDBSA-N 2 0 394.560 0.920 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1=O ZINC000473559023 1194796904 /nfs/dbraw/zinc/79/69/04/1194796904.db2.gz CYXFGDGVIFCJKK-AQNXPRMDSA-N 2 0 384.524 0.987 20 0 GCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000504566625 1194798681 /nfs/dbraw/zinc/79/86/81/1194798681.db2.gz UZCKCRFHFLAWDZ-GOSISDBHSA-N 2 0 391.516 0.194 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414780331 1194807497 /nfs/dbraw/zinc/80/74/97/1194807497.db2.gz SUNVZEOPGMAXKL-QGZVFWFLSA-N 2 0 390.484 0.676 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+](C)C)cc3)C[C@H]2[NH3+])cn1 ZINC000424450395 1194812718 /nfs/dbraw/zinc/81/27/18/1194812718.db2.gz XDNGSMCKSBDLSQ-ZWKOTPCHSA-N 2 0 384.484 0.416 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000424465400 1194813568 /nfs/dbraw/zinc/81/35/68/1194813568.db2.gz RSGMWFZVLUHZGW-GDAAHCPNSA-N 2 0 392.548 0.993 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C[C@H]2[NH3+])cn1 ZINC000424467800 1194813677 /nfs/dbraw/zinc/81/36/77/1194813677.db2.gz WMKITMYQAZWOPC-DLBZAZTESA-N 2 0 387.488 0.392 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)CC[NH2+]CC2 ZINC000424536881 1194820089 /nfs/dbraw/zinc/82/00/89/1194820089.db2.gz BCHGMYYZCANKGQ-INIZCTEOSA-N 2 0 379.549 0.119 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC(CCC[NH+](C)C)CC3)C[C@H]2[NH3+])cn1 ZINC000424535658 1194820097 /nfs/dbraw/zinc/82/00/97/1194820097.db2.gz ARVJNARIEYUOCB-ZWKOTPCHSA-N 2 0 390.532 0.254 20 0 GCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424520844 1194821392 /nfs/dbraw/zinc/82/13/92/1194821392.db2.gz LBKJITOLXNFQGA-RYQLBKOJSA-N 2 0 390.532 0.302 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000424521502 1194821748 /nfs/dbraw/zinc/82/17/48/1194821748.db2.gz LUMUWEKPXXKGDF-HYVNUMGLSA-N 2 0 376.505 0.054 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3([NH+](C)C)CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424524360 1194821983 /nfs/dbraw/zinc/82/19/83/1194821983.db2.gz PPUQOQVOWZMPNT-JKSUJKDBSA-N 2 0 376.505 0.054 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N1CC[NH+](C)CC1 ZINC000424558486 1194824946 /nfs/dbraw/zinc/82/49/46/1194824946.db2.gz WRHYYCOWCMOWRH-ROUUACIJSA-N 2 0 393.576 0.365 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000549969953 1194826405 /nfs/dbraw/zinc/82/64/05/1194826405.db2.gz BDSHLXQDSIWHHI-CALCHBBNSA-N 2 0 382.549 0.983 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000414810195 1194828929 /nfs/dbraw/zinc/82/89/29/1194828929.db2.gz HNNOOQKKFIGKQR-INIZCTEOSA-N 2 0 391.516 0.653 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCN1CCOCC1 ZINC000513895961 1194840169 /nfs/dbraw/zinc/84/01/69/1194840169.db2.gz POQFJZHJKVICOC-UHFFFAOYSA-N 2 0 376.505 0.225 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)CC1 ZINC000652730507 1194853235 /nfs/dbraw/zinc/85/32/35/1194853235.db2.gz DQFCBFHJAWTQSB-UHFFFAOYSA-N 2 0 393.576 0.591 20 0 GCADRP CC(C)Nc1nc(NCCO)nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425272576 1194885892 /nfs/dbraw/zinc/88/58/92/1194885892.db2.gz GTVCQFCPNIYHRN-ZWKOTPCHSA-N 2 0 397.527 0.651 20 0 GCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000514622942 1194888889 /nfs/dbraw/zinc/88/88/89/1194888889.db2.gz ZJAHYORHPYMAFO-FUHWJXTLSA-N 2 0 394.560 0.671 20 0 GCADRP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514667623 1194893127 /nfs/dbraw/zinc/89/31/27/1194893127.db2.gz CGFLZPYHTYLASV-ZGXWSNOMSA-N 2 0 382.508 0.645 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000514667695 1194893195 /nfs/dbraw/zinc/89/31/95/1194893195.db2.gz NURZDLQRUNQGLZ-CALCHBBNSA-N 2 0 380.533 0.546 20 0 GCADRP CCOc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414867095 1194893897 /nfs/dbraw/zinc/89/38/97/1194893897.db2.gz OBBCHBJSFNIKKT-MRXNPFEDSA-N 2 0 378.517 0.936 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000664473471 1194895954 /nfs/dbraw/zinc/89/59/54/1194895954.db2.gz RNZSJLZSNDBGJO-DLBZAZTESA-N 2 0 383.537 0.026 20 0 GCADRP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000435386917 1194926413 /nfs/dbraw/zinc/92/64/13/1194926413.db2.gz WEUJOEFNJZSISB-MRXNPFEDSA-N 2 0 392.500 0.497 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000283638452 1194926927 /nfs/dbraw/zinc/92/69/27/1194926927.db2.gz YLTBXFIGIOAFHS-UHFFFAOYSA-N 2 0 388.516 0.050 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)CC2)CC1 ZINC000425390501 1194941064 /nfs/dbraw/zinc/94/10/64/1194941064.db2.gz QTJIKUHMDMHTPD-RBUKOAKNSA-N 2 0 391.560 0.025 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425392477 1194941811 /nfs/dbraw/zinc/94/18/11/1194941811.db2.gz TUTQWSOXTUVWQJ-XYJFISCASA-N 2 0 378.517 0.251 20 0 GCADRP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000515166550 1194951601 /nfs/dbraw/zinc/95/16/01/1194951601.db2.gz UORBQYJJLICSII-RDJZCZTQSA-N 2 0 387.480 0.734 20 0 GCADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000515379828 1194971779 /nfs/dbraw/zinc/97/17/79/1194971779.db2.gz VRGANDPNXVJWCT-INIZCTEOSA-N 2 0 382.892 0.859 20 0 GCADRP CN1C(=O)CC[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000425435771 1194977805 /nfs/dbraw/zinc/97/78/05/1194977805.db2.gz ULTCMTNIDZNFGT-INIZCTEOSA-N 2 0 388.472 0.040 20 0 GCADRP CN1CC[C@H](CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000425434959 1194977901 /nfs/dbraw/zinc/97/79/01/1194977901.db2.gz QULVAWUGSUUJPZ-KRWDZBQOSA-N 2 0 388.516 0.761 20 0 GCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000436125505 1194986253 /nfs/dbraw/zinc/98/62/53/1194986253.db2.gz BEDVMRAVAUXLJW-IAGOWNOFSA-N 2 0 397.564 0.416 20 0 GCADRP C[NH+](C)CCC(=O)N1CC2(C1)SCC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001270061397 1194989433 /nfs/dbraw/zinc/98/94/33/1194989433.db2.gz NKEJYCFIJXUUEK-INIZCTEOSA-N 2 0 382.574 0.825 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000436256426 1194993640 /nfs/dbraw/zinc/99/36/40/1194993640.db2.gz BNDTWGFGRWORGH-HOTGVXAUSA-N 2 0 383.537 0.060 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000505802246 1194998665 /nfs/dbraw/zinc/99/86/65/1194998665.db2.gz OISAGSUAYWFQHW-MRXNPFEDSA-N 2 0 395.548 0.972 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)C1CC1 ZINC000414882909 1194999672 /nfs/dbraw/zinc/99/96/72/1194999672.db2.gz SNBSQHVIJALENS-UHFFFAOYSA-N 2 0 389.500 0.120 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000516167719 1195029212 /nfs/dbraw/zinc/02/92/12/1195029212.db2.gz RMPOVFUEMSEXAK-UHFFFAOYSA-N 2 0 377.489 0.200 20 0 GCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516199041 1195031130 /nfs/dbraw/zinc/03/11/30/1195031130.db2.gz KSUCAZDXMJTKHL-RBUKOAKNSA-N 2 0 392.544 0.833 20 0 GCADRP COCc1cnc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000287547768 1195033707 /nfs/dbraw/zinc/03/37/07/1195033707.db2.gz UHICLFCPVNQXML-UHFFFAOYSA-N 2 0 385.534 0.960 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000288255268 1195054462 /nfs/dbraw/zinc/05/44/62/1195054462.db2.gz TWBGPLMGFFEEBH-LJQANCHMSA-N 2 0 390.528 0.804 20 0 GCADRP COc1cccc([C@H]([NH3+])C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000638348414 1195077348 /nfs/dbraw/zinc/07/73/48/1195077348.db2.gz KIUIRGFCELFMEO-BZSNNMDCSA-N 2 0 387.484 0.442 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516750703 1195090020 /nfs/dbraw/zinc/09/00/20/1195090020.db2.gz FZRWOQFZCOAYFZ-MOPGFXCFSA-N 2 0 389.544 0.361 20 0 GCADRP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000516857943 1195105914 /nfs/dbraw/zinc/10/59/14/1195105914.db2.gz QYBIYCQFPSRXNC-KZNAEPCWSA-N 2 0 388.512 0.653 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000437478903 1195115176 /nfs/dbraw/zinc/11/51/76/1195115176.db2.gz ZOJKXGOHISJMFB-UHFFFAOYSA-N 2 0 379.505 1.395 20 0 GCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000549991858 1195115778 /nfs/dbraw/zinc/11/57/78/1195115778.db2.gz WKWVRPXWSKYSJC-IBGZPJMESA-N 2 0 388.512 0.604 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC000517058238 1195130629 /nfs/dbraw/zinc/13/06/29/1195130629.db2.gz FZELJKSZRKEJKK-ZACQAIPSSA-N 2 0 382.549 0.839 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000517250914 1195164519 /nfs/dbraw/zinc/16/45/19/1195164519.db2.gz WUULEQPGBOAFRV-LJQANCHMSA-N 2 0 395.592 0.757 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000517250457 1195164983 /nfs/dbraw/zinc/16/49/83/1195164983.db2.gz ZOWNHFCFKBGMRL-GOSISDBHSA-N 2 0 381.565 0.223 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCC1 ZINC000549995662 1195165436 /nfs/dbraw/zinc/16/54/36/1195165436.db2.gz YTVWVDRKGVWTSZ-INIZCTEOSA-N 2 0 380.533 0.594 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1 ZINC000549995664 1195165929 /nfs/dbraw/zinc/16/59/29/1195165929.db2.gz YTVWVDRKGVWTSZ-MRXNPFEDSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@H]1C ZINC000517526002 1195188425 /nfs/dbraw/zinc/18/84/25/1195188425.db2.gz CXBYRRFLIYISMG-SJORKVTESA-N 2 0 380.533 0.377 20 0 GCADRP Cc1nccn1CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000517536736 1195189245 /nfs/dbraw/zinc/18/92/45/1195189245.db2.gz OMZXTROUWMYFCD-KRWDZBQOSA-N 2 0 379.505 0.513 20 0 GCADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N1CCOCC1 ZINC000517566409 1195193867 /nfs/dbraw/zinc/19/38/67/1195193867.db2.gz OJXKTYBNHNESFF-GOSISDBHSA-N 2 0 397.564 0.585 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000517974515 1195232936 /nfs/dbraw/zinc/23/29/36/1195232936.db2.gz YNJNKHCPPVOAKU-OALUTQOASA-N 2 0 391.560 0.215 20 0 GCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000506320194 1195235027 /nfs/dbraw/zinc/23/50/27/1195235027.db2.gz FDXLAGGRHHOCPW-LJQANCHMSA-N 2 0 385.553 0.225 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000518140590 1195254296 /nfs/dbraw/zinc/25/42/96/1195254296.db2.gz CRDVOXFJTZKLPE-GJZGRUSLSA-N 2 0 393.454 0.186 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)Cc2ccccc2C1 ZINC000506422709 1195264406 /nfs/dbraw/zinc/26/44/06/1195264406.db2.gz PTDKLIJJWJYSMS-QGZVFWFLSA-N 2 0 381.480 0.530 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCC(C)CC1 ZINC000518247549 1195271346 /nfs/dbraw/zinc/27/13/46/1195271346.db2.gz FKUQRWRTKVMBQV-NZSAHSFTSA-N 2 0 394.560 0.717 20 0 GCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000518261496 1195273131 /nfs/dbraw/zinc/27/31/31/1195273131.db2.gz MMRKMLVQZZIDFW-GUDVDZBRSA-N 2 0 395.592 0.850 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000518408912 1195288900 /nfs/dbraw/zinc/28/89/00/1195288900.db2.gz XPEVXJKVHPSEGC-GOSISDBHSA-N 2 0 395.592 0.614 20 0 GCADRP [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000518531917 1195299870 /nfs/dbraw/zinc/29/98/70/1195299870.db2.gz HORFTAMCCWRYSA-OKZBNKHCSA-N 2 0 389.475 0.615 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000518578351 1195305195 /nfs/dbraw/zinc/30/51/95/1195305195.db2.gz GAFMOKSIQFYVKR-SFHVURJKSA-N 2 0 382.549 0.794 20 0 GCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC([N@H+](C)CCO)CC2)cc1F ZINC000518610046 1195307299 /nfs/dbraw/zinc/30/72/99/1195307299.db2.gz YNYYMUPJKLDRTE-UHFFFAOYSA-N 2 0 394.491 0.419 20 0 GCADRP Cc1cc(N2CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC2)nc(C)n1 ZINC000518606556 1195308920 /nfs/dbraw/zinc/30/89/20/1195308920.db2.gz VAZXBWYSMXLZLN-UHFFFAOYSA-N 2 0 376.505 0.589 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C[C@@H]1O ZINC000664749358 1195315027 /nfs/dbraw/zinc/31/50/27/1195315027.db2.gz FMLZMKOYBVLQBA-SQNIBIBYSA-N 2 0 378.542 0.920 20 0 GCADRP C[NH+]1CCC(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)(N2CCOCC2)CC1 ZINC000518724138 1195323382 /nfs/dbraw/zinc/32/33/82/1195323382.db2.gz ASIUFTWYTFQCBB-SFHVURJKSA-N 2 0 381.565 0.814 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000518737507 1195325218 /nfs/dbraw/zinc/32/52/18/1195325218.db2.gz IVXSLLIAXZSOKM-WMZOPIPTSA-N 2 0 376.501 0.460 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000518802354 1195335891 /nfs/dbraw/zinc/33/58/91/1195335891.db2.gz ALDBCYNZBUZALL-IEBWSBKVSA-N 2 0 391.560 0.214 20 0 GCADRP Cn1ccnc1[C@](O)(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(F)(F)F ZINC000729435073 1195350068 /nfs/dbraw/zinc/35/00/68/1195350068.db2.gz GEKRIWCPUNYREI-OAHLLOKOSA-N 2 0 379.427 0.512 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000519017537 1195360461 /nfs/dbraw/zinc/36/04/61/1195360461.db2.gz AYPXXJMNUWKRPO-KRWDZBQOSA-N 2 0 392.544 0.690 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426564790 1195380750 /nfs/dbraw/zinc/38/07/50/1195380750.db2.gz INSQZQDXIDACKH-MOPGFXCFSA-N 2 0 382.549 0.852 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000519201333 1195381751 /nfs/dbraw/zinc/38/17/51/1195381751.db2.gz KJYYJNUOMIIEOT-SFHVURJKSA-N 2 0 394.560 0.842 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426562318 1195381980 /nfs/dbraw/zinc/38/19/80/1195381980.db2.gz RJZVXBNWNKPDTL-ROUUACIJSA-N 2 0 382.549 0.899 20 0 GCADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CC[C@H](C(=O)NCCC[NH+]2CCCC2)O1 ZINC000426614875 1195395495 /nfs/dbraw/zinc/39/54/95/1195395495.db2.gz HRMXXQWCRKQIIL-QZTJIDSGSA-N 2 0 380.533 0.738 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)CC1 ZINC000519364409 1195398470 /nfs/dbraw/zinc/39/84/70/1195398470.db2.gz VJDYTWLZJSVTIV-UHFFFAOYSA-N 2 0 379.549 0.119 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1(C)C ZINC000664815652 1195428288 /nfs/dbraw/zinc/42/82/88/1195428288.db2.gz RTHAUKNYSMQIEC-SFHVURJKSA-N 2 0 381.565 0.909 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000550093752 1195433425 /nfs/dbraw/zinc/43/34/25/1195433425.db2.gz FGCARBVNKZDYFU-KZNAEPCWSA-N 2 0 382.549 0.696 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000550094913 1195433634 /nfs/dbraw/zinc/43/36/34/1195433634.db2.gz LDESDWZVUARYLL-QGZVFWFLSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000550093753 1195433784 /nfs/dbraw/zinc/43/37/84/1195433784.db2.gz FGCARBVNKZDYFU-OKZBNKHCSA-N 2 0 382.549 0.696 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000550096141 1195435419 /nfs/dbraw/zinc/43/54/19/1195435419.db2.gz VCDWZOFZLYGICB-IRXDYDNUSA-N 2 0 377.489 0.347 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000550103744 1195436657 /nfs/dbraw/zinc/43/66/57/1195436657.db2.gz SLDIZWJDEODHFY-UHFFFAOYSA-N 2 0 381.565 0.367 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550133415 1195445540 /nfs/dbraw/zinc/44/55/40/1195445540.db2.gz NZKSCJYAAQLKKV-HOTGVXAUSA-N 2 0 382.549 0.981 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000550137131 1195446475 /nfs/dbraw/zinc/44/64/75/1195446475.db2.gz YTPNEMGISFPQCC-UHFFFAOYSA-N 2 0 394.560 0.795 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000507144830 1195497426 /nfs/dbraw/zinc/49/74/26/1195497426.db2.gz SJDHMSYZJLRGAH-UHFFFAOYSA-N 2 0 398.467 0.777 20 0 GCADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[C@@H](C(=O)N(C)CC[NH+]2CCCC2)O1 ZINC000427067525 1195503372 /nfs/dbraw/zinc/50/33/72/1195503372.db2.gz PRQYJJPSQGSVIX-ROUUACIJSA-N 2 0 380.533 0.642 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)n2)CC1 ZINC000427102555 1195507119 /nfs/dbraw/zinc/50/71/19/1195507119.db2.gz GZLRNRQIRRSIIY-INIZCTEOSA-N 2 0 388.516 1.033 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)n2)CC1 ZINC000427102558 1195507158 /nfs/dbraw/zinc/50/71/58/1195507158.db2.gz GZLRNRQIRRSIIY-MRXNPFEDSA-N 2 0 388.516 1.033 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000507371935 1195514790 /nfs/dbraw/zinc/51/47/90/1195514790.db2.gz OEYGLDRZJMRTJP-UHFFFAOYSA-N 2 0 389.500 0.504 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000519609668 1195532725 /nfs/dbraw/zinc/53/27/25/1195532725.db2.gz IOUXNRWEZSTRSO-WMZOPIPTSA-N 2 0 389.500 0.123 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)n2)CC1 ZINC000427524886 1195548637 /nfs/dbraw/zinc/54/86/37/1195548637.db2.gz MVEWPPLLIMYRSK-WBVHZDCISA-N 2 0 388.516 1.031 20 0 GCADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894877385 1195556475 /nfs/dbraw/zinc/55/64/75/1195556475.db2.gz WEOWKXHPGQXPBB-HNNXBMFYSA-N 2 0 392.424 0.709 20 0 GCADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894877386 1195556630 /nfs/dbraw/zinc/55/66/30/1195556630.db2.gz WEOWKXHPGQXPBB-OAHLLOKOSA-N 2 0 392.424 0.709 20 0 GCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000519704559 1195563881 /nfs/dbraw/zinc/56/38/81/1195563881.db2.gz DXMRXOHGCRNAKT-IRXDYDNUSA-N 2 0 380.533 0.452 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000415468710 1195567420 /nfs/dbraw/zinc/56/74/20/1195567420.db2.gz WRIDMMIYKZPXSG-GOSISDBHSA-N 2 0 375.517 0.862 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000416979674 1195618119 /nfs/dbraw/zinc/61/81/19/1195618119.db2.gz XEZJLSCIFYMIJF-QGZVFWFLSA-N 2 0 391.516 0.624 20 0 GCADRP CC(C)Nc1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(NCCO)[nH+]1 ZINC000550345076 1195638855 /nfs/dbraw/zinc/63/88/55/1195638855.db2.gz FREKJTFSAPIQOE-CQSZACIVSA-N 2 0 375.477 0.204 20 0 GCADRP CN1CCN(c2ncc(C[N@@H+]3CC[C@](C(N)=O)(c4ccccc4)C3)cn2)CC1 ZINC000895001571 1195646003 /nfs/dbraw/zinc/64/60/03/1195646003.db2.gz VACCIBKHEVKJCO-OAQYLSRUSA-N 2 0 380.496 0.857 20 0 GCADRP CN1CCN(c2ncc(C[N@@H+]3CC[C@@](C(N)=O)(c4ccccc4)C3)cn2)CC1 ZINC000895001568 1195646039 /nfs/dbraw/zinc/64/60/39/1195646039.db2.gz VACCIBKHEVKJCO-NRFANRHFSA-N 2 0 380.496 0.857 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000550373180 1195646388 /nfs/dbraw/zinc/64/63/88/1195646388.db2.gz ZQZUEHUMJICYIE-RTBURBONSA-N 2 0 394.560 0.860 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)N1CC[NH+](C)CC1 ZINC000550380843 1195648495 /nfs/dbraw/zinc/64/84/95/1195648495.db2.gz BCISTMWMUYWCLI-RTBURBONSA-N 2 0 395.592 0.611 20 0 GCADRP C[NH+]1CC[C@@H]2CN(c3nc(C(N)=O)cc(N4CC[C@H]5[C@H](CC[N@H+]5C)C4)n3)CC[C@H]21 ZINC000895020889 1195650668 /nfs/dbraw/zinc/65/06/68/1195650668.db2.gz CZLCGHPZDCSURS-XYVMCAHJSA-N 2 0 399.543 0.636 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000550383560 1195651423 /nfs/dbraw/zinc/65/14/23/1195651423.db2.gz MIVOLAJOZNYYEU-RTBURBONSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C2CC2)O1)[NH+](C)C1CC1 ZINC000189067897 1195741795 /nfs/dbraw/zinc/74/17/95/1195741795.db2.gz KLEDDGPXOFRLMM-DTDBQYNISA-N 2 0 380.533 0.732 20 0 GCADRP CC[C@@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000458982096 1195743399 /nfs/dbraw/zinc/74/33/99/1195743399.db2.gz PQCPEUNWBGKVGZ-HOTGVXAUSA-N 2 0 391.582 0.372 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000536356044 1195744535 /nfs/dbraw/zinc/74/45/35/1195744535.db2.gz QTVDYFHVINKMPS-IPMKNSEASA-N 2 0 375.517 0.167 20 0 GCADRP C[C@H]1C[NH+](CC(C)(C)O)CCN1CCCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000189455692 1195747906 /nfs/dbraw/zinc/74/79/06/1195747906.db2.gz WWUUCSJPTAIMHP-OALUTQOASA-N 2 0 384.609 0.931 20 0 GCADRP C[C@@H]1CN(CCCN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000189930125 1195754809 /nfs/dbraw/zinc/75/48/09/1195754809.db2.gz PHNPAKQTXTZOFP-KDURUIRLSA-N 2 0 384.609 0.931 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520514653 1195778183 /nfs/dbraw/zinc/77/81/83/1195778183.db2.gz SVHGWBQFKSJQQR-SQNIBIBYSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000474008109 1195827681 /nfs/dbraw/zinc/82/76/81/1195827681.db2.gz JYPATNUBRUFEFX-QGZVFWFLSA-N 2 0 397.564 0.464 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000428033009 1195904657 /nfs/dbraw/zinc/90/46/57/1195904657.db2.gz LWFUYZXXRFAIHS-QZTJIDSGSA-N 2 0 380.533 0.689 20 0 GCADRP Cc1cccc(N2CC[NH+](CCC(=O)N(C)CC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000428201948 1195920533 /nfs/dbraw/zinc/92/05/33/1195920533.db2.gz TUOOINZRFGQZLD-UHFFFAOYSA-N 2 0 387.528 0.397 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)c2)CC1 ZINC000441989491 1195939785 /nfs/dbraw/zinc/93/97/85/1195939785.db2.gz WFYSWIZQVMAYQL-SFHVURJKSA-N 2 0 385.512 0.725 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000550455842 1195963154 /nfs/dbraw/zinc/96/31/54/1195963154.db2.gz OJDUXXOZNODXIP-LJQANCHMSA-N 2 0 394.560 0.936 20 0 GCADRP CC(C)[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000442366088 1195981444 /nfs/dbraw/zinc/98/14/44/1195981444.db2.gz AIHRBCHEQHAIOA-GOSISDBHSA-N 2 0 382.597 0.584 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000550463394 1196008837 /nfs/dbraw/zinc/00/88/37/1196008837.db2.gz ACMKOCLUPHMHQV-UHFFFAOYSA-N 2 0 394.560 0.795 20 0 GCADRP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065486 1196017549 /nfs/dbraw/zinc/01/75/49/1196017549.db2.gz ZXBHPTJBYJFCOA-ZIAGYGMSSA-N 2 0 380.514 0.672 20 0 GCADRP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061647 1196017591 /nfs/dbraw/zinc/01/75/91/1196017591.db2.gz RWZLDYLCRYJABO-RRFJBIMHSA-N 2 0 382.530 0.961 20 0 GCADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000443061732 1196017685 /nfs/dbraw/zinc/01/76/85/1196017685.db2.gz SLWNJUMFZJGCJF-GOSISDBHSA-N 2 0 388.512 0.836 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000521849513 1196020070 /nfs/dbraw/zinc/02/00/70/1196020070.db2.gz KWSCCJNPAVHOOZ-UHFFFAOYSA-N 2 0 397.564 0.729 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000469764982 1196022427 /nfs/dbraw/zinc/02/24/27/1196022427.db2.gz QRBPNUWZLHTLSW-NVXWUHKLSA-N 2 0 387.550 0.425 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[N@@H+]1C1CC1 ZINC000521937704 1196027150 /nfs/dbraw/zinc/02/71/50/1196027150.db2.gz UVIDQUAAPVAPPV-SIUPPRGNSA-N 2 0 378.517 0.222 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000522014941 1196034159 /nfs/dbraw/zinc/03/41/59/1196034159.db2.gz RSPHNEXLOGGOED-LULLPPNCSA-N 2 0 385.512 0.850 20 0 GCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000522014964 1196034856 /nfs/dbraw/zinc/03/48/56/1196034856.db2.gz RTIORQQKDLOORW-IRXDYDNUSA-N 2 0 387.484 0.237 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000367052621 1196037278 /nfs/dbraw/zinc/03/72/78/1196037278.db2.gz LMVPSUJDCKSGFV-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@]12CCC(=O)N1CCS2 ZINC000522118690 1196045279 /nfs/dbraw/zinc/04/52/79/1196045279.db2.gz YQLYAICZSAGYAI-IBGZPJMESA-N 2 0 389.525 0.775 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@@H]2CC)CC[NH+]1C ZINC001087579093 1196050190 /nfs/dbraw/zinc/05/01/90/1196050190.db2.gz HPXMOTUOHURFQZ-MWDXBVQZSA-N 2 0 378.517 0.835 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000550481606 1196053779 /nfs/dbraw/zinc/05/37/79/1196053779.db2.gz TUCOTJHOLXIZEP-GOSISDBHSA-N 2 0 393.576 0.319 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000550515893 1196071081 /nfs/dbraw/zinc/07/10/81/1196071081.db2.gz YYEAPULIWWJOLJ-UHFFFAOYSA-N 2 0 394.491 0.601 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000522288847 1196072918 /nfs/dbraw/zinc/07/29/18/1196072918.db2.gz LQOUDNHCKIRCCP-HNNXBMFYSA-N 2 0 399.561 0.753 20 0 GCADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000895333304 1196083191 /nfs/dbraw/zinc/08/31/91/1196083191.db2.gz DFUQQLHEGOBKDA-MJGOQNOKSA-N 2 0 379.549 0.376 20 0 GCADRP C[NH+]1CCC2(CCN2C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000895335468 1196083538 /nfs/dbraw/zinc/08/35/38/1196083538.db2.gz YIMBRBRWEQZXRA-UHFFFAOYSA-N 2 0 379.549 0.663 20 0 GCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@@H]2C1 ZINC001087969762 1196140259 /nfs/dbraw/zinc/14/02/59/1196140259.db2.gz MTKKMJCIPRTXRV-ZJPYXAASSA-N 2 0 385.512 0.680 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4nnc5n4CCOC5)C[C@H]3C2)CC[N@@H+]1C ZINC001087971876 1196142738 /nfs/dbraw/zinc/14/27/38/1196142738.db2.gz XVABRVCCZZFHRQ-WCXIOVBPSA-N 2 0 388.516 0.429 20 0 GCADRP CCCCn1c(N)c(N(CC)C(=O)CN2CC[C@H]([C@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828683 1196144506 /nfs/dbraw/zinc/14/45/06/1196144506.db2.gz XMMNPGAVEHLUFE-STQMWFEESA-N 2 0 380.493 0.353 20 0 GCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896468165 1196149696 /nfs/dbraw/zinc/14/96/96/1196149696.db2.gz NBKQBZWWTDMKJL-GUDVDZBRSA-N 2 0 379.549 0.661 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000474788002 1196150901 /nfs/dbraw/zinc/15/09/01/1196150901.db2.gz CWUUHNQGVVPDHC-IBGZPJMESA-N 2 0 388.560 0.736 20 0 GCADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000329140084 1196167978 /nfs/dbraw/zinc/16/79/78/1196167978.db2.gz JFFQGPQXSNTAKG-SFHVURJKSA-N 2 0 381.517 0.316 20 0 GCADRP C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000665461379 1196182022 /nfs/dbraw/zinc/18/20/22/1196182022.db2.gz MKKWWYMENJWUHV-CALCHBBNSA-N 2 0 382.549 0.974 20 0 GCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896624468 1196183896 /nfs/dbraw/zinc/18/38/96/1196183896.db2.gz OMTXEPZVIQGHTM-LJQANCHMSA-N 2 0 392.544 0.548 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896625586 1196183937 /nfs/dbraw/zinc/18/39/37/1196183937.db2.gz ABNXVIGZBZJDJA-LJQANCHMSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461500 1196187675 /nfs/dbraw/zinc/18/76/75/1196187675.db2.gz PAIMYLHQBNVFFA-DLBZAZTESA-N 2 0 382.549 0.974 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896876909 1196230882 /nfs/dbraw/zinc/23/08/82/1196230882.db2.gz DKMGLBKRYUIFGW-KRWDZBQOSA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896877319 1196233441 /nfs/dbraw/zinc/23/34/41/1196233441.db2.gz IDDYLDMOHIZVPA-UHFFFAOYSA-N 2 0 394.560 0.840 20 0 GCADRP COc1nc(N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)nc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)n1 ZINC000896914724 1196368529 /nfs/dbraw/zinc/36/85/29/1196368529.db2.gz QFRXVHBVSODDMO-IQGAEYHTSA-N 2 0 387.532 0.656 20 0 GCADRP CCN(CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000665594324 1196385127 /nfs/dbraw/zinc/38/51/27/1196385127.db2.gz YEYYSYBQABDWRD-QZTJIDSGSA-N 2 0 382.549 0.936 20 0 GCADRP Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c12 ZINC000104533231 1196385381 /nfs/dbraw/zinc/38/53/81/1196385381.db2.gz MAGARWZKHZWBMM-UHFFFAOYSA-N 2 0 390.532 0.763 20 0 GCADRP C[C@@H](NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000665719743 1196449413 /nfs/dbraw/zinc/44/94/13/1196449413.db2.gz RHTIQNJMPCDZIO-QGZVFWFLSA-N 2 0 381.565 0.813 20 0 GCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282009093 1196473927 /nfs/dbraw/zinc/47/39/27/1196473927.db2.gz NUZSVRYLDUXTJM-UHFFFAOYSA-N 2 0 375.517 0.829 20 0 GCADRP CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000445015123 1196536435 /nfs/dbraw/zinc/53/64/35/1196536435.db2.gz BWFYGINERMATFU-HNNXBMFYSA-N 2 0 389.500 0.356 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135646 1196577363 /nfs/dbraw/zinc/57/73/63/1196577363.db2.gz MNLITQVWEHAVKL-CEXWTWQISA-N 2 0 381.565 0.907 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135648 1196577606 /nfs/dbraw/zinc/57/76/06/1196577606.db2.gz MNLITQVWEHAVKL-OTWHNJEPSA-N 2 0 381.565 0.907 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446038317 1196609139 /nfs/dbraw/zinc/60/91/39/1196609139.db2.gz FLXXCWABRZOUGV-MRXNPFEDSA-N 2 0 375.517 0.481 20 0 GCADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000446363583 1196637874 /nfs/dbraw/zinc/63/78/74/1196637874.db2.gz NIAQBLCNOLHJKR-WRWLIDTKSA-N 2 0 378.517 0.286 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000524936464 1196639538 /nfs/dbraw/zinc/63/95/38/1196639538.db2.gz JYLGWNPAHULDQK-UHFFFAOYSA-N 2 0 378.521 0.553 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000418110596 1196653546 /nfs/dbraw/zinc/65/35/46/1196653546.db2.gz FKCJOKHHPLVUKW-GJZGRUSLSA-N 2 0 395.470 0.623 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)C1 ZINC000525280697 1196662980 /nfs/dbraw/zinc/66/29/80/1196662980.db2.gz USGOOVMZSQIIJH-OAHLLOKOSA-N 2 0 378.473 0.532 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000525882623 1196720380 /nfs/dbraw/zinc/72/03/80/1196720380.db2.gz RLONEKIULCQGOT-UHFFFAOYSA-N 2 0 386.500 0.822 20 0 GCADRP COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525882368 1196720516 /nfs/dbraw/zinc/72/05/16/1196720516.db2.gz LHQJUZXNKAEZKD-UHFFFAOYSA-N 2 0 393.488 0.544 20 0 GCADRP CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525882856 1196720841 /nfs/dbraw/zinc/72/08/41/1196720841.db2.gz FUEYHQITAMHLTM-UHFFFAOYSA-N 2 0 391.516 0.635 20 0 GCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000447599996 1196732499 /nfs/dbraw/zinc/73/24/99/1196732499.db2.gz LIAJUDQEUGNYTK-INIZCTEOSA-N 2 0 385.530 0.936 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000526131694 1196744188 /nfs/dbraw/zinc/74/41/88/1196744188.db2.gz GYCMJBGDXARZSR-UHFFFAOYSA-N 2 0 389.500 0.925 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H](CO)[C@H]1CCCO1 ZINC000447973052 1196763135 /nfs/dbraw/zinc/76/31/35/1196763135.db2.gz BEPMHEDGBPEWDO-QZTJIDSGSA-N 2 0 377.489 0.433 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000527329619 1196780035 /nfs/dbraw/zinc/78/00/35/1196780035.db2.gz HFRYQLZTZYQFFB-UHFFFAOYSA-N 2 0 389.544 0.873 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000527374035 1196784215 /nfs/dbraw/zinc/78/42/15/1196784215.db2.gz DQWAGTTUZQUPQE-UHFFFAOYSA-N 2 0 375.473 0.462 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1N1CCCCC1 ZINC000527373740 1196784246 /nfs/dbraw/zinc/78/42/46/1196784246.db2.gz CXDBZTNIVQHIML-UHFFFAOYSA-N 2 0 390.532 0.962 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000527374267 1196784251 /nfs/dbraw/zinc/78/42/51/1196784251.db2.gz BWKZSWKEPDBQDN-UHFFFAOYSA-N 2 0 389.500 0.704 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000527376475 1196784762 /nfs/dbraw/zinc/78/47/62/1196784762.db2.gz IGNDRDHKYINQHM-UHFFFAOYSA-N 2 0 376.461 0.700 20 0 GCADRP CN(C)S(=O)(=O)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527376782 1196784885 /nfs/dbraw/zinc/78/48/85/1196784885.db2.gz HWVAJFJSQZDOKZ-UHFFFAOYSA-N 2 0 385.534 0.894 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448486554 1196806884 /nfs/dbraw/zinc/80/68/84/1196806884.db2.gz WOXALEBGATVDIV-IAGOWNOFSA-N 2 0 392.548 1.258 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)n1 ZINC000448527494 1196812927 /nfs/dbraw/zinc/81/29/27/1196812927.db2.gz IZLLCTNGWWZENP-UHFFFAOYSA-N 2 0 378.521 1.154 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1(C)C ZINC000527905014 1196823386 /nfs/dbraw/zinc/82/33/86/1196823386.db2.gz FVFCUBGPAZMMTP-UHFFFAOYSA-N 2 0 381.565 0.909 20 0 GCADRP OC[C@@H]1C[NH+](Cc2cc(Cl)cc(C[NH+]3C[C@@H](CO)[C@H](CO)C3)c2)C[C@H]1CO ZINC000528599653 1196869547 /nfs/dbraw/zinc/86/95/47/1196869547.db2.gz RIDLGJWRJXQJMI-VJANTYMQSA-N 2 0 398.931 0.405 20 0 GCADRP C[N@@H+]1C[C@H](C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625315479 1196908957 /nfs/dbraw/zinc/90/89/57/1196908957.db2.gz ONPXJULWQGKLPJ-NJYVYQBISA-N 2 0 386.540 0.807 20 0 GCADRP COCC[N@H+](C)CCNC(=O)c1nnn(-c2cccc3c2CC[NH+](C)C3)c1C ZINC000371586600 1196910032 /nfs/dbraw/zinc/91/00/32/1196910032.db2.gz VZJLRZQWHSDIRQ-UHFFFAOYSA-N 2 0 386.500 0.872 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)C1 ZINC000529305602 1196912824 /nfs/dbraw/zinc/91/28/24/1196912824.db2.gz IYKCZCDYGOHUGX-ZWKOTPCHSA-N 2 0 389.500 0.172 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000371663070 1196913632 /nfs/dbraw/zinc/91/36/32/1196913632.db2.gz FOFCZJWVYKFILD-PMACEKPBSA-N 2 0 394.608 0.680 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)CC1 ZINC000375241759 1196928559 /nfs/dbraw/zinc/92/85/59/1196928559.db2.gz UNAYBFFFSFNOQJ-PKOBYXMFSA-N 2 0 380.533 0.578 20 0 GCADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000451087838 1196969512 /nfs/dbraw/zinc/96/95/12/1196969512.db2.gz VLYHZZKTPWTFFJ-AHRSYUTCSA-N 2 0 382.593 0.681 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000530641798 1197003324 /nfs/dbraw/zinc/00/33/24/1197003324.db2.gz NHFQOVNBZKEOBI-UHFFFAOYSA-N 2 0 388.509 0.446 20 0 GCADRP COC(=O)C[C@@H](C)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530835463 1197019966 /nfs/dbraw/zinc/01/99/66/1197019966.db2.gz VKPDRMDWDVAHIJ-UTKZUKDTSA-N 2 0 389.496 0.719 20 0 GCADRP CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000530880698 1197022714 /nfs/dbraw/zinc/02/27/14/1197022714.db2.gz OZAMRBXPMLVJDR-UHFFFAOYSA-N 2 0 398.529 0.119 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000451988676 1197030005 /nfs/dbraw/zinc/03/00/05/1197030005.db2.gz PHMNAYVZTBAQIN-KRWDZBQOSA-N 2 0 381.565 0.509 20 0 GCADRP Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531190499 1197051953 /nfs/dbraw/zinc/05/19/53/1197051953.db2.gz AQKCTBKPLCNWGL-OAHLLOKOSA-N 2 0 376.505 0.807 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000453713330 1197125374 /nfs/dbraw/zinc/12/53/74/1197125374.db2.gz UOJHELUOUDQNNB-MRXNPFEDSA-N 2 0 387.488 0.542 20 0 GCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532334100 1197145482 /nfs/dbraw/zinc/14/54/82/1197145482.db2.gz WBZXZXYZFXCNPS-PURYLZLUSA-N 2 0 378.517 0.201 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000172344317 1197159733 /nfs/dbraw/zinc/15/97/33/1197159733.db2.gz AAARSLLYRXPXBE-SJORKVTESA-N 2 0 380.533 0.282 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC000453920051 1197172655 /nfs/dbraw/zinc/17/26/55/1197172655.db2.gz FNBMOQSKBPTFRZ-AZUAARDMSA-N 2 0 399.539 0.925 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418329159 1197173902 /nfs/dbraw/zinc/17/39/02/1197173902.db2.gz ATLAZSNNMZNCHK-MSOLQXFVSA-N 2 0 375.517 0.574 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000174213074 1197179735 /nfs/dbraw/zinc/17/97/35/1197179735.db2.gz PHWAUFQHDYKJHC-GUDVDZBRSA-N 2 0 392.544 0.500 20 0 GCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000177512071 1197190461 /nfs/dbraw/zinc/19/04/61/1197190461.db2.gz ZGOVDHMOKTZWRK-HDICACEKSA-N 2 0 394.560 0.888 20 0 GCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000180083211 1197200239 /nfs/dbraw/zinc/20/02/39/1197200239.db2.gz NTGUVGNFRHHWMW-KRWDZBQOSA-N 2 0 386.500 0.951 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000186121631 1197226844 /nfs/dbraw/zinc/22/68/44/1197226844.db2.gz SSRVHSDLWLRGDE-SFHVURJKSA-N 2 0 381.565 0.766 20 0 GCADRP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCC(=O)N1CC[NH2+]CC1 ZINC000508644947 1197236934 /nfs/dbraw/zinc/23/69/34/1197236934.db2.gz HYDOXJBJZXPXOQ-UHFFFAOYSA-N 2 0 383.514 0.613 20 0 GCADRP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000988301523 1197304069 /nfs/dbraw/zinc/30/40/69/1197304069.db2.gz FISCLDBTBOFGAY-VQHPVUNQSA-N 2 0 390.532 0.504 20 0 GCADRP COCC[NH+]1CCC(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000171194861 1197315128 /nfs/dbraw/zinc/31/51/28/1197315128.db2.gz NOEOYFFBQKFGKZ-UHFFFAOYSA-N 2 0 390.532 0.743 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000105323498 1197326414 /nfs/dbraw/zinc/32/64/14/1197326414.db2.gz RIXJFZBYJPEXRH-MJGOQNOKSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H]1CC[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000897442546 1197332052 /nfs/dbraw/zinc/33/20/52/1197332052.db2.gz XRKNTEVBUFMOKD-HKUYNNGSSA-N 2 0 389.544 0.917 20 0 GCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000520773688 1197333095 /nfs/dbraw/zinc/33/30/95/1197333095.db2.gz WMOWEDPGQDZMTE-GOSISDBHSA-N 2 0 375.517 0.244 20 0 GCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3C[NH+](C4CC4)C[C@H]3C)CC2)C1 ZINC000332922914 1197347053 /nfs/dbraw/zinc/34/70/53/1197347053.db2.gz DZMMBFZDWLEECZ-YZGWKJHDSA-N 2 0 393.576 0.906 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418836563 1197361970 /nfs/dbraw/zinc/36/19/70/1197361970.db2.gz RMJJPYJKUIUPGI-GOEBONIOSA-N 2 0 392.500 0.539 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000418840559 1197367439 /nfs/dbraw/zinc/36/74/39/1197367439.db2.gz FMDKCWPEQNJREK-HKUYNNGSSA-N 2 0 387.528 0.116 20 0 GCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000418847126 1197373502 /nfs/dbraw/zinc/37/35/02/1197373502.db2.gz UTYIKNZAGXZXHS-INIZCTEOSA-N 2 0 395.548 0.212 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccn1 ZINC000359898958 1197379225 /nfs/dbraw/zinc/37/92/25/1197379225.db2.gz NOCYPYGGODRZEU-KRWDZBQOSA-N 2 0 389.500 0.576 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000193619954 1197396935 /nfs/dbraw/zinc/39/69/35/1197396935.db2.gz PRJJQPIYFKXEMG-ZIAGYGMSSA-N 2 0 378.439 0.928 20 0 GCADRP OC(C[NH+]1CCC[C@H](Cn2ccnn2)C1)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000194731668 1197399510 /nfs/dbraw/zinc/39/95/10/1197399510.db2.gz PSCFWVKWTJFNSP-ROUUACIJSA-N 2 0 388.520 0.355 20 0 GCADRP C[C@H](C[NH+]1CC[C@@H](CN2CCOCC2)C1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000532973459 1197424960 /nfs/dbraw/zinc/42/49/60/1197424960.db2.gz DMBYRGPANFGQMX-KOUNCHBCSA-N 2 0 394.604 0.931 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666753722 1197431752 /nfs/dbraw/zinc/43/17/52/1197431752.db2.gz DYALRAYBCYUQQI-UHFFFAOYSA-N 2 0 375.473 0.096 20 0 GCADRP CN1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000246038204 1197443580 /nfs/dbraw/zinc/44/35/80/1197443580.db2.gz BBLGYWZRVACYJM-RBUKOAKNSA-N 2 0 387.528 0.773 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000246371409 1197466293 /nfs/dbraw/zinc/46/62/93/1197466293.db2.gz QHEUWLYIUUYCCV-DLBZAZTESA-N 2 0 377.537 0.959 20 0 GCADRP CCC[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001212008148 1197473982 /nfs/dbraw/zinc/47/39/82/1197473982.db2.gz WFEHOXFYTDAGJB-HNNXBMFYSA-N 2 0 388.472 0.831 20 0 GCADRP O=C1NC[C@H]2CN(Cc3ccc(CN4CCN5C(=O)NC[C@H]5C4)cc3)CCN12 ZINC000247071620 1197475061 /nfs/dbraw/zinc/47/50/61/1197475061.db2.gz PTJHOVAKPTXJEG-ROUUACIJSA-N 2 0 384.484 0.105 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(COC)CC[NH2+]CC2)CC1=O ZINC000261724284 1197512662 /nfs/dbraw/zinc/51/26/62/1197512662.db2.gz LYZWRHQUNZUXCK-SJORKVTESA-N 2 0 380.533 0.452 20 0 GCADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261755918 1197513550 /nfs/dbraw/zinc/51/35/50/1197513550.db2.gz FPUCLEMEQGWPKY-ILXRZTDVSA-N 2 0 381.521 0.579 20 0 GCADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261820266 1197515596 /nfs/dbraw/zinc/51/55/96/1197515596.db2.gz KHDAKGPLMDOVSB-GVDBMIGSSA-N 2 0 386.562 0.238 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643487666 1197532979 /nfs/dbraw/zinc/53/29/79/1197532979.db2.gz XRACCEYRIYKCCE-YJBOKZPZSA-N 2 0 376.476 0.926 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643487664 1197533051 /nfs/dbraw/zinc/53/30/51/1197533051.db2.gz XRACCEYRIYKCCE-MAUKXSAKSA-N 2 0 376.476 0.926 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CCO1 ZINC000643487631 1197533151 /nfs/dbraw/zinc/53/31/51/1197533151.db2.gz UZAZXEHKBAMHHG-YOEHRIQHSA-N 2 0 380.464 0.291 20 0 GCADRP COC(=O)[C@]1(NC[C@@H](O)CN2CCOCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611795872 1197542142 /nfs/dbraw/zinc/54/21/42/1197542142.db2.gz MNLJPVVVWZHYPL-CTNGQTDRSA-N 2 0 391.512 0.477 20 0 GCADRP Cc1cc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000672001945 1198997158 /nfs/dbraw/zinc/99/71/58/1198997158.db2.gz ZEYURQYMCLRBKF-UHFFFAOYSA-N 2 0 397.483 0.125 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC[NH+](C)CC1 ZINC000672008418 1199000139 /nfs/dbraw/zinc/00/01/39/1199000139.db2.gz RQUXPUZMSNULRK-INIZCTEOSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672010979 1199002422 /nfs/dbraw/zinc/00/24/22/1199002422.db2.gz PTDNIILFCCCPOR-INIZCTEOSA-N 2 0 381.565 0.317 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000672007784 1199002914 /nfs/dbraw/zinc/00/29/14/1199002914.db2.gz DUELAZIDDDQJHV-KFKAGJAMSA-N 2 0 394.560 0.717 20 0 GCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000542745770 1199020996 /nfs/dbraw/zinc/02/09/96/1199020996.db2.gz ZKPNZNWRZGAJBJ-SFHVURJKSA-N 2 0 383.581 0.748 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671365677 1199056794 /nfs/dbraw/zinc/05/67/94/1199056794.db2.gz XVRLHTMCCOFQKZ-AEFFLSMTSA-N 2 0 381.565 0.460 20 0 GCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672098390 1199089115 /nfs/dbraw/zinc/08/91/15/1199089115.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 2 0 381.565 0.460 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000627302303 1199116433 /nfs/dbraw/zinc/11/64/33/1199116433.db2.gz HIKNANVNKRAPEQ-ZIAGYGMSSA-N 2 0 378.439 0.820 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000465880796 1199148608 /nfs/dbraw/zinc/14/86/08/1199148608.db2.gz WXQTXNXRWYUGOU-SFHVURJKSA-N 2 0 397.564 0.681 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672204343 1199159274 /nfs/dbraw/zinc/15/92/74/1199159274.db2.gz LPDQRVYMKYARFI-MSOLQXFVSA-N 2 0 379.549 0.215 20 0 GCADRP CN1CCN(CC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000672213517 1199161192 /nfs/dbraw/zinc/16/11/92/1199161192.db2.gz FNIHWWGEIMTRAL-OAQYLSRUSA-N 2 0 385.556 0.653 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465921767 1199179705 /nfs/dbraw/zinc/17/97/05/1199179705.db2.gz AECDXLGCWFTROO-LJQANCHMSA-N 2 0 383.581 0.892 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672305374 1199197837 /nfs/dbraw/zinc/19/78/37/1199197837.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 2 0 391.560 0.214 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000672306658 1199200274 /nfs/dbraw/zinc/20/02/74/1199200274.db2.gz SHECPUYYLLRTNU-BHIYHBOVSA-N 2 0 391.560 0.071 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000672306659 1199200614 /nfs/dbraw/zinc/20/06/14/1199200614.db2.gz SHECPUYYLLRTNU-NEWSRXKRSA-N 2 0 391.560 0.071 20 0 GCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@H]2C1 ZINC000672313431 1199204965 /nfs/dbraw/zinc/20/49/65/1199204965.db2.gz BLBUMUIGBODMKI-IRXDYDNUSA-N 2 0 378.517 0.300 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330369 1199210210 /nfs/dbraw/zinc/21/02/10/1199210210.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 3 0 379.549 0.262 20 0 GCADRP CN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672329683 1199210296 /nfs/dbraw/zinc/21/02/96/1199210296.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 2 0 393.576 0.604 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000672513174 1199253596 /nfs/dbraw/zinc/25/35/96/1199253596.db2.gz RHFHNVBZONOKCH-MRXNPFEDSA-N 2 0 395.548 0.036 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638153 1199292508 /nfs/dbraw/zinc/29/25/08/1199292508.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 2 0 391.560 0.356 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296448 /nfs/dbraw/zinc/29/64/48/1199296448.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 2 0 391.560 0.214 20 0 GCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640634 1199297613 /nfs/dbraw/zinc/29/76/13/1199297613.db2.gz DYUADZDRMYOXQB-WMZOPIPTSA-N 2 0 393.576 0.460 20 0 GCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672641188 1199299268 /nfs/dbraw/zinc/29/92/68/1199299268.db2.gz MVUBACAVVBULLU-QGZVFWFLSA-N 2 0 379.549 0.260 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642563 1199300004 /nfs/dbraw/zinc/30/00/04/1199300004.db2.gz CQOQSDZSMXSPEP-IEBWSBKVSA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642566 1199301762 /nfs/dbraw/zinc/30/17/62/1199301762.db2.gz CQOQSDZSMXSPEP-PKOBYXMFSA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641892 1199302176 /nfs/dbraw/zinc/30/21/76/1199302176.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 2 0 391.560 0.404 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642904 1199304951 /nfs/dbraw/zinc/30/49/51/1199304951.db2.gz JQTXBLXWQKMAIE-QZTJIDSGSA-N 2 0 393.576 0.652 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643053 1199306510 /nfs/dbraw/zinc/30/65/10/1199306510.db2.gz NNLLWSQBRZWBBZ-PKOBYXMFSA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000077551014 1199314275 /nfs/dbraw/zinc/31/42/75/1199314275.db2.gz RVBIVNGNJMBEIO-UHFFFAOYSA-N 2 0 381.565 0.766 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000672697162 1199318932 /nfs/dbraw/zinc/31/89/32/1199318932.db2.gz PPKKPAMGCZWFEU-ZWKOTPCHSA-N 2 0 380.533 0.548 20 0 GCADRP Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C)nc1C(F)(F)F ZINC000672966757 1199380757 /nfs/dbraw/zinc/38/07/57/1199380757.db2.gz OAIUMUMGMKWCKC-UHFFFAOYSA-N 2 0 392.426 0.638 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000423471880 1199479361 /nfs/dbraw/zinc/47/93/61/1199479361.db2.gz FORRAJKFCACWJK-OAQYLSRUSA-N 2 0 388.512 0.940 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224134 1199487934 /nfs/dbraw/zinc/48/79/34/1199487934.db2.gz KKTCWSOXNSGCMP-AEFFLSMTSA-N 2 0 395.592 0.706 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2)CC1 ZINC000466144658 1199494605 /nfs/dbraw/zinc/49/46/05/1199494605.db2.gz YOMISVRECLKTBN-MOPGFXCFSA-N 2 0 380.581 0.291 20 0 GCADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000673269935 1199512879 /nfs/dbraw/zinc/51/28/79/1199512879.db2.gz VBZIRTXCKXGTLI-IBGZPJMESA-N 2 0 395.592 0.850 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CCCO1 ZINC000673428057 1199630341 /nfs/dbraw/zinc/63/03/41/1199630341.db2.gz UVMHMFFXZSCFPB-KRWDZBQOSA-N 2 0 394.516 0.787 20 0 GCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922350821 1199742276 /nfs/dbraw/zinc/74/22/76/1199742276.db2.gz KEVJTVCWYMNHNI-SFHVURJKSA-N 2 0 382.549 0.258 20 0 GCADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)C2 ZINC000922349408 1199745022 /nfs/dbraw/zinc/74/50/22/1199745022.db2.gz WASCIQDIQWONHN-WIRSXHRWSA-N 2 0 395.592 0.791 20 0 GCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COCC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000153988175 1199782508 /nfs/dbraw/zinc/78/25/08/1199782508.db2.gz FPFFRWQSSRZXJN-HDICACEKSA-N 2 0 382.549 0.600 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583415 1199826654 /nfs/dbraw/zinc/82/66/54/1199826654.db2.gz LOMAHNQJFNBWRC-YSHGAJCASA-N 2 0 392.544 0.423 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673584804 1199828827 /nfs/dbraw/zinc/82/88/27/1199828827.db2.gz JVALGACTULSXQS-GUDVDZBRSA-N 2 0 392.544 0.567 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583050 1199829639 /nfs/dbraw/zinc/82/96/39/1199829639.db2.gz MQEGIBIGIFLKJA-KZNAEPCWSA-N 2 0 378.517 0.081 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625022750 1199892226 /nfs/dbraw/zinc/89/22/26/1199892226.db2.gz BCARWOAWJHPJNR-IRXDYDNUSA-N 2 0 390.532 0.648 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000673637185 1199898420 /nfs/dbraw/zinc/89/84/20/1199898420.db2.gz JLNVCPDANYJYHB-MRXNPFEDSA-N 2 0 389.500 0.327 20 0 GCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000625603981 1200080334 /nfs/dbraw/zinc/08/03/34/1200080334.db2.gz BORWXGUPTNXVFA-MSOLQXFVSA-N 2 0 392.544 0.642 20 0 GCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000625603984 1200081082 /nfs/dbraw/zinc/08/10/82/1200081082.db2.gz BORWXGUPTNXVFA-ZWKOTPCHSA-N 2 0 392.544 0.642 20 0 GCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000674872031 1200328529 /nfs/dbraw/zinc/32/85/29/1200328529.db2.gz KMFZNMADGVAWJM-MRXNPFEDSA-N 2 0 379.505 0.940 20 0 GCADRP C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675816674 1200462020 /nfs/dbraw/zinc/46/20/20/1200462020.db2.gz DQADTDGICPMLQT-KRWDZBQOSA-N 2 0 398.573 0.855 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCC=CO1 ZINC000804084359 1200491195 /nfs/dbraw/zinc/49/11/95/1200491195.db2.gz UBQLJVHBXMINGE-GOSISDBHSA-N 2 0 387.484 0.519 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376041259 1200610475 /nfs/dbraw/zinc/61/04/75/1200610475.db2.gz FXCXBDAWQSQARJ-OAHLLOKOSA-N 2 0 378.521 1.459 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365940571 1200654343 /nfs/dbraw/zinc/65/43/43/1200654343.db2.gz IXMPEOHKJZOSFG-HZPDHXFCSA-N 2 0 390.532 1.325 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)Cc1ccccc1 ZINC000375746506 1200660876 /nfs/dbraw/zinc/66/08/76/1200660876.db2.gz XIKKIRJHFBXKIK-UHFFFAOYSA-N 2 0 398.511 1.337 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC3(C)CC[NH+](C)CC3)n2)CC1 ZINC000427286640 1200672266 /nfs/dbraw/zinc/67/22/66/1200672266.db2.gz BDGKJEXCIFDMIP-UHFFFAOYSA-N 2 0 376.505 0.936 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)n2)CC1 ZINC000373897745 1200673233 /nfs/dbraw/zinc/67/32/33/1200673233.db2.gz MIMLMRSHUPRMOK-UHFFFAOYSA-N 2 0 388.516 1.175 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)n2)CC1 ZINC000330204662 1200675404 /nfs/dbraw/zinc/67/54/04/1200675404.db2.gz CVNJOKLMRVKQOC-UHFFFAOYSA-N 2 0 376.505 1.478 20 0 GCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448508390 1200681436 /nfs/dbraw/zinc/68/14/36/1200681436.db2.gz SAUCPZWZYGMITF-SJLPKXTDSA-N 2 0 398.511 1.335 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427108038 1200711500 /nfs/dbraw/zinc/71/15/00/1200711500.db2.gz OTZFIOVRQFZLIW-UHFFFAOYSA-N 2 0 390.532 1.325 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000477030003 1200789284 /nfs/dbraw/zinc/78/92/84/1200789284.db2.gz UYENIWNXRGVVLJ-LPHOPBHVSA-N 2 0 390.528 0.716 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000477107432 1200827172 /nfs/dbraw/zinc/82/71/72/1200827172.db2.gz MMBJYIATWDUIOV-INIZCTEOSA-N 2 0 390.532 0.296 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000441736712 1200863036 /nfs/dbraw/zinc/86/30/36/1200863036.db2.gz BQAAPXQSQNEDPM-SJORKVTESA-N 2 0 398.467 0.700 20 0 GCADRP CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427274585 1200905129 /nfs/dbraw/zinc/90/51/29/1200905129.db2.gz JKRAYYQPCWEMEV-GJZGRUSLSA-N 2 0 376.505 1.029 20 0 GCADRP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377004 1200972143 /nfs/dbraw/zinc/97/21/43/1200972143.db2.gz DVWGXLVREUJAMY-QRVBRYPASA-N 2 0 388.512 0.955 20 0 GCADRP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923376901 1200972405 /nfs/dbraw/zinc/97/24/05/1200972405.db2.gz DVWGXLVREUJAMY-CEXWTWQISA-N 2 0 388.512 0.955 20 0 GCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000923486771 1201036601 /nfs/dbraw/zinc/03/66/01/1201036601.db2.gz JRASOHMDHDWIHU-KRWDZBQOSA-N 2 0 394.541 0.331 20 0 GCADRP [NH3+]CC[C@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000923489527 1201044090 /nfs/dbraw/zinc/04/40/90/1201044090.db2.gz YKPOVAHSXPOUTM-INIZCTEOSA-N 2 0 383.514 0.757 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)N3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000923588262 1201167990 /nfs/dbraw/zinc/16/79/90/1201167990.db2.gz IPVPGUQIINFNLI-HZPDHXFCSA-N 2 0 382.530 0.535 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]2C)CC[N@@H+]1C ZINC001079732972 1201256312 /nfs/dbraw/zinc/25/63/12/1201256312.db2.gz XJSMZAMZAZHVOE-QKPAOTATSA-N 2 0 379.505 0.095 20 0 GCADRP C[C@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000175797418 1201482973 /nfs/dbraw/zinc/48/29/73/1201482973.db2.gz OYWADTMACXYZOB-GOSISDBHSA-N 2 0 381.565 0.624 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CNC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084944804 1201502938 /nfs/dbraw/zinc/50/29/38/1201502938.db2.gz NVLPXPBOLIJHSS-TWMKSMIVSA-N 2 0 391.516 0.191 20 0 GCADRP CC[NH+]1CCCN(C(=O)COCCOCC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000732096148 1201517984 /nfs/dbraw/zinc/51/79/84/1201517984.db2.gz XTABPHXVDVWAPR-UHFFFAOYSA-N 2 0 398.548 0.128 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000741415837 1201778881 /nfs/dbraw/zinc/77/88/81/1201778881.db2.gz XSLGKMJNYHBLKO-SFHLNBCPSA-N 2 0 388.512 0.786 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000745830734 1201892148 /nfs/dbraw/zinc/89/21/48/1201892148.db2.gz PNXLVZGFRLSFMK-SJLPKXTDSA-N 2 0 395.548 0.516 20 0 GCADRP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000745948650 1201893811 /nfs/dbraw/zinc/89/38/11/1201893811.db2.gz PDAXHSHXHOAYOE-UHFFFAOYSA-N 2 0 396.532 0.864 20 0 GCADRP Cc1ncn(-c2ccc(C(=O)NC3CC[NH+](C)CC3)nn2)c1CSCC[NH3+] ZINC001168787065 1201923619 /nfs/dbraw/zinc/92/36/19/1201923619.db2.gz ZQYIQQGTXIRSJR-UHFFFAOYSA-N 2 0 389.529 0.987 20 0 GCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc(OCCN4CCOCC4)nc3)n2)c1 ZINC001168883302 1201928171 /nfs/dbraw/zinc/92/81/71/1201928171.db2.gz ITSKNCXNCKODIY-UHFFFAOYSA-N 2 0 381.440 0.894 20 0 GCADRP C[NH+](C)CCCNC(=O)c1cccnc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168878104 1201928205 /nfs/dbraw/zinc/92/82/05/1201928205.db2.gz NRLXAGIXZJDQER-UHFFFAOYSA-N 2 0 380.456 0.865 20 0 GCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc([C@@H]4CC5(C[NH2+]C5)C(=O)N4)cc3)n2)c1 ZINC001168885048 1201928396 /nfs/dbraw/zinc/92/83/96/1201928396.db2.gz RAKFMDJKDOYODE-KRWDZBQOSA-N 2 0 375.436 0.939 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1cc(CC[NH3+])cn1 ZINC001168947141 1201929099 /nfs/dbraw/zinc/92/90/99/1201929099.db2.gz SLWOTNTYUQVYMI-OAHLLOKOSA-N 2 0 375.473 0.874 20 0 GCADRP COC(=O)[C@H](CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)CNC(C)=O ZINC001169125309 1201932870 /nfs/dbraw/zinc/93/28/70/1201932870.db2.gz YQWWUJMHCUIRSH-YVSFHVDLSA-N 2 0 382.505 0.165 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001169170676 1201936946 /nfs/dbraw/zinc/93/69/46/1201936946.db2.gz ZXLSWYCLFCHRMP-HZPDHXFCSA-N 2 0 390.532 0.924 20 0 GCADRP CC[NH+]1CCC([NH2+]CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC001169229878 1201940168 /nfs/dbraw/zinc/94/01/68/1201940168.db2.gz IZFVWPOCEMBAJU-BQFCYCMXSA-N 2 0 397.589 0.902 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])CO1 ZINC001169318888 1201941938 /nfs/dbraw/zinc/94/19/38/1201941938.db2.gz FVVJXTJSTXGAEM-IRXDYDNUSA-N 2 0 376.494 0.475 20 0 GCADRP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389894 1201944893 /nfs/dbraw/zinc/94/48/93/1201944893.db2.gz UCVQSQVSMVVOLN-IEBWSBKVSA-N 2 0 391.512 0.921 20 0 GCADRP CS(=O)(=O)C1CCC([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CC1 ZINC001169865944 1201958214 /nfs/dbraw/zinc/95/82/14/1201958214.db2.gz PQZDFSLACJDHOR-UHFFFAOYSA-N 2 0 388.530 0.938 20 0 GCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001109418070 1202041375 /nfs/dbraw/zinc/04/13/75/1202041375.db2.gz WPURLDMVRYHEQH-FZKCQIBNSA-N 2 0 377.489 0.134 20 0 GCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1 ZINC001109447446 1202053482 /nfs/dbraw/zinc/05/34/82/1202053482.db2.gz MXAARYKVXWLEFC-SQNIBIBYSA-N 2 0 375.517 0.963 20 0 GCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1C(=O)CNC1=O ZINC001109464290 1202056920 /nfs/dbraw/zinc/05/69/20/1202056920.db2.gz UQZNMUARIVQQSJ-ILXRZTDVSA-N 2 0 379.505 0.380 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770580938 1202104358 /nfs/dbraw/zinc/10/43/58/1202104358.db2.gz DKUDDLJKBVJLFQ-MJGOQNOKSA-N 2 0 381.565 0.955 20 0 GCADRP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O)[NH+](CC)CC ZINC001109714211 1202109818 /nfs/dbraw/zinc/10/98/18/1202109818.db2.gz BTDZMIVQQKRTNP-HCXYKTFWSA-N 2 0 382.549 0.981 20 0 GCADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1)CC(C)(C)C ZINC001109728939 1202113128 /nfs/dbraw/zinc/11/31/28/1202113128.db2.gz KOAMPGABSNVIAH-OWSLCNJRSA-N 2 0 377.533 0.943 20 0 GCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822372 1202130889 /nfs/dbraw/zinc/13/08/89/1202130889.db2.gz LGYPIXWMPPIKQA-SQNIBIBYSA-N 2 0 379.505 0.443 20 0 GCADRP Cn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)cn1 ZINC001109898798 1202145690 /nfs/dbraw/zinc/14/56/90/1202145690.db2.gz DGUNTXFEMCHZBN-NEWSRXKRSA-N 2 0 375.517 0.795 20 0 GCADRP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771766103 1202161744 /nfs/dbraw/zinc/16/17/44/1202161744.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 2 0 379.549 0.660 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NC[C@@H]1COCC[NH2+]1 ZINC001170034262 1202164450 /nfs/dbraw/zinc/16/44/50/1202164450.db2.gz ALUABNCTKOLLIJ-GDBMZVCRSA-N 2 0 380.489 0.588 20 0 GCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cc1ccccc1 ZINC001109977280 1202165228 /nfs/dbraw/zinc/16/52/28/1202165228.db2.gz BTVZGZUCELLKMV-ZRNYENFQSA-N 2 0 375.513 0.890 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787703829 1205399456 /nfs/dbraw/zinc/39/94/56/1205399456.db2.gz DNTTXIDMBZXCHZ-MHORFTMASA-N 2 0 380.533 0.450 20 0 GCADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000787893987 1205405196 /nfs/dbraw/zinc/40/51/96/1205405196.db2.gz HJINEBFJJOGUQA-MSOLQXFVSA-N 2 0 380.533 0.594 20 0 GCADRP O=C1O[C@]2(CN1CN1CC[NH+](CC3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790364528 1205463339 /nfs/dbraw/zinc/46/33/39/1205463339.db2.gz ZMZTWODASQIHEH-FQEVSTJZSA-N 2 0 378.517 0.905 20 0 GCADRP CC[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCO1 ZINC001170177573 1205489280 /nfs/dbraw/zinc/48/92/80/1205489280.db2.gz HIBOBNJDJIOHKD-RBUKOAKNSA-N 2 0 392.537 0.575 20 0 GCADRP Cc1cc[n+]([O-])c(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170388302 1205491296 /nfs/dbraw/zinc/49/12/96/1205491296.db2.gz KWADNZIRKZQWLU-QAGGRKNESA-N 2 0 396.532 0.902 20 0 GCADRP COc1cnnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170388088 1205491311 /nfs/dbraw/zinc/49/13/11/1205491311.db2.gz JBDZFFGQYODOHW-AHMROAQXSA-N 2 0 397.520 0.759 20 0 GCADRP COc1nccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170388487 1205491334 /nfs/dbraw/zinc/49/13/34/1205491334.db2.gz NBZKFILXGXXAEI-ALCWZJMGSA-N 2 0 397.520 0.759 20 0 GCADRP COc1cnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])nc1 ZINC001170391479 1205491345 /nfs/dbraw/zinc/49/13/45/1205491345.db2.gz YRBBZLYAJRPDSS-NBGIZXCLSA-N 2 0 397.520 0.759 20 0 GCADRP Cn1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ncc1=O ZINC001170391687 1205491355 /nfs/dbraw/zinc/49/13/55/1205491355.db2.gz DQTJBWJTCQFRIH-LYHUEXMXSA-N 2 0 397.520 0.054 20 0 GCADRP COc1cnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cn1 ZINC001170394232 1205491538 /nfs/dbraw/zinc/49/15/38/1205491538.db2.gz VMYISJLWXQUJKV-PUMWCKSCSA-N 2 0 397.520 0.759 20 0 GCADRP Cn1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc1=O ZINC001170392294 1205491552 /nfs/dbraw/zinc/49/15/52/1205491552.db2.gz GGCQTUYISNTKOR-AJFIWVJRSA-N 2 0 396.532 0.659 20 0 GCADRP COc1cnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cn1 ZINC001170394228 1205491559 /nfs/dbraw/zinc/49/15/59/1205491559.db2.gz VMYISJLWXQUJKV-LGEZUQEUSA-N 2 0 397.520 0.759 20 0 GCADRP C[n+]1cccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170397082 1205491577 /nfs/dbraw/zinc/49/15/77/1205491577.db2.gz FRNLKQQFZSLSNA-GPFWEFOESA-N 3 0 381.541 0.785 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(N)nn2)[C@H](O)OC(C)(C)C)C1 ZINC001170393621 1205491579 /nfs/dbraw/zinc/49/15/79/1205491579.db2.gz JSDUSUXBPKVWTP-UCQBOQSVSA-N 2 0 382.509 0.332 20 0 GCADRP C[n+]1cccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170397081 1205491600 /nfs/dbraw/zinc/49/16/00/1205491600.db2.gz FRNLKQQFZSLSNA-GBBGEASQSA-N 3 0 381.541 0.785 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(N)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170392059 1205491611 /nfs/dbraw/zinc/49/16/11/1205491611.db2.gz OULLVMATDGNYSL-XMSFWSCYSA-N 2 0 382.509 0.332 20 0 GCADRP Cn1c(=O)cccc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392709 1205491619 /nfs/dbraw/zinc/49/16/19/1205491619.db2.gz QCLQISQCBPUQFH-ZZGLYJMHSA-N 2 0 396.532 0.659 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc(C[NH3+])n2)[C@@H](O)OC(C)(C)C)C1 ZINC001170401038 1205491875 /nfs/dbraw/zinc/49/18/75/1205491875.db2.gz VHRCZOSFECXEIW-AJFIWVJRSA-N 3 0 395.548 0.814 20 0 GCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2=O ZINC000772829450 1205496735 /nfs/dbraw/zinc/49/67/35/1205496735.db2.gz SFESYJLPUWJLHB-RDJZCZTQSA-N 2 0 375.517 0.909 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000793721075 1205503540 /nfs/dbraw/zinc/50/35/40/1205503540.db2.gz SNQXAFAYBFBPSS-DLBZAZTESA-N 2 0 380.533 0.689 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+]1CCCCC1 ZINC000793699834 1205504349 /nfs/dbraw/zinc/50/43/49/1205504349.db2.gz BKZQVXFOBTVVOY-KRWDZBQOSA-N 2 0 380.533 0.738 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738021 1205505534 /nfs/dbraw/zinc/50/55/34/1205505534.db2.gz MUHOHKUMWCNXQU-QGZVFWFLSA-N 2 0 393.576 0.650 20 0 GCADRP C[NH+]1CC[C@@H]2CN(C(=O)C3(C(=O)N4C[C@@H]5CC[N@@H+](C)C[C@@H]5C4)CCC3)C[C@@H]2C1 ZINC000793940946 1205510609 /nfs/dbraw/zinc/51/06/09/1205510609.db2.gz VDYBEHHHAVXRLS-SEXKYXSUSA-N 2 0 388.556 0.977 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129856039 1205521221 /nfs/dbraw/zinc/52/12/21/1205521221.db2.gz VTIXLZLUPLMEEA-TUVASFSCSA-N 2 0 386.447 0.242 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC(C)C)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129858063 1205521333 /nfs/dbraw/zinc/52/13/33/1205521333.db2.gz NHEIPUZZXGADAK-MLHJIOFPSA-N 2 0 378.521 0.775 20 0 GCADRP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912607 1205522812 /nfs/dbraw/zinc/52/28/12/1205522812.db2.gz RCGXOXXQJCWDKI-OZZPGMFRSA-N 2 0 376.505 0.695 20 0 GCADRP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912724 1205522836 /nfs/dbraw/zinc/52/28/36/1205522836.db2.gz XJAUVFSMXGMKCI-ZJPYXAASSA-N 2 0 378.521 0.775 20 0 GCADRP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001130212910 1205537064 /nfs/dbraw/zinc/53/70/64/1205537064.db2.gz KJTKHCICAZPMLI-WCVJEAGWSA-N 2 0 378.521 0.879 20 0 GCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000806505210 1205558042 /nfs/dbraw/zinc/55/80/42/1205558042.db2.gz VZBDXEBXRNUIMX-SQNIBIBYSA-N 2 0 379.549 0.214 20 0 GCADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994345 1205585027 /nfs/dbraw/zinc/58/50/27/1205585027.db2.gz VEDIEMTWJYYGNB-QBPKDAKJSA-N 2 0 390.532 0.123 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000807698219 1205588882 /nfs/dbraw/zinc/58/88/82/1205588882.db2.gz IDAWPFVDGOHIAM-QGZVFWFLSA-N 2 0 376.501 0.448 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747470633 1205604228 /nfs/dbraw/zinc/60/42/28/1205604228.db2.gz NHSKCKIRGOCJRQ-MRXNPFEDSA-N 2 0 381.521 0.393 20 0 GCADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001170552674 1205607198 /nfs/dbraw/zinc/60/71/98/1205607198.db2.gz UVRVNOULFGUHSP-SJORKVTESA-N 2 0 380.533 0.498 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000747558238 1205623400 /nfs/dbraw/zinc/62/34/00/1205623400.db2.gz SQINVUVDURBQSU-LJQANCHMSA-N 2 0 386.500 0.985 20 0 GCADRP COC(=O)CC[C@]1(C)NC(=O)N(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000811761752 1205657273 /nfs/dbraw/zinc/65/72/73/1205657273.db2.gz UEGGCFJIZWYNDM-KXBFYZLASA-N 2 0 380.489 0.871 20 0 GCADRP COC(=O)CC[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000811761751 1205657306 /nfs/dbraw/zinc/65/73/06/1205657306.db2.gz UEGGCFJIZWYNDM-HNAYVOBHSA-N 2 0 380.489 0.871 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172017693 1205711835 /nfs/dbraw/zinc/71/18/35/1205711835.db2.gz YTRUBSGOGBZRRI-GOSISDBHSA-N 2 0 391.560 0.310 20 0 GCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)S(C)(=O)=O)cn1 ZINC001172119679 1205713262 /nfs/dbraw/zinc/71/32/62/1205713262.db2.gz YUKNNNRYODQCIF-XCDZQEORSA-N 2 0 395.573 0.970 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172176915 1205714031 /nfs/dbraw/zinc/71/40/31/1205714031.db2.gz ZHJOMAMJNFVYDE-BRSBDYLESA-N 2 0 378.517 0.251 20 0 GCADRP COCCC[NH+]1CCC(N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)CC1 ZINC001172251694 1205715010 /nfs/dbraw/zinc/71/50/10/1205715010.db2.gz VBIYLSSCQJOQSP-UHFFFAOYSA-N 2 0 399.561 0.639 20 0 GCADRP COCCC[NH+]1CCC(N([C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)S(C)(=O)=O)CC1 ZINC001172251943 1205715227 /nfs/dbraw/zinc/71/52/27/1205715227.db2.gz ZHVWBESAVNLFFX-JQHSSLGASA-N 2 0 389.562 0.516 20 0 GCADRP COC(=O)[C@H]1C[C@H]([NH2+]CCN(C)CC[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001172259198 1205715383 /nfs/dbraw/zinc/71/53/83/1205715383.db2.gz JNOXCRDWKYLPEL-OKZBNKHCSA-N 2 0 377.485 0.778 20 0 GCADRP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612627 1205716322 /nfs/dbraw/zinc/71/63/22/1205716322.db2.gz COSAHIPPEQPJLT-ZJPYXAASSA-N 2 0 381.517 0.829 20 0 GCADRP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001172618635 1205716406 /nfs/dbraw/zinc/71/64/06/1205716406.db2.gz WRPCKZNQNDEEPW-ZWKOTPCHSA-N 2 0 394.560 0.888 20 0 GCADRP CO[C@H]1CCC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001172920894 1205717856 /nfs/dbraw/zinc/71/78/56/1205717856.db2.gz UQHGGTMJUGJGMO-MOPGFXCFSA-N 2 0 392.537 0.575 20 0 GCADRP CC[N@@H+]1CC[C@H](N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001173352989 1205719586 /nfs/dbraw/zinc/71/95/86/1205719586.db2.gz CCDIXSWRGDXSHJ-VIUKOLAESA-N 3 0 386.581 0.850 20 0 GCADRP CC[N@@H+]1CC[C@H](N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001173352988 1205719789 /nfs/dbraw/zinc/71/97/89/1205719789.db2.gz CCDIXSWRGDXSHJ-KOUJMVCDSA-N 3 0 386.581 0.850 20 0 GCADRP COC(=O)[C@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173484325 1205720928 /nfs/dbraw/zinc/72/09/28/1205720928.db2.gz MGHNDDWTARJGRC-RTBURBONSA-N 2 0 388.512 0.670 20 0 GCADRP [NH3+]CCN(CC[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1)N(O)N=O ZINC001173463754 1205721209 /nfs/dbraw/zinc/72/12/09/1205721209.db2.gz QKPFDRUJNJUKSK-UHFFFAOYSA-N 2 0 394.476 0.332 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173755946 1205727547 /nfs/dbraw/zinc/72/75/47/1205727547.db2.gz XEBJLZQKGYTGBD-KGLIPLIRSA-N 2 0 388.476 0.495 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cnc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001176836376 1205756300 /nfs/dbraw/zinc/75/63/00/1205756300.db2.gz HETQCCPSAOCPGR-GIVGJKMXSA-N 2 0 397.520 0.248 20 0 GCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)NC3(CO)CC[NH+](C)CC3)CC2)CC1 ZINC001179017484 1205798065 /nfs/dbraw/zinc/79/80/65/1205798065.db2.gz JIAJITGLSISXMZ-UHFFFAOYSA-N 2 0 380.533 0.282 20 0 GCADRP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179150129 1205803935 /nfs/dbraw/zinc/80/39/35/1205803935.db2.gz JWHBCQKEVUEDCN-HNNXBMFYSA-N 2 0 384.521 0.765 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001179373661 1205809239 /nfs/dbraw/zinc/80/92/39/1205809239.db2.gz XNBPBPWZNPUORN-QLFBSQMISA-N 2 0 397.520 0.932 20 0 GCADRP CC(C)[C@H](O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001179607721 1205812469 /nfs/dbraw/zinc/81/24/69/1205812469.db2.gz XIHWPCFADAOQFK-BBAVMRQUSA-N 2 0 389.537 0.299 20 0 GCADRP CC(C)[NH+]1CCN(CC(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)CC1 ZINC001180346765 1205821967 /nfs/dbraw/zinc/82/19/67/1205821967.db2.gz MXBKXUSQNOCZPM-UHFFFAOYSA-N 2 0 389.544 0.765 20 0 GCADRP C[C@H](C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)[NH+]1CCCC1 ZINC001180578357 1205826349 /nfs/dbraw/zinc/82/63/49/1205826349.db2.gz GAIOGEHTRCIKNF-AEFFLSMTSA-N 2 0 390.532 0.838 20 0 GCADRP NC(=O)C1CC[NH+](CCC(=O)n2cc(Br)ccc2=NCC[NH3+])CC1 ZINC001180613348 1205827349 /nfs/dbraw/zinc/82/73/49/1205827349.db2.gz PVURBQOXUVKMRD-UHFFFAOYSA-N 2 0 398.305 0.338 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C[N@H+](C)C1CCCC1)CC2 ZINC001180626839 1205827757 /nfs/dbraw/zinc/82/77/57/1205827757.db2.gz WFGVDOQTIFUHDW-UHFFFAOYSA-N 2 0 377.489 0.725 20 0 GCADRP CS(=O)(=O)N(C(=O)CC[NH+]1CCC(C(N)=O)CC1)c1ccc(C[NH3+])cc1 ZINC001180611690 1205828665 /nfs/dbraw/zinc/82/86/65/1205828665.db2.gz FOTXSBUHUXRGJX-UHFFFAOYSA-N 2 0 382.486 0.025 20 0 GCADRP C[N@H+](CCNC(=O)CC[NH+]1CCC(C(N)=O)CC1)CCNC(=O)OC(C)(C)C ZINC001180612430 1205828738 /nfs/dbraw/zinc/82/87/38/1205828738.db2.gz DPNKLYBXRGCGSF-UHFFFAOYSA-N 2 0 399.536 0.147 20 0 GCADRP NC(=O)C1CC[NH+](CCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC001180612510 1205828886 /nfs/dbraw/zinc/82/88/86/1205828886.db2.gz PXNKYCTWMUGZJW-UHFFFAOYSA-N 2 0 380.533 0.725 20 0 GCADRP Cc1ccc(N(C(=O)[C@@H]2CN(C)CCO2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761143 1205830265 /nfs/dbraw/zinc/83/02/65/1205830265.db2.gz XHIZRZXDRUDONT-TXPKVOOTSA-N 2 0 375.473 0.360 20 0 GCADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)C12CC[NH+](CC1)CC2 ZINC001181553565 1205846378 /nfs/dbraw/zinc/84/63/78/1205846378.db2.gz XTCVTLPQNPYVNL-UHFFFAOYSA-N 2 0 378.498 0.419 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001181904685 1205851839 /nfs/dbraw/zinc/85/18/39/1205851839.db2.gz OMXHIPPGOLMSLZ-OQOPRLEKSA-N 2 0 399.532 0.651 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1(C)CC[NH+](C)CC1)CC2 ZINC001181986178 1205852902 /nfs/dbraw/zinc/85/29/02/1205852902.db2.gz NBZBWKYPMHFVLJ-UHFFFAOYSA-N 2 0 377.489 0.583 20 0 GCADRP C[NH+]1CCC(C)(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001181994284 1205853086 /nfs/dbraw/zinc/85/30/86/1205853086.db2.gz PCLUUQBPKYWDMK-UHFFFAOYSA-N 2 0 380.514 0.665 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001182009797 1205854544 /nfs/dbraw/zinc/85/45/44/1205854544.db2.gz BDRXLWZZESNHDO-AWEZNQCLSA-N 2 0 375.473 0.193 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001182011023 1205854619 /nfs/dbraw/zinc/85/46/19/1205854619.db2.gz AHBWBMPRCQIFFK-GOSISDBHSA-N 2 0 391.560 0.025 20 0 GCADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001182838701 1205881309 /nfs/dbraw/zinc/88/13/09/1205881309.db2.gz UFZWZMXDQYFDDJ-KRWDZBQOSA-N 2 0 379.549 0.166 20 0 GCADRP C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182871988 1205882074 /nfs/dbraw/zinc/88/20/74/1205882074.db2.gz UILJIOQXGAJQPN-JTQLQIEISA-N 2 0 375.882 0.468 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC(F)F)[C@@H](O)OC(C)(C)C)C1 ZINC001182967289 1205884329 /nfs/dbraw/zinc/88/43/29/1205884329.db2.gz QQXSTULAENWFCT-LTVHRWTQSA-N 2 0 381.464 0.937 20 0 GCADRP CC[C@H](CO)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001183174055 1205888267 /nfs/dbraw/zinc/88/82/67/1205888267.db2.gz OKVMJPBSJCTINZ-MVFSYPETSA-N 2 0 389.537 0.301 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC001183225166 1205889576 /nfs/dbraw/zinc/88/95/76/1205889576.db2.gz LFIXNWUQEJUCPO-AWEZNQCLSA-N 2 0 383.518 0.726 20 0 GCADRP CN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814372 1205900612 /nfs/dbraw/zinc/90/06/12/1205900612.db2.gz DHMXVOKQOHQEII-CQSZACIVSA-N 2 0 384.525 0.779 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CC1(C)CCOCC1)CC2 ZINC001183831428 1205900936 /nfs/dbraw/zinc/90/09/36/1205900936.db2.gz VESMDDNRJZYSQO-UHFFFAOYSA-N 2 0 394.560 0.890 20 0 GCADRP CN(CC(=O)N(CC[NH3+])S(C)(=O)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183804766 1205901089 /nfs/dbraw/zinc/90/10/89/1205901089.db2.gz GXFVCVZEHIUAQX-ZDUSSCGKSA-N 2 0 392.522 0.065 20 0 GCADRP COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774727466 1205906393 /nfs/dbraw/zinc/90/63/93/1205906393.db2.gz WGABRADUUWEGBG-JXAWBTAJSA-N 2 0 398.573 0.924 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000774853034 1205921040 /nfs/dbraw/zinc/92/10/40/1205921040.db2.gz GILADBXISDJWCS-SOUVJXGZSA-N 2 0 380.514 0.446 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000774863419 1205922191 /nfs/dbraw/zinc/92/21/91/1205922191.db2.gz HCEZYDPZAPKRBF-QGZVFWFLSA-N 2 0 380.533 0.737 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000774925725 1205928672 /nfs/dbraw/zinc/92/86/72/1205928672.db2.gz VPMHOBPXWPIVRX-FHWLQOOXSA-N 2 0 388.512 0.255 20 0 GCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)C1 ZINC001186107854 1205935263 /nfs/dbraw/zinc/93/52/63/1205935263.db2.gz YGPBAGTZFSPFFZ-INIZCTEOSA-N 2 0 394.516 0.027 20 0 GCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(S(=O)(=O)c4c[nH]cn4)CC3)CC2)CC1 ZINC001187754041 1205968798 /nfs/dbraw/zinc/96/87/98/1205968798.db2.gz LCRFHKZGTAKURP-UHFFFAOYSA-N 2 0 396.561 0.275 20 0 GCADRP CNC(=O)c1ccc(CS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cc1 ZINC001189383246 1206003053 /nfs/dbraw/zinc/00/30/53/1206003053.db2.gz JAMDOMPOHPKIHE-UHFFFAOYSA-N 2 0 396.557 0.834 20 0 GCADRP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNC(=O)NC(C)(C)C)C1 ZINC001110417034 1206014637 /nfs/dbraw/zinc/01/46/37/1206014637.db2.gz GVWVGOBQBGKAIS-LVQVYYBASA-N 2 0 381.521 0.136 20 0 GCADRP CCOC(=O)CN(CC[NH3+])C(=O)c1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001190865750 1206049000 /nfs/dbraw/zinc/04/90/00/1206049000.db2.gz JNKDZEZHBNJUJC-UHFFFAOYSA-N 2 0 376.501 0.788 20 0 GCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164686583 719731024 /nfs/dbraw/zinc/73/10/24/719731024.db2.gz PRMIXUZBUMKRBS-UHFFFAOYSA-N 2 0 387.532 0.585 20 0 GCADRP C[NH+]1CCN(c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)n2)CC1 ZINC001164815738 720247321 /nfs/dbraw/zinc/24/73/21/720247321.db2.gz DROUKDKLYYCWMO-UHFFFAOYSA-N 2 0 397.483 0.095 20 0 GCADRP O=C(c1nn(-c2ncccc2C[NH+]2CCCC2)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164816339 720249799 /nfs/dbraw/zinc/24/97/99/720249799.db2.gz IFNXJRUCBSMQKQ-UHFFFAOYSA-N 2 0 382.468 0.939 20 0 GCADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001164731198 720519129 /nfs/dbraw/zinc/51/91/29/720519129.db2.gz UUQMGEGKLNFSQW-MRXNPFEDSA-N 2 0 383.500 0.522 20 0 GCADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2C(=O)N2CC[NH2+]CC2)C1 ZINC001164731197 720519482 /nfs/dbraw/zinc/51/94/82/720519482.db2.gz UUQMGEGKLNFSQW-INIZCTEOSA-N 2 0 383.500 0.522 20 0 GCADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164740388 720730568 /nfs/dbraw/zinc/73/05/68/720730568.db2.gz KMELXUMVFLZXPS-IRXDYDNUSA-N 2 0 396.499 0.536 20 0 GCADRP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745810 720769084 /nfs/dbraw/zinc/76/90/84/720769084.db2.gz VWPROYGSYWMZFD-NVXWUHKLSA-N 2 0 397.483 0.739 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164852965 720877910 /nfs/dbraw/zinc/87/79/10/720877910.db2.gz ASPCPRNNMMXKFY-AEFFLSMTSA-N 2 0 391.516 0.781 20 0 GCADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164866028 721061183 /nfs/dbraw/zinc/06/11/83/721061183.db2.gz BTIRVDXVJCWRKN-MOPGFXCFSA-N 2 0 395.511 0.761 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264726 945491047 /nfs/dbraw/zinc/49/10/47/945491047.db2.gz VCUGJNFLBXBTLP-SJORKVTESA-N 2 0 385.472 0.135 20 0 GCADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)cn2)CC1 ZINC000821628573 945756791 /nfs/dbraw/zinc/75/67/91/945756791.db2.gz LOJUGCJBUNCADZ-SFHVURJKSA-N 2 0 394.483 0.837 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571305808 946374977 /nfs/dbraw/zinc/37/49/77/946374977.db2.gz KNQWHYGAMSOOAG-CYBMUJFWSA-N 2 0 391.501 0.341 20 0 GCADRP CC(C)(C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573765730 948923802 /nfs/dbraw/zinc/92/38/02/948923802.db2.gz APBWUUBWCAIQHF-AWEZNQCLSA-N 2 0 384.488 0.961 20 0 GCADRP CC(C)(C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573771889 948949657 /nfs/dbraw/zinc/94/96/57/948949657.db2.gz NOWNRMVLMHXWOA-MRXNPFEDSA-N 2 0 384.488 0.865 20 0 GCADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573773389 948982847 /nfs/dbraw/zinc/98/28/47/948982847.db2.gz ANHLPPYEZZKGEF-OAHLLOKOSA-N 2 0 387.488 0.308 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574957498 949619631 /nfs/dbraw/zinc/61/96/31/949619631.db2.gz ZHIIKSFYPFLUPP-YWPYICTPSA-N 2 0 375.452 0.940 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192113 950227299 /nfs/dbraw/zinc/22/72/99/950227299.db2.gz JUJAXDLPWJGWQT-ZBFHGGJFSA-N 2 0 387.488 0.117 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205173 950496241 /nfs/dbraw/zinc/49/62/41/950496241.db2.gz VWFHYVIAKZEALZ-YJYMSZOUSA-N 2 0 384.488 0.722 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576205708 950533292 /nfs/dbraw/zinc/53/32/92/950533292.db2.gz NEIBGUDUJAISQB-CQSZACIVSA-N 2 0 384.488 0.724 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208365 950609952 /nfs/dbraw/zinc/60/99/52/950609952.db2.gz OOUJLSGQWGPPSL-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208941 950622211 /nfs/dbraw/zinc/62/22/11/950622211.db2.gz VNCWAGJRFJPRKY-CHWSQXEVSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576213521 950632071 /nfs/dbraw/zinc/63/20/71/950632071.db2.gz BPGHEDZCSPEGRO-RBSFLKMASA-N 2 0 384.488 0.865 20 0 GCADRP C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574772514 950969054 /nfs/dbraw/zinc/96/90/54/950969054.db2.gz SZYJTFUISYMVKA-CHWSQXEVSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576230284 950996963 /nfs/dbraw/zinc/99/69/63/950996963.db2.gz AMQQMIQLTUXNLY-UONOGXRCSA-N 2 0 382.472 0.286 20 0 GCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576230285 950998156 /nfs/dbraw/zinc/99/81/56/950998156.db2.gz AMQQMIQLTUXNLY-ZIAGYGMSSA-N 2 0 382.472 0.286 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575091651 951780881 /nfs/dbraw/zinc/78/08/81/951780881.db2.gz TZOPZJJBLXDMNE-GXTWGEPZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101243 951855353 /nfs/dbraw/zinc/85/53/53/951855353.db2.gz BGJCAJYCHCHWEL-GXTWGEPZSA-N 2 0 375.452 0.799 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120199 952500851 /nfs/dbraw/zinc/50/08/51/952500851.db2.gz JFBTZYVWKCRCBL-OTTFEQOBSA-N 2 0 375.502 0.864 20 0 GCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571189978 952937460 /nfs/dbraw/zinc/93/74/60/952937460.db2.gz BKIPBNNGRUBBHF-QGZVFWFLSA-N 2 0 381.484 0.995 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571189975 952937546 /nfs/dbraw/zinc/93/75/46/952937546.db2.gz BHQXYTDUUAJHDM-XYJFISCASA-N 2 0 381.484 0.851 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571190847 952944020 /nfs/dbraw/zinc/94/40/20/952944020.db2.gz NJDNWIDYDPBIQV-QGZVFWFLSA-N 2 0 381.484 0.995 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571192790 952949020 /nfs/dbraw/zinc/94/90/20/952949020.db2.gz VXOYSUHTYXWBJU-KZNAEPCWSA-N 2 0 381.484 0.994 20 0 GCADRP Cc1cc(N[C@H]2C[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571212576 953089731 /nfs/dbraw/zinc/08/97/31/953089731.db2.gz NIMJSDATPXCCHR-HDJSIYSDSA-N 2 0 382.472 0.395 20 0 GCADRP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001571219085 953122711 /nfs/dbraw/zinc/12/27/11/953122711.db2.gz UVRQSYXMSWYPHL-QDEZUTFSSA-N 2 0 382.472 0.760 20 0 GCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571250493 953310894 /nfs/dbraw/zinc/31/08/94/953310894.db2.gz QGRGDJAZLANCMU-HOCLYGCPSA-N 2 0 384.488 0.817 20 0 GCADRP Cc1cc(N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571251882 953320937 /nfs/dbraw/zinc/32/09/37/953320937.db2.gz CDKHRRFZSGOFSL-BBRMVZONSA-N 2 0 384.488 0.735 20 0 GCADRP Cc1cc(N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252148 953324325 /nfs/dbraw/zinc/32/43/25/953324325.db2.gz IINJBLPLKDEVAH-HNNXBMFYSA-N 2 0 384.488 0.737 20 0 GCADRP Cc1cc(NC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252650 953331246 /nfs/dbraw/zinc/33/12/46/953331246.db2.gz SKUUGQCVQMQHGW-HIFRSBDPSA-N 2 0 384.488 0.594 20 0 GCADRP Cc1cc(NC2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252745 953333042 /nfs/dbraw/zinc/33/30/42/953333042.db2.gz VPLINCAGYFJCPW-MQBCKMQZSA-N 2 0 384.488 0.878 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571252857 953333348 /nfs/dbraw/zinc/33/33/48/953333348.db2.gz XGCYADSGPSXGTG-JKIFEVAISA-N 2 0 384.488 0.735 20 0 GCADRP Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252908 953333578 /nfs/dbraw/zinc/33/35/78/953333578.db2.gz YRZKQGMSLMKYMT-GDBMZVCRSA-N 2 0 384.488 0.949 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874417828 956205779 /nfs/dbraw/zinc/20/57/79/956205779.db2.gz RQIOWXKFUFCOOK-QGZVFWFLSA-N 2 0 383.537 0.593 20 0 GCADRP C[NH+](C)C1CCN(CCNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000530654516 530154835 /nfs/dbraw/zinc/15/48/35/530154835.db2.gz NLNRTAFDVVPTHS-UHFFFAOYSA-N 2 0 388.559 0.559 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000530883475 530166106 /nfs/dbraw/zinc/16/61/06/530166106.db2.gz CGJSRRBJTKHCRY-UHFFFAOYSA-N 2 0 396.966 0.632 20 0 GCADRP CC[NH+](CC)CCSCC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000269179136 530236134 /nfs/dbraw/zinc/23/61/34/530236134.db2.gz HRKPWYHLFDQCCU-UHFFFAOYSA-N 2 0 388.559 0.937 20 0 GCADRP CN(CCC(=O)N1CCN(C)CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000275246412 530309034 /nfs/dbraw/zinc/30/90/34/530309034.db2.gz OFVWHNHIVQVDBA-UHFFFAOYSA-N 2 0 398.305 0.879 20 0 GCADRP O=c1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc2ccc(Br)cn12 ZINC000326310930 530575785 /nfs/dbraw/zinc/57/57/85/530575785.db2.gz LHLBQHWSJUOHAY-OAHLLOKOSA-N 2 0 392.301 0.937 20 0 GCADRP COC(=O)c1ccc(F)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000611018816 530932077 /nfs/dbraw/zinc/93/20/77/530932077.db2.gz MXYGWRVTXAXDDA-UHFFFAOYSA-N 2 0 375.466 0.726 20 0 GCADRP C[C@@H]1CN(CCOC2CC[NH+](CCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000508968172 530915494 /nfs/dbraw/zinc/91/54/94/530915494.db2.gz VILRMFIVIKHNDH-IYBDPMFKSA-N 2 0 377.551 0.468 20 0 GCADRP C[C@]([NH3+])(C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(Br)cc1 ZINC000646801499 530955746 /nfs/dbraw/zinc/95/57/46/530955746.db2.gz PBARSFQOJUGBPI-OAHLLOKOSA-N 2 0 394.277 0.789 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cncc(Br)c1 ZINC000522134860 530973774 /nfs/dbraw/zinc/97/37/74/530973774.db2.gz JWMNRQZHEUZUGU-UHFFFAOYSA-N 2 0 379.324 0.958 20 0 GCADRP NC(=O)c1cc(Br)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420464427 530968311 /nfs/dbraw/zinc/96/83/11/530968311.db2.gz XNPUWHKCPIIHGW-UHFFFAOYSA-N 2 0 393.307 0.236 20 0 GCADRP C[C@@]([NH3+])(C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000261987074 530991994 /nfs/dbraw/zinc/99/19/94/530991994.db2.gz QJDITQVFUNHXKR-PXAZEXFGSA-N 2 0 397.317 0.937 20 0 GCADRP COC(=O)c1cc(F)cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000542048942 531063578 /nfs/dbraw/zinc/06/35/78/531063578.db2.gz JWLPSEPJDVVYAZ-UHFFFAOYSA-N 2 0 375.466 0.726 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000544188260 531078866 /nfs/dbraw/zinc/07/88/66/531078866.db2.gz VQFFKCLMNXFHIG-UHFFFAOYSA-N 2 0 376.910 0.553 20 0 GCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643500494 531086164 /nfs/dbraw/zinc/08/61/64/531086164.db2.gz RUEFZAXWJAFLDR-AWEZNQCLSA-N 2 0 388.921 0.721 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738065873 599026891 /nfs/dbraw/zinc/02/68/91/599026891.db2.gz LLVIKWQFYRJIJL-UHFFFAOYSA-N 2 0 393.455 0.599 20 0 GCADRP C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000736182383 598701048 /nfs/dbraw/zinc/70/10/48/598701048.db2.gz NVGDHYMZWMWODE-AWEZNQCLSA-N 2 0 375.477 0.586 20 0 GCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736572643 599488441 /nfs/dbraw/zinc/48/84/41/599488441.db2.gz ZDXOYPAUKKYZGJ-HNNXBMFYSA-N 2 0 383.504 0.878 20 0 GCADRP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1-c1nn[nH]n1 ZINC000826193442 607520085 /nfs/dbraw/zinc/52/00/85/607520085.db2.gz DBEZVALMOZTTJE-UHFFFAOYSA-N 2 0 387.488 0.765 20 0 GCADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccn1 ZINC000825870612 608101824 /nfs/dbraw/zinc/10/18/24/608101824.db2.gz UWSDSATYHZBRCU-AWEZNQCLSA-N 2 0 398.475 0.230 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825865609 608642128 /nfs/dbraw/zinc/64/21/28/608642128.db2.gz HZGQWLIQKDHHGO-UHFFFAOYSA-N 2 0 397.487 0.404 20 0 GCADRP C[NH+](C)CCCN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000934307279 638531348 /nfs/dbraw/zinc/53/13/48/638531348.db2.gz DAVGCPKXFLZRFM-HNNXBMFYSA-N 2 0 375.535 0.065 20 0 GCADRP C[NH+](C)C[C@@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC000894869120 638714216 /nfs/dbraw/zinc/71/42/16/638714216.db2.gz SIWJZZVRSOFRCG-VXGBXAGGSA-N 2 0 375.926 0.558 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503508 639517580 /nfs/dbraw/zinc/51/75/80/639517580.db2.gz NSHMKSINLLVLNW-UHFFFAOYSA-N 2 0 397.317 0.947 20 0 GCADRP C[C@H]1CN(C(=S)NCCC[NH+](C)C)CCN1C(=S)NCCC[NH+](C)C ZINC000916546772 639827514 /nfs/dbraw/zinc/82/75/14/639827514.db2.gz CLRJDLQSMRRGEH-HNNXBMFYSA-N 2 0 388.651 0.645 20 0 GCADRP [NH3+]CC[C@H]1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923490532 640139326 /nfs/dbraw/zinc/13/93/26/640139326.db2.gz VBYLBOISKUQVOV-LSDHHAIUSA-N 2 0 385.555 0.935 20 0 GCADRP COC(=O)c1nscc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589215 641359958 /nfs/dbraw/zinc/35/99/58/641359958.db2.gz NOLPHPMLOCPMSK-VXGBXAGGSA-N 2 0 390.531 0.290 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814383555 641808149 /nfs/dbraw/zinc/80/81/49/641808149.db2.gz ZOVLJGBPNRVJNK-UHFFFAOYSA-N 2 0 375.882 0.990 20 0 GCADRP Cn1ncc(I)c1C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925727519 641915743 /nfs/dbraw/zinc/91/57/43/641915743.db2.gz GWLWQZSPHKJJDS-PSMDHCFWSA-N 2 0 376.242 0.867 20 0 GCADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000925710185 641915921 /nfs/dbraw/zinc/91/59/21/641915921.db2.gz VXIMFZSFHCNWMF-GTHJPQEOSA-N 2 0 383.290 0.916 20 0 GCADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000842471579 642336828 /nfs/dbraw/zinc/33/68/28/642336828.db2.gz KECBDTCBGOKZOD-IAGOWNOFSA-N 2 0 376.567 0.867 20 0 GCADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000893494588 1192166628 /nfs/dbraw/zinc/16/66/28/1192166628.db2.gz PMMSPNUJRFPWSY-IRXDYDNUSA-N 2 0 379.549 0.959 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)CC1 ZINC000662983341 1192177127 /nfs/dbraw/zinc/17/71/27/1192177127.db2.gz JVAQYJLPIHJNIK-MJGOQNOKSA-N 2 0 393.576 0.589 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@H](C)C1 ZINC000500437434 1192177571 /nfs/dbraw/zinc/17/75/71/1192177571.db2.gz VPOOJTSRFQEEDE-IAGOWNOFSA-N 2 0 382.549 0.840 20 0 GCADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017168 1192185822 /nfs/dbraw/zinc/18/58/22/1192185822.db2.gz IRNKGYGXBPPQMU-GJZGRUSLSA-N 2 0 398.515 0.639 20 0 GCADRP [NH3+]CCc1nc(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cs1 ZINC000663017764 1192185848 /nfs/dbraw/zinc/18/58/48/1192185848.db2.gz KZEQIJLMFRQIRG-ZDUSSCGKSA-N 2 0 389.529 0.797 20 0 GCADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017418 1192186158 /nfs/dbraw/zinc/18/61/58/1192186158.db2.gz JZFRREVSVRMBSC-KBPBESRZSA-N 2 0 382.459 0.770 20 0 GCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345961 1192197650 /nfs/dbraw/zinc/19/76/50/1192197650.db2.gz PZPOTCAKMHQINV-CPUCHLNUSA-N 2 0 396.513 0.491 20 0 GCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345962 1192197802 /nfs/dbraw/zinc/19/78/02/1192197802.db2.gz PZPOTCAKMHQINV-JJRVBVJISA-N 2 0 396.513 0.491 20 0 GCADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652347101 1192197947 /nfs/dbraw/zinc/19/79/47/1192197947.db2.gz RQTZVDGWJKUTQL-HDMKZQKVSA-N 2 0 383.514 0.931 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652624638 1192257387 /nfs/dbraw/zinc/25/73/87/1192257387.db2.gz MCBWSDFKMKSFKI-MRXNPFEDSA-N 2 0 392.525 0.918 20 0 GCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605951523 1192268734 /nfs/dbraw/zinc/26/87/34/1192268734.db2.gz QKBYLEXXVHMCAC-KRWDZBQOSA-N 2 0 381.565 0.813 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000662386382 1192287651 /nfs/dbraw/zinc/28/76/51/1192287651.db2.gz GUMGFYWEZULJON-MRXNPFEDSA-N 2 0 383.500 0.954 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000162576052 1192297983 /nfs/dbraw/zinc/29/79/83/1192297983.db2.gz SKICPJRIYNHECZ-GOSISDBHSA-N 2 0 379.549 0.214 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000663434856 1192335838 /nfs/dbraw/zinc/33/58/38/1192335838.db2.gz ODSCEBKEGPFCMU-UHFFFAOYSA-N 2 0 397.564 0.683 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000663447096 1192341523 /nfs/dbraw/zinc/34/15/23/1192341523.db2.gz CENWNBXIWOTHQE-OALUTQOASA-N 2 0 375.517 0.121 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663451227 1192342822 /nfs/dbraw/zinc/34/28/22/1192342822.db2.gz APPVWUFGZWUFHC-SFHVURJKSA-N 2 0 375.517 0.922 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](c2ccccc2)O1 ZINC000563147624 1192360342 /nfs/dbraw/zinc/36/03/42/1192360342.db2.gz PFNCOBUZSGYSLC-IEBWSBKVSA-N 2 0 390.528 0.927 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652668048 1192390347 /nfs/dbraw/zinc/39/03/47/1192390347.db2.gz MCSUNTXQGVTCMZ-IPMKNSEASA-N 2 0 394.560 0.970 20 0 GCADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000663562301 1192391059 /nfs/dbraw/zinc/39/10/59/1192391059.db2.gz YULPGQPDXAYSCE-MOPGFXCFSA-N 2 0 381.565 0.811 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)C[C@H]1C[NH3+] ZINC000652668280 1192392865 /nfs/dbraw/zinc/39/28/65/1192392865.db2.gz VHEDBULIIYRDNL-GVDBMIGSSA-N 2 0 382.549 0.825 20 0 GCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000247419346 1192409040 /nfs/dbraw/zinc/40/90/40/1192409040.db2.gz NVHQRIGDVSYAAN-MHORFTMASA-N 2 0 382.549 0.600 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1NC(=O)CC[NH+](C)C ZINC000663612657 1192416573 /nfs/dbraw/zinc/41/65/73/1192416573.db2.gz SRGNEINECJGXJA-LJQANCHMSA-N 2 0 375.473 0.692 20 0 GCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)C2)C1 ZINC000652672775 1192420885 /nfs/dbraw/zinc/42/08/85/1192420885.db2.gz WBSCLRLPSGRIPA-RCCFBDPRSA-N 2 0 380.533 0.724 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652673310 1192429447 /nfs/dbraw/zinc/42/94/47/1192429447.db2.gz KUZWIADWCUDSLE-HVMFNXBNSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652673311 1192429989 /nfs/dbraw/zinc/42/99/89/1192429989.db2.gz KUZWIADWCUDSLE-ICBNADEASA-N 2 0 394.560 0.968 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673289 1192430422 /nfs/dbraw/zinc/43/04/22/1192430422.db2.gz KGXCYTLBGBCYIA-MWDXBVQZSA-N 2 0 382.549 0.681 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000279023292 1192440136 /nfs/dbraw/zinc/44/01/36/1192440136.db2.gz OVXGLSXRXMTRAE-MRXNPFEDSA-N 2 0 384.484 0.708 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000279046871 1192446257 /nfs/dbraw/zinc/44/62/57/1192446257.db2.gz RCBJIKHPVSHWQV-MRXNPFEDSA-N 2 0 384.484 0.708 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000981642278 1192458582 /nfs/dbraw/zinc/45/85/82/1192458582.db2.gz ZFYIHMHRRGVXRL-XMTFNYHQSA-N 2 0 392.544 0.735 20 0 GCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652677592 1192470325 /nfs/dbraw/zinc/47/03/25/1192470325.db2.gz ADHHEJJFWSZFTI-BZSNNMDCSA-N 2 0 380.533 0.579 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[NH+]1CCC(C)CC1 ZINC000652677884 1192475798 /nfs/dbraw/zinc/47/57/98/1192475798.db2.gz KZJMRYQJAPUXAJ-XWSJACJDSA-N 2 0 394.560 0.968 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1 ZINC000663722759 1192515433 /nfs/dbraw/zinc/51/54/33/1192515433.db2.gz LNSGADZGJRAGPJ-INIZCTEOSA-N 2 0 388.516 0.571 20 0 GCADRP C[N@H+](CCNC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1)Cc1ccccc1 ZINC000432534540 1192539135 /nfs/dbraw/zinc/53/91/35/1192539135.db2.gz LAZMDVXTHGOQIZ-RBUKOAKNSA-N 2 0 388.512 0.196 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000669232469 1192571529 /nfs/dbraw/zinc/57/15/29/1192571529.db2.gz LUUWLMYVRSVXKT-KRWDZBQOSA-N 2 0 380.533 0.594 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccn1 ZINC000512284431 1192599287 /nfs/dbraw/zinc/59/92/87/1192599287.db2.gz YNFACGGYWUMINN-MRXNPFEDSA-N 2 0 377.489 0.339 20 0 GCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261635583 1192618585 /nfs/dbraw/zinc/61/85/85/1192618585.db2.gz FGERIKIPOQZJMS-OAHLLOKOSA-N 2 0 394.463 0.863 20 0 GCADRP COCC1(CNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000418618933 1192619577 /nfs/dbraw/zinc/61/95/77/1192619577.db2.gz BAWMAFRSFYGKET-RTBURBONSA-N 2 0 390.528 0.937 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000418644620 1192623451 /nfs/dbraw/zinc/62/34/51/1192623451.db2.gz QHPQOIXVQWYRIA-IBGZPJMESA-N 2 0 387.528 0.885 20 0 GCADRP COC[C@@]1(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646889 1192623504 /nfs/dbraw/zinc/62/35/04/1192623504.db2.gz XKPGNBJJHSBEPP-PMACEKPBSA-N 2 0 376.501 0.691 20 0 GCADRP COC[C@]1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CCC[NH2+]1 ZINC000418657602 1192624820 /nfs/dbraw/zinc/62/48/20/1192624820.db2.gz RIEBKKCUQXSRIH-SFHLNBCPSA-N 2 0 390.528 0.937 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418754829 1192639518 /nfs/dbraw/zinc/63/95/18/1192639518.db2.gz FGQYRJSPQGKVJH-QYZOEREBSA-N 2 0 376.501 0.547 20 0 GCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418765029 1192640423 /nfs/dbraw/zinc/64/04/23/1192640423.db2.gz AVZVHGWETIHKAA-LJQANCHMSA-N 2 0 387.528 0.655 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418760187 1192641018 /nfs/dbraw/zinc/64/10/18/1192641018.db2.gz GYNZAEZTGVOMKH-KURKYZTESA-N 2 0 375.517 0.702 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418760245 1192641200 /nfs/dbraw/zinc/64/12/00/1192641200.db2.gz JWWAQSPSVOHEEH-OTWHNJEPSA-N 2 0 375.517 0.072 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000418786440 1192643727 /nfs/dbraw/zinc/64/37/27/1192643727.db2.gz RVLHMYZURDDILY-LJQANCHMSA-N 2 0 387.528 0.559 20 0 GCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418782006 1192643952 /nfs/dbraw/zinc/64/39/52/1192643952.db2.gz DDHHFBONZSJDOU-XQYHGENGSA-N 2 0 377.533 0.779 20 0 GCADRP [NH3+][C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000418789967 1192644067 /nfs/dbraw/zinc/64/40/67/1192644067.db2.gz XHBRMBLAQPDLNC-IBGZPJMESA-N 2 0 387.528 0.559 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000418788151 1192644081 /nfs/dbraw/zinc/64/40/81/1192644081.db2.gz VENAEDYFJJRVEU-SFHVURJKSA-N 2 0 387.528 0.525 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418781452 1192644779 /nfs/dbraw/zinc/64/47/79/1192644779.db2.gz MGOFIFNQBNOJIY-UHFFFAOYSA-N 2 0 399.539 0.741 20 0 GCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418793851 1192645967 /nfs/dbraw/zinc/64/59/67/1192645967.db2.gz ARMXCFQNFYNWJS-QGZVFWFLSA-N 2 0 380.533 0.644 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418800238 1192648462 /nfs/dbraw/zinc/64/84/62/1192648462.db2.gz ITIDQUFNLVLZLM-QZTJIDSGSA-N 2 0 394.560 0.971 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCCC1 ZINC000418807625 1192650433 /nfs/dbraw/zinc/65/04/33/1192650433.db2.gz PWTTWPMIWUONNR-ZWKOTPCHSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418813630 1192653437 /nfs/dbraw/zinc/65/34/37/1192653437.db2.gz YWTLSEDWMRFMDF-IRXDYDNUSA-N 2 0 380.533 0.581 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C)cc1OC ZINC000418822145 1192655478 /nfs/dbraw/zinc/65/54/78/1192655478.db2.gz AJCLQXPCIFSNLT-GJZGRUSLSA-N 2 0 380.489 0.522 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)[NH+](C)C)cc1OC ZINC000418827259 1192656984 /nfs/dbraw/zinc/65/69/84/1192656984.db2.gz GOQPMPJWNCZYSI-IMJJTQAJSA-N 2 0 392.500 0.618 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000418823685 1192656426 /nfs/dbraw/zinc/65/64/26/1192656426.db2.gz CGYDRQNFSUDQIJ-QXAKKESOSA-N 2 0 388.512 0.589 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)[NH+](C)C)cc1OC ZINC000418828786 1192658075 /nfs/dbraw/zinc/65/80/75/1192658075.db2.gz ICKFOVMQTYMDHC-BPUTZDHNSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[NH+](C)C)cc1OC ZINC000418828449 1192658167 /nfs/dbraw/zinc/65/81/67/1192658167.db2.gz HYXYLLMDWQUSDJ-UKRRQHHQSA-N 2 0 378.473 0.243 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000418831376 1192659499 /nfs/dbraw/zinc/65/94/99/1192659499.db2.gz GEQIPCJGIZYPPD-NVXWUHKLSA-N 2 0 390.484 0.134 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[NH+](C)C)cc1OC ZINC000418832195 1192659570 /nfs/dbraw/zinc/65/95/70/1192659570.db2.gz LUVZSCUUXOVDIN-LSDHHAIUSA-N 2 0 378.473 0.276 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)[NH+](C)C)cc1OC ZINC000418837351 1192662703 /nfs/dbraw/zinc/66/27/03/1192662703.db2.gz SMPPMFMFAGHESW-HNNXBMFYSA-N 2 0 378.473 0.245 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[NH+](C)C)cc1OC ZINC000418836192 1192660924 /nfs/dbraw/zinc/66/09/24/1192660924.db2.gz QTNQPMYYCDNCGK-HIFRSBDPSA-N 2 0 378.473 0.243 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000418837591 1192662794 /nfs/dbraw/zinc/66/27/94/1192662794.db2.gz AWMXPPMXZIEUNO-HDICACEKSA-N 2 0 387.528 0.129 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[NH+](C)C)cc1OC ZINC000418841976 1192663267 /nfs/dbraw/zinc/66/32/67/1192663267.db2.gz ZKQVKTKVDOSVQB-DZKIICNBSA-N 2 0 392.500 0.632 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000418840565 1192663514 /nfs/dbraw/zinc/66/35/14/1192663514.db2.gz FMDKCWPEQNJREK-PKOBYXMFSA-N 2 0 387.528 0.116 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[NH+](C)C)c1 ZINC000418847295 1192665269 /nfs/dbraw/zinc/66/52/69/1192665269.db2.gz HTIYHSWHYVOLQN-WNHJNPCNSA-N 2 0 388.512 1.000 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000418849293 1192667705 /nfs/dbraw/zinc/66/77/05/1192667705.db2.gz MLGQLXFILTVNJY-WBVHZDCISA-N 2 0 376.501 0.920 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCCC1 ZINC000418857331 1192668205 /nfs/dbraw/zinc/66/82/05/1192668205.db2.gz YVJKPONRVGLJSW-GOSISDBHSA-N 2 0 386.496 0.984 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)[NH+](C)C)c1 ZINC000418858102 1192668891 /nfs/dbraw/zinc/66/88/91/1192668891.db2.gz IMXWAQRGRTUUTF-HFTRVMKXSA-N 2 0 376.501 1.000 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)c1 ZINC000418875006 1192673984 /nfs/dbraw/zinc/67/39/84/1192673984.db2.gz JVASGJIFHBYYSE-SCTDSRPQSA-N 2 0 386.496 0.626 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418857952 1192669460 /nfs/dbraw/zinc/66/94/60/1192669460.db2.gz IHSSTTZZSOMSBZ-LESCRADOSA-N 2 0 376.501 0.857 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418865394 1192669741 /nfs/dbraw/zinc/66/97/41/1192669741.db2.gz RTCVBMRACFSFHI-IBGZPJMESA-N 2 0 387.528 0.131 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418860667 1192670620 /nfs/dbraw/zinc/67/06/20/1192670620.db2.gz MADAYNUNHZMJCQ-QRVBRYPASA-N 2 0 388.512 0.904 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])[NH+](C)C)c1 ZINC000418863305 1192671632 /nfs/dbraw/zinc/67/16/32/1192671632.db2.gz PGPXUBOCRRAXOO-NJAFHUGGSA-N 2 0 392.500 0.379 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418863332 1192671677 /nfs/dbraw/zinc/67/16/77/1192671677.db2.gz PIFPNCURUDHPNQ-YLJYHZDGSA-N 2 0 376.501 0.920 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000418864889 1192672121 /nfs/dbraw/zinc/67/21/21/1192672121.db2.gz RAWHXXGMBABFGS-QZTJIDSGSA-N 2 0 376.501 0.762 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418864893 1192672190 /nfs/dbraw/zinc/67/21/90/1192672190.db2.gz RAWHXXGMBABFGS-ZWKOTPCHSA-N 2 0 376.501 0.762 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418864891 1192672285 /nfs/dbraw/zinc/67/22/85/1192672285.db2.gz RAWHXXGMBABFGS-ROUUACIJSA-N 2 0 376.501 0.762 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418869748 1192672754 /nfs/dbraw/zinc/67/27/54/1192672754.db2.gz XHCKQYUAGRHPNA-MJGOQNOKSA-N 2 0 387.528 0.116 20 0 GCADRP C[C@H]([NH2+]C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000418870393 1192673254 /nfs/dbraw/zinc/67/32/54/1192673254.db2.gz UAIAEUYWWXYVIJ-WMZOPIPTSA-N 2 0 388.512 0.871 20 0 GCADRP [NH3+][C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000418883293 1192678350 /nfs/dbraw/zinc/67/83/50/1192678350.db2.gz USGHOURRECCZDA-WOJBJXKFSA-N 2 0 396.491 0.686 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCCO1 ZINC000418884205 1192678622 /nfs/dbraw/zinc/67/86/22/1192678622.db2.gz WKZJOJUJVLICDS-KRWDZBQOSA-N 2 0 376.501 0.591 20 0 GCADRP [NH3+][C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000418883291 1192678885 /nfs/dbraw/zinc/67/88/85/1192678885.db2.gz USGHOURRECCZDA-UXHICEINSA-N 2 0 396.491 0.686 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418884174 1192678986 /nfs/dbraw/zinc/67/89/86/1192678986.db2.gz WGJXAMOZYZIJRS-RTBURBONSA-N 2 0 388.512 0.470 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418884172 1192679349 /nfs/dbraw/zinc/67/93/49/1192679349.db2.gz WGJXAMOZYZIJRS-RBUKOAKNSA-N 2 0 388.512 0.470 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H]1C[NH3+] ZINC000418878613 1192674531 /nfs/dbraw/zinc/67/45/31/1192674531.db2.gz LQSZAUYDXBPFJB-AYOQOUSVSA-N 2 0 388.512 0.455 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000418878716 1192674879 /nfs/dbraw/zinc/67/48/79/1192674879.db2.gz LYUVDKGRVMFCGJ-GOSISDBHSA-N 2 0 388.512 0.647 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418877407 1192674960 /nfs/dbraw/zinc/67/49/60/1192674960.db2.gz ORUSLGDLFOCOJC-OKZBNKHCSA-N 2 0 376.501 0.240 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CC[NH2+]C1 ZINC000418883888 1192679415 /nfs/dbraw/zinc/67/94/15/1192679415.db2.gz VUMYTBASSUYGOG-OALUTQOASA-N 2 0 388.512 0.470 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@@H]1C[NH3+] ZINC000418877807 1192676223 /nfs/dbraw/zinc/67/62/23/1192676223.db2.gz KJNYNXIUWGHEKY-MNEFBYGVSA-N 2 0 388.512 0.313 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCCO1 ZINC000418883610 1192679511 /nfs/dbraw/zinc/67/95/11/1192679511.db2.gz VGZZCEPLNQWPLB-WMZOPIPTSA-N 2 0 380.533 0.594 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000418930327 1192693677 /nfs/dbraw/zinc/69/36/77/1192693677.db2.gz BQPPTWRKXQAHQL-QGZVFWFLSA-N 2 0 395.548 0.072 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)ccn1 ZINC000418948569 1192698978 /nfs/dbraw/zinc/69/89/78/1192698978.db2.gz CMHNESPWQBTTNE-INIZCTEOSA-N 2 0 391.516 0.533 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000418948851 1192699276 /nfs/dbraw/zinc/69/92/76/1192699276.db2.gz OVUKFKYSXABQLV-ZOBUZTSGSA-N 2 0 376.501 0.852 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000418950435 1192699937 /nfs/dbraw/zinc/69/99/37/1192699937.db2.gz HHRKVKNZRCNUJV-HNNXBMFYSA-N 2 0 377.489 0.226 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418953171 1192700701 /nfs/dbraw/zinc/70/07/01/1192700701.db2.gz KZKDSKOTPWQUAJ-GOEBONIOSA-N 2 0 377.489 0.367 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418955861 1192701696 /nfs/dbraw/zinc/70/16/96/1192701696.db2.gz RFEACGHNYAEXOK-ORQFMDKSSA-N 2 0 396.532 0.100 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000418996789 1192711795 /nfs/dbraw/zinc/71/17/95/1192711795.db2.gz KOAUFIUMCOQRRR-NVXWUHKLSA-N 2 0 376.501 0.854 20 0 GCADRP CO[C@H](CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000418996705 1192712032 /nfs/dbraw/zinc/71/20/32/1192712032.db2.gz RBQQJAOJEKIJNQ-GOSISDBHSA-N 2 0 390.528 0.883 20 0 GCADRP CO[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000418996708 1192712188 /nfs/dbraw/zinc/71/21/88/1192712188.db2.gz RBQQJAOJEKIJNQ-SFHVURJKSA-N 2 0 390.528 0.883 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419021269 1192725977 /nfs/dbraw/zinc/72/59/77/1192725977.db2.gz GQLQTFBTHVXCDU-NEPXVJNWSA-N 2 0 394.560 0.968 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419025637 1192727688 /nfs/dbraw/zinc/72/76/88/1192727688.db2.gz MLULUPOHFXPVNS-VVLHAWIVSA-N 2 0 382.549 0.824 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419032559 1192733228 /nfs/dbraw/zinc/73/32/28/1192733228.db2.gz WAWMOEVTWLCLSA-WMLDXEAASA-N 2 0 376.501 0.984 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419030529 1192733209 /nfs/dbraw/zinc/73/32/09/1192733209.db2.gz HVMGDGUGAJLDLG-INIZCTEOSA-N 2 0 382.574 0.922 20 0 GCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C1 ZINC000419033892 1192733895 /nfs/dbraw/zinc/73/38/95/1192733895.db2.gz XRRKYVYZVVJKNY-YTQUADARSA-N 2 0 388.512 0.857 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[NH+]4C[C@@H]3C)CC2)CCO1 ZINC000410592317 1192736821 /nfs/dbraw/zinc/73/68/21/1192736821.db2.gz YJBGNCPPCICQFB-LZLYRXPVSA-N 2 0 378.517 0.393 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000419039827 1192737503 /nfs/dbraw/zinc/73/75/03/1192737503.db2.gz HTVATEZNARPNHD-KRWDZBQOSA-N 2 0 390.528 0.980 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000419040501 1192737530 /nfs/dbraw/zinc/73/75/30/1192737530.db2.gz MPSRPPOMQHIBBO-MHORFTMASA-N 2 0 380.533 0.593 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419052460 1192749881 /nfs/dbraw/zinc/74/98/81/1192749881.db2.gz DFFBCDWQJVMCGX-GUDVDZBRSA-N 2 0 390.528 0.739 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000419074758 1192773082 /nfs/dbraw/zinc/77/30/82/1192773082.db2.gz MGSQYRUIKYCWOQ-MSOLQXFVSA-N 2 0 392.500 0.299 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419084447 1192779235 /nfs/dbraw/zinc/77/92/35/1192779235.db2.gz YNZMYEABDALBLB-SJORKVTESA-N 2 0 395.548 0.213 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419098527 1192784548 /nfs/dbraw/zinc/78/45/48/1192784548.db2.gz CJSIAKSNIYYMLB-QZTJIDSGSA-N 2 0 388.512 0.508 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419098529 1192784648 /nfs/dbraw/zinc/78/46/48/1192784648.db2.gz CJSIAKSNIYYMLB-ZWKOTPCHSA-N 2 0 388.512 0.508 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000419121751 1192794939 /nfs/dbraw/zinc/79/49/39/1192794939.db2.gz VIXRXROUODZVTC-IAGOWNOFSA-N 2 0 388.516 0.083 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)cn2)CC1 ZINC000419123685 1192796349 /nfs/dbraw/zinc/79/63/49/1192796349.db2.gz YRLNWBWOJSQVAB-QGZVFWFLSA-N 2 0 388.516 0.083 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419125048 1192796936 /nfs/dbraw/zinc/79/69/36/1192796936.db2.gz YSIGBSJVWGWXOJ-ZBFHGGJFSA-N 2 0 389.500 0.917 20 0 GCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000419113365 1192799748 /nfs/dbraw/zinc/79/97/48/1192799748.db2.gz WBAMOGBWVSOSAW-SFHVURJKSA-N 2 0 388.512 0.627 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000419138111 1192803038 /nfs/dbraw/zinc/80/30/38/1192803038.db2.gz SCXXDADHQXFAEC-DNVCBOLYSA-N 2 0 388.512 0.829 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000419138281 1192803047 /nfs/dbraw/zinc/80/30/47/1192803047.db2.gz SFCCRTUIBWIREH-GOSISDBHSA-N 2 0 388.512 0.844 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000419130927 1192805609 /nfs/dbraw/zinc/80/56/09/1192805609.db2.gz BOMKIHMQWDMRFK-NVXWUHKLSA-N 2 0 376.501 0.687 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000419130957 1192805619 /nfs/dbraw/zinc/80/56/19/1192805619.db2.gz BPEOSGGIBYOGCH-WBAXXEDZSA-N 2 0 376.501 0.713 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000419130955 1192805746 /nfs/dbraw/zinc/80/57/46/1192805746.db2.gz BPEOSGGIBYOGCH-JLSDUUJJSA-N 2 0 376.501 0.713 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000410673328 1192806771 /nfs/dbraw/zinc/80/67/71/1192806771.db2.gz JTWAFLONLBSHCM-SJLPKXTDSA-N 2 0 382.549 0.744 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419138639 1192811804 /nfs/dbraw/zinc/81/18/04/1192811804.db2.gz SWPYXTSBSTUAEP-GOSISDBHSA-N 2 0 388.512 0.892 20 0 GCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000419142448 1192813139 /nfs/dbraw/zinc/81/31/39/1192813139.db2.gz BZXREQOKETVRAX-FUHWJXTLSA-N 2 0 376.476 0.927 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000419141088 1192813164 /nfs/dbraw/zinc/81/31/64/1192813164.db2.gz AOSPKRDWECWZJN-BHIYHBOVSA-N 2 0 394.560 0.968 20 0 GCADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419159117 1192817514 /nfs/dbraw/zinc/81/75/14/1192817514.db2.gz YTVQHLVQYFDZJH-IYBDPMFKSA-N 2 0 376.526 0.754 20 0 GCADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419161398 1192818921 /nfs/dbraw/zinc/81/89/21/1192818921.db2.gz DMDUNJIBYBDMDA-QRVBRYPASA-N 2 0 386.496 0.214 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419161669 1192820379 /nfs/dbraw/zinc/82/03/79/1192820379.db2.gz FAUFSADPXUNKHF-RBUKOAKNSA-N 2 0 388.512 0.604 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCC(C)CC1 ZINC000419162033 1192820607 /nfs/dbraw/zinc/82/06/07/1192820607.db2.gz SWGJZPBXBPYSCU-SJORKVTESA-N 2 0 395.548 0.069 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419163554 1192820985 /nfs/dbraw/zinc/82/09/85/1192820985.db2.gz LOYOQKAMEKYVFG-RTBURBONSA-N 2 0 390.528 0.754 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419162834 1192821309 /nfs/dbraw/zinc/82/13/09/1192821309.db2.gz ICKSGNKGRPYOAR-GOSISDBHSA-N 2 0 376.501 0.510 20 0 GCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163020 1192821640 /nfs/dbraw/zinc/82/16/40/1192821640.db2.gz IOWRXASHSHQLJO-QRVBRYPASA-N 2 0 388.512 0.637 20 0 GCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163021 1192821819 /nfs/dbraw/zinc/82/18/19/1192821819.db2.gz IOWRXASHSHQLJO-QYZOEREBSA-N 2 0 388.512 0.637 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419166096 1192822428 /nfs/dbraw/zinc/82/24/28/1192822428.db2.gz OHUVUJNAZJZLEN-SFHVURJKSA-N 2 0 376.501 0.462 20 0 GCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419166576 1192822858 /nfs/dbraw/zinc/82/28/58/1192822858.db2.gz HMINNAYVKIXZKO-DLBZAZTESA-N 2 0 395.548 0.071 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCC(C)CC1 ZINC000419156079 1192824767 /nfs/dbraw/zinc/82/47/67/1192824767.db2.gz JDWWCAOQHZNGOY-RDJZCZTQSA-N 2 0 391.520 0.137 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419171368 1192825674 /nfs/dbraw/zinc/82/56/74/1192825674.db2.gz XNOKPSMUXNEQQD-GOSISDBHSA-N 2 0 390.528 0.837 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419172286 1192825700 /nfs/dbraw/zinc/82/57/00/1192825700.db2.gz YWVNAYOBWTZETP-MOPGFXCFSA-N 2 0 390.528 0.883 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419167664 1192829570 /nfs/dbraw/zinc/82/95/70/1192829570.db2.gz QRYQWCLMVZCBEX-SJLPKXTDSA-N 2 0 376.501 0.365 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000419194788 1192832502 /nfs/dbraw/zinc/83/25/02/1192832502.db2.gz UEBJMAJARUQCEF-VQIMIIECSA-N 2 0 388.512 0.782 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419196444 1192832591 /nfs/dbraw/zinc/83/25/91/1192832591.db2.gz BAADJNISYHDBNN-MAUKXSAKSA-N 2 0 376.501 0.972 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000419196042 1192832633 /nfs/dbraw/zinc/83/26/33/1192832633.db2.gz ALVHXIDANCICLC-RDJZCZTQSA-N 2 0 376.501 0.687 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181034 1192833545 /nfs/dbraw/zinc/83/35/45/1192833545.db2.gz KLOLVNHWCZUCRF-MSOLQXFVSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000419185461 1192834874 /nfs/dbraw/zinc/83/48/74/1192834874.db2.gz DKCNCXKVILWWNT-AEFFLSMTSA-N 2 0 376.501 0.508 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000419197739 1192837944 /nfs/dbraw/zinc/83/79/44/1192837944.db2.gz CAMZGXQPCWDPPB-MDZRGWNJSA-N 2 0 388.512 0.862 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000419200386 1192839576 /nfs/dbraw/zinc/83/95/76/1192839576.db2.gz FFOBDHHVQPCVKE-WMZOPIPTSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)cc2)C[C@H](C)O1 ZINC000419201201 1192842082 /nfs/dbraw/zinc/84/20/82/1192842082.db2.gz FXHPTEMJZGJXEK-IYBDPMFKSA-N 2 0 388.512 0.910 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000419201775 1192843042 /nfs/dbraw/zinc/84/30/42/1192843042.db2.gz GJPVAZRBBWEBQF-MDZRGWNJSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419201774 1192843301 /nfs/dbraw/zinc/84/33/01/1192843301.db2.gz GJPVAZRBBWEBQF-JTDSTZFVSA-N 2 0 388.512 0.780 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893741581 1192848055 /nfs/dbraw/zinc/84/80/55/1192848055.db2.gz SKBDUMDRINLCST-WTGUMLROSA-N 2 0 394.560 0.995 20 0 GCADRP CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@H+](C)CC1 ZINC000893740869 1192846692 /nfs/dbraw/zinc/84/66/92/1192846692.db2.gz MHPIDIATJWGCES-OALUTQOASA-N 2 0 381.565 0.643 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000419204119 1192847255 /nfs/dbraw/zinc/84/72/55/1192847255.db2.gz IEMYFTMKCNNPGL-UHOSZYNNSA-N 2 0 388.512 0.829 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893741578 1192847966 /nfs/dbraw/zinc/84/79/66/1192847966.db2.gz SKBDUMDRINLCST-HAGHYFMRSA-N 2 0 394.560 0.995 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCO1 ZINC000419205440 1192852811 /nfs/dbraw/zinc/85/28/11/1192852811.db2.gz KVDWSIMTSQBWDP-IBGZPJMESA-N 2 0 388.512 0.865 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)C1 ZINC000419204787 1192857890 /nfs/dbraw/zinc/85/78/90/1192857890.db2.gz JEYJDGBMIGLSGY-QFBILLFUSA-N 2 0 388.512 0.721 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419209907 1192895280 /nfs/dbraw/zinc/89/52/80/1192895280.db2.gz XDFIIDAWNIZZBJ-NZSAHSFTSA-N 2 0 390.528 0.978 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000410779766 1192901217 /nfs/dbraw/zinc/90/12/17/1192901217.db2.gz MKXXQTYQCCORKV-QRVBRYPASA-N 2 0 394.560 0.888 20 0 GCADRP [NH3+]CCN(CCO)C(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000419212036 1192902136 /nfs/dbraw/zinc/90/21/36/1192902136.db2.gz YWRPXMXWNSKIII-UHFFFAOYSA-N 2 0 376.501 0.458 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000419213104 1192902520 /nfs/dbraw/zinc/90/25/20/1192902520.db2.gz KZICNFJLUBTZPC-FGTMMUONSA-N 2 0 388.512 0.748 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419214127 1192907679 /nfs/dbraw/zinc/90/76/79/1192907679.db2.gz MJGUIOWCPNTWFO-DOTOQJQBSA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000419216443 1192914852 /nfs/dbraw/zinc/91/48/52/1192914852.db2.gz POQNLHTWZIEOLK-FQEVSTJZSA-N 2 0 376.501 0.749 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000663877554 1192917595 /nfs/dbraw/zinc/91/75/95/1192917595.db2.gz ZMIVPXDTYSLVKE-UHFFFAOYSA-N 2 0 396.580 0.206 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)CC2)CC1 ZINC000663877087 1192917600 /nfs/dbraw/zinc/91/76/00/1192917600.db2.gz QRZSAOXTZLLJFV-HXUWFJFHSA-N 2 0 393.576 0.786 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC[NH2+]1 ZINC000419218201 1192917959 /nfs/dbraw/zinc/91/79/59/1192917959.db2.gz RUJBDPZYWVJMNK-IKGGRYGDSA-N 2 0 388.512 0.732 20 0 GCADRP COC(=O)CCN1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H](C)C1 ZINC000410939567 1192918188 /nfs/dbraw/zinc/91/81/88/1192918188.db2.gz VDZKJXKRSJETMG-DLBZAZTESA-N 2 0 394.516 0.027 20 0 GCADRP CNS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000274522780 1184086021 /nfs/dbraw/zinc/08/60/21/1184086021.db2.gz ONTVZBHABJWAEK-UHFFFAOYSA-N 2 0 385.534 0.335 20 0 GCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579691385 1184090009 /nfs/dbraw/zinc/09/00/09/1184090009.db2.gz OQJKMYKGYXEAOS-HXUWFJFHSA-N 2 0 399.539 0.898 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000579714609 1184103100 /nfs/dbraw/zinc/10/31/00/1184103100.db2.gz HBKPYJQSKAUMAO-GJZGRUSLSA-N 2 0 380.514 0.984 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000274621044 1184124212 /nfs/dbraw/zinc/12/42/12/1184124212.db2.gz FVWYRCDRDGMKSN-INIZCTEOSA-N 2 0 382.505 0.920 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000654748610 1184125403 /nfs/dbraw/zinc/12/54/03/1184125403.db2.gz BADSSGQXBHUECK-UHFFFAOYSA-N 2 0 386.500 0.666 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000642683245 1184186030 /nfs/dbraw/zinc/18/60/30/1184186030.db2.gz KFLYYMUIFBFJPH-APWZRJJASA-N 2 0 388.512 0.384 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000643553790 1184208418 /nfs/dbraw/zinc/20/84/18/1184208418.db2.gz PLICDIDCULDXCV-KZNAEPCWSA-N 2 0 380.533 0.720 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000579814727 1184247907 /nfs/dbraw/zinc/24/79/07/1184247907.db2.gz IYKFYWYYNGCTHA-IRXDYDNUSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000579814726 1184248366 /nfs/dbraw/zinc/24/83/66/1184248366.db2.gz IYKFYWYYNGCTHA-IAGOWNOFSA-N 2 0 379.549 0.119 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000471168005 1184319181 /nfs/dbraw/zinc/31/91/81/1184319181.db2.gz GCWIERHMUPXSIX-INIZCTEOSA-N 2 0 390.532 0.648 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000179449866 1184384827 /nfs/dbraw/zinc/38/48/27/1184384827.db2.gz VFARITUUHCCCBE-IBGZPJMESA-N 2 0 377.533 0.948 20 0 GCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000471197226 1184407817 /nfs/dbraw/zinc/40/78/17/1184407817.db2.gz UMVGZRHYCCTARC-UHFFFAOYSA-N 2 0 397.545 0.232 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419063066 1184508222 /nfs/dbraw/zinc/50/82/22/1184508222.db2.gz WNKVPKWJWMNWSN-QZTJIDSGSA-N 2 0 376.501 0.318 20 0 GCADRP CC[N@H+](CCC(=O)N1CCN(C)CC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000275196125 1184549019 /nfs/dbraw/zinc/54/90/19/1184549019.db2.gz DYJLMVKWOQUZLI-UHFFFAOYSA-N 2 0 390.484 0.882 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc(O)c1 ZINC000275266397 1184570583 /nfs/dbraw/zinc/57/05/83/1184570583.db2.gz IVMDLMDBZXWYLJ-QGZVFWFLSA-N 2 0 376.501 0.997 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000610250341 1184575402 /nfs/dbraw/zinc/57/54/02/1184575402.db2.gz UUBDAUUDDAWSMH-HKUYNNGSSA-N 2 0 379.549 0.166 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642729095 1184754959 /nfs/dbraw/zinc/75/49/59/1184754959.db2.gz FLHQAHYWIGJBJP-YTQUADARSA-N 2 0 387.528 0.115 20 0 GCADRP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000642729485 1184783841 /nfs/dbraw/zinc/78/38/41/1184783841.db2.gz PUDYMJCUSOWUSG-MOPGFXCFSA-N 2 0 388.512 0.650 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+](C)C1 ZINC000413393535 1184815366 /nfs/dbraw/zinc/81/53/66/1184815366.db2.gz LDRRVPFICFYYJT-NXHRZFHOSA-N 2 0 396.532 0.501 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCCO1 ZINC000642733058 1184818513 /nfs/dbraw/zinc/81/85/13/1184818513.db2.gz WRYJCDCXOAGZRC-OALUTQOASA-N 2 0 388.512 0.906 20 0 GCADRP CC(C)OCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143378933 1184819584 /nfs/dbraw/zinc/81/95/84/1184819584.db2.gz HDUAHEKTQOYHKJ-YDRHNJASSA-N 2 0 389.537 0.707 20 0 GCADRP CC1([NH3+])CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000642735274 1184829512 /nfs/dbraw/zinc/82/95/12/1184829512.db2.gz QTCPRUOIYDSXOV-UHFFFAOYSA-N 2 0 387.528 0.655 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642735261 1184829885 /nfs/dbraw/zinc/82/98/85/1184829885.db2.gz KKABYURNVJEFPV-QUCCMNQESA-N 2 0 399.539 0.525 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642735272 1184829915 /nfs/dbraw/zinc/82/99/15/1184829915.db2.gz OPSCUQPKLKHUQS-GOSISDBHSA-N 2 0 387.528 0.573 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000275634761 1184844435 /nfs/dbraw/zinc/84/44/35/1184844435.db2.gz CSJXSRYMDWUAHY-UHFFFAOYSA-N 2 0 376.457 0.838 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000275638146 1184847505 /nfs/dbraw/zinc/84/75/05/1184847505.db2.gz OBPKYHHKBLXDSB-UHFFFAOYSA-N 2 0 375.517 0.483 20 0 GCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000655909909 1184859694 /nfs/dbraw/zinc/85/96/94/1184859694.db2.gz PDZHQRBSDPGWLM-QGZVFWFLSA-N 2 0 389.504 0.605 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000579992864 1184893990 /nfs/dbraw/zinc/89/39/90/1184893990.db2.gz ZNMKHSRTSVKEHM-UHFFFAOYSA-N 2 0 395.451 0.730 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000655974154 1184909931 /nfs/dbraw/zinc/90/99/31/1184909931.db2.gz NGQNQVONOMGDHV-KZNAEPCWSA-N 2 0 377.533 0.857 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCO1 ZINC000642761473 1184925917 /nfs/dbraw/zinc/92/59/17/1184925917.db2.gz KYZOEEAQRVTYQF-QBYUYEEZSA-N 2 0 394.541 0.822 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000656104105 1185030747 /nfs/dbraw/zinc/03/07/47/1185030747.db2.gz HJDILDIXTLUWQG-MRXNPFEDSA-N 2 0 395.548 0.165 20 0 GCADRP COc1ccc([C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1OC ZINC000580052051 1185034377 /nfs/dbraw/zinc/03/43/77/1185034377.db2.gz BBXVKZNTTMXURV-HNNXBMFYSA-N 2 0 393.488 0.038 20 0 GCADRP [NH3+][C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000580054219 1185035818 /nfs/dbraw/zinc/03/58/18/1185035818.db2.gz SBLQEXFBUPJTQX-XHSDSOJGSA-N 2 0 385.434 0.959 20 0 GCADRP Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000580080820 1185053912 /nfs/dbraw/zinc/05/39/12/1185053912.db2.gz SIHPMCBPXMMMJQ-GOSISDBHSA-N 2 0 380.558 0.891 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC[C@H]21 ZINC000580165403 1185099536 /nfs/dbraw/zinc/09/95/36/1185099536.db2.gz GCDPANVURNEEAL-RTBURBONSA-N 2 0 392.544 0.500 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580196338 1185114888 /nfs/dbraw/zinc/11/48/88/1185114888.db2.gz GJCQYIJWKBKPOO-BQFCYCMXSA-N 2 0 376.501 0.636 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000275807401 1185115590 /nfs/dbraw/zinc/11/55/90/1185115590.db2.gz DKAOWBLDVUOAMA-HNNXBMFYSA-N 2 0 390.532 0.722 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580309379 1185151029 /nfs/dbraw/zinc/15/10/29/1185151029.db2.gz UMXGPZRUBKWWRW-KSZLIROESA-N 2 0 379.549 0.262 20 0 GCADRP Cc1cc(O)cc(=O)n1CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275846686 1185179581 /nfs/dbraw/zinc/17/95/81/1185179581.db2.gz VQEHJJYATIFAJH-UHFFFAOYSA-N 2 0 399.495 0.976 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000580445358 1185233114 /nfs/dbraw/zinc/23/31/14/1185233114.db2.gz UVRROIAHXHDCGY-HOTGVXAUSA-N 2 0 391.516 0.493 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000580491332 1185251235 /nfs/dbraw/zinc/25/12/35/1185251235.db2.gz JWRVTBUUNILOTQ-MSOLQXFVSA-N 2 0 382.549 0.717 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)C ZINC000580491333 1185251879 /nfs/dbraw/zinc/25/18/79/1185251879.db2.gz JWRVTBUUNILOTQ-QZTJIDSGSA-N 2 0 382.549 0.717 20 0 GCADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275905724 1185265894 /nfs/dbraw/zinc/26/58/94/1185265894.db2.gz IWAQITMXNNUUIA-CVEARBPZSA-N 2 0 376.505 0.432 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)c1 ZINC000580575332 1185278373 /nfs/dbraw/zinc/27/83/73/1185278373.db2.gz NJWCZMOPXSZAPA-UHFFFAOYSA-N 2 0 375.473 0.326 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000580644297 1185296107 /nfs/dbraw/zinc/29/61/07/1185296107.db2.gz OBBDZLXEGZUFAA-ARFHVFGLSA-N 2 0 391.520 0.707 20 0 GCADRP C[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(F)cc2)(N2CCOCC2)CC1 ZINC000580709695 1185309690 /nfs/dbraw/zinc/30/96/90/1185309690.db2.gz LKAUIPTUFPJIIZ-SFHVURJKSA-N 2 0 381.492 0.952 20 0 GCADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)(N2CCOCC2)CC1 ZINC000580709694 1185310095 /nfs/dbraw/zinc/31/00/95/1185310095.db2.gz LKAUIPTUFPJIIZ-GOSISDBHSA-N 2 0 381.492 0.952 20 0 GCADRP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)ccn2)CC1 ZINC000580718269 1185312658 /nfs/dbraw/zinc/31/26/58/1185312658.db2.gz SEIFMNXLXILXSS-KRWDZBQOSA-N 2 0 384.488 0.361 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656293609 1185352608 /nfs/dbraw/zinc/35/26/08/1185352608.db2.gz KZVOOJZMDNCZDA-ROUUACIJSA-N 2 0 379.549 0.262 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656296551 1185356875 /nfs/dbraw/zinc/35/68/75/1185356875.db2.gz LCGWNAKYGFVVQR-ZWKOTPCHSA-N 2 0 379.549 0.263 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656296548 1185356905 /nfs/dbraw/zinc/35/69/05/1185356905.db2.gz LCGWNAKYGFVVQR-MSOLQXFVSA-N 2 0 379.549 0.263 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000656306895 1185380932 /nfs/dbraw/zinc/38/09/32/1185380932.db2.gz KQYLDXDVZPTQAK-MRXNPFEDSA-N 2 0 395.548 0.023 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000580831015 1185390371 /nfs/dbraw/zinc/39/03/71/1185390371.db2.gz AULAXYLQXJTADM-IBGZPJMESA-N 2 0 387.528 0.492 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000580850907 1185396051 /nfs/dbraw/zinc/39/60/51/1185396051.db2.gz VACJXXFGAIDOCI-MRXNPFEDSA-N 2 0 380.533 0.689 20 0 GCADRP Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001707885944 1185402179 /nfs/dbraw/zinc/40/21/79/1185402179.db2.gz CJVRRHLXVBQMAH-AZUAARDMSA-N 2 0 391.564 0.258 20 0 GCADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000580915505 1185417208 /nfs/dbraw/zinc/41/72/08/1185417208.db2.gz WVVLFFLEOCXXQC-KRWDZBQOSA-N 2 0 375.517 0.381 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356461 1185456859 /nfs/dbraw/zinc/45/68/59/1185456859.db2.gz DMTIKFPNOMEVQD-WDSOQIARSA-N 2 0 392.544 0.831 20 0 GCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152428 1185503751 /nfs/dbraw/zinc/50/37/51/1185503751.db2.gz DITWWIKPHURCRX-GOSISDBHSA-N 3 0 395.592 0.707 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000581183032 1185525926 /nfs/dbraw/zinc/52/59/26/1185525926.db2.gz NWNPDQVSRGAGBS-BVPBIZIASA-N 2 0 378.517 0.079 20 0 GCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)CC1 ZINC000558216919 1185531697 /nfs/dbraw/zinc/53/16/97/1185531697.db2.gz JPPYDNZZDQGZTC-MOPGFXCFSA-N 2 0 393.576 0.319 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000625464718 1185544239 /nfs/dbraw/zinc/54/42/39/1185544239.db2.gz BNRXOMQGKHPJBS-GOSISDBHSA-N 3 0 381.565 0.461 20 0 GCADRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000067213800 1185564065 /nfs/dbraw/zinc/56/40/65/1185564065.db2.gz LAOYLECRNNKZEV-UHFFFAOYSA-N 2 0 399.539 0.772 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000581299705 1185574048 /nfs/dbraw/zinc/57/40/48/1185574048.db2.gz XVZIWTUFZJSVDS-ZWKOTPCHSA-N 2 0 395.548 0.197 20 0 GCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000581359937 1185614374 /nfs/dbraw/zinc/61/43/74/1185614374.db2.gz JITRSJUTCNCDMD-ABHNRTSZSA-N 2 0 380.533 0.722 20 0 GCADRP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346512 1185618474 /nfs/dbraw/zinc/61/84/74/1185618474.db2.gz FEQVZYVQVOVSAW-YFHUEUNASA-N 2 0 378.521 0.591 20 0 GCADRP COc1cncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346985 1185619458 /nfs/dbraw/zinc/61/94/58/1185619458.db2.gz OLGYLXLKZSLDRE-YFHUEUNASA-N 2 0 391.516 0.779 20 0 GCADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000628104061 1185646952 /nfs/dbraw/zinc/64/69/52/1185646952.db2.gz FWWJDPZCPYOFHA-INIZCTEOSA-N 2 0 378.473 0.138 20 0 GCADRP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430599306 1185679368 /nfs/dbraw/zinc/67/93/68/1185679368.db2.gz ADPKEBYNTLQWOB-OAHLLOKOSA-N 2 0 396.919 0.964 20 0 GCADRP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCCC1 ZINC000891393688 1185681703 /nfs/dbraw/zinc/68/17/03/1185681703.db2.gz BRLISKMVCYLAJV-VQHPVUNQSA-N 2 0 379.505 0.685 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000581440819 1185692017 /nfs/dbraw/zinc/69/20/17/1185692017.db2.gz SDQAKJPXTLWPPI-CEXWTWQISA-N 2 0 385.512 0.850 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000581440821 1185692045 /nfs/dbraw/zinc/69/20/45/1185692045.db2.gz SDQAKJPXTLWPPI-GUDVDZBRSA-N 2 0 385.512 0.850 20 0 GCADRP CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430604608 1185696618 /nfs/dbraw/zinc/69/66/18/1185696618.db2.gz OCOSWUXQOOSELI-OAHLLOKOSA-N 2 0 375.473 0.114 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891414159 1185722943 /nfs/dbraw/zinc/72/29/43/1185722943.db2.gz GHCKHBXTUWASLW-UUAJXVIYSA-N 2 0 379.505 0.683 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)COCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000581525309 1185744619 /nfs/dbraw/zinc/74/46/19/1185744619.db2.gz YSYRGWZOOFUMBF-QZTJIDSGSA-N 2 0 382.549 0.888 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000581534350 1185747184 /nfs/dbraw/zinc/74/71/84/1185747184.db2.gz FVAKEADYHKFLOG-NRFANRHFSA-N 2 0 388.512 0.596 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000581534351 1185748929 /nfs/dbraw/zinc/74/89/29/1185748929.db2.gz FVAKEADYHKFLOG-OAQYLSRUSA-N 2 0 388.512 0.596 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430609574 1185751572 /nfs/dbraw/zinc/75/15/72/1185751572.db2.gz HMSGRNPXDJHYBV-INIZCTEOSA-N 2 0 391.491 0.261 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000430610998 1185752968 /nfs/dbraw/zinc/75/29/68/1185752968.db2.gz NBNOWRJVQSLTPA-AEFFLSMTSA-N 2 0 386.496 0.770 20 0 GCADRP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610288 1185755427 /nfs/dbraw/zinc/75/54/27/1185755427.db2.gz KEUPWICKKHZIPZ-IKGGRYGDSA-N 2 0 393.532 0.535 20 0 GCADRP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430611702 1185758557 /nfs/dbraw/zinc/75/85/57/1185758557.db2.gz PPSGYXNNZZIGIA-KBPBESRZSA-N 2 0 378.473 0.818 20 0 GCADRP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430612945 1185764097 /nfs/dbraw/zinc/76/40/97/1185764097.db2.gz TXLCYKWEAPPYSN-AEFFLSMTSA-N 2 0 388.512 0.844 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000581571110 1185765572 /nfs/dbraw/zinc/76/55/72/1185765572.db2.gz ZYBGIJXXULWPCI-RTBURBONSA-N 2 0 392.544 0.567 20 0 GCADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000430614061 1185768380 /nfs/dbraw/zinc/76/83/80/1185768380.db2.gz XQMVKSOYDFLFEJ-KRWDZBQOSA-N 2 0 376.476 0.894 20 0 GCADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614941 1185770283 /nfs/dbraw/zinc/77/02/83/1185770283.db2.gz ANXDAKAQJYOEPZ-GUDVDZBRSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614945 1185770535 /nfs/dbraw/zinc/77/05/35/1185770535.db2.gz ANXDAKAQJYOEPZ-QYZOEREBSA-N 2 0 394.560 0.842 20 0 GCADRP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615238 1185782847 /nfs/dbraw/zinc/78/28/47/1185782847.db2.gz BGVZIMCTUMPHDY-LSDHHAIUSA-N 2 0 392.500 0.668 20 0 GCADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619361 1185794821 /nfs/dbraw/zinc/79/48/21/1185794821.db2.gz BBLMFVYQCIBYCT-ZFWWWQNUSA-N 2 0 375.473 0.759 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430620722 1185795780 /nfs/dbraw/zinc/79/57/80/1185795780.db2.gz BOXRIDWYWDEDBR-OAHLLOKOSA-N 2 0 383.496 0.840 20 0 GCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430622142 1185801557 /nfs/dbraw/zinc/80/15/57/1185801557.db2.gz DSLJOLLQLLATIV-INIZCTEOSA-N 2 0 382.530 0.314 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430625433 1185809569 /nfs/dbraw/zinc/80/95/69/1185809569.db2.gz JHYRZEIFXDRFNW-CQSZACIVSA-N 2 0 384.427 0.691 20 0 GCADRP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637593 1185839899 /nfs/dbraw/zinc/83/98/99/1185839899.db2.gz CSCQXPFLKFFHPC-HZPDHXFCSA-N 2 0 378.542 0.939 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CCCCC1 ZINC000430637402 1185840930 /nfs/dbraw/zinc/84/09/30/1185840930.db2.gz BAXKNLHRZBDLSB-OAHLLOKOSA-N 2 0 379.505 0.289 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000276499040 1185846191 /nfs/dbraw/zinc/84/61/91/1185846191.db2.gz IYMHFWNLRCXAJW-UHFFFAOYSA-N 2 0 390.532 0.363 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000581689489 1185848577 /nfs/dbraw/zinc/84/85/77/1185848577.db2.gz SXGSPKRIILPBGQ-RBUKOAKNSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000581734418 1185871843 /nfs/dbraw/zinc/87/18/43/1185871843.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 0 384.609 0.931 20 0 GCADRP CN1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H](C[NH3+])C1 ZINC000581777203 1185896480 /nfs/dbraw/zinc/89/64/80/1185896480.db2.gz KEGWYAQGSQAWHR-QGZVFWFLSA-N 2 0 375.517 0.944 20 0 GCADRP COc1ccc(C[C@@](C)(CO)[NH2+]CC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000933447551 1185897991 /nfs/dbraw/zinc/89/79/91/1185897991.db2.gz FRBBTPCQEIYRNW-FQEVSTJZSA-N 2 0 379.501 0.797 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000581819258 1185899925 /nfs/dbraw/zinc/89/99/25/1185899925.db2.gz MFYYFNAFJVEJGA-IBGZPJMESA-N 2 0 387.528 0.309 20 0 GCADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430660672 1185903488 /nfs/dbraw/zinc/90/34/88/1185903488.db2.gz DPGPOBCESFXXPF-GOSISDBHSA-N 2 0 388.512 0.797 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891536571 1185910334 /nfs/dbraw/zinc/91/03/34/1185910334.db2.gz VFBXUEPFJLEFEN-TZMCWYRMSA-N 2 0 393.454 0.708 20 0 GCADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665375 1185927925 /nfs/dbraw/zinc/92/79/25/1185927925.db2.gz MQBBUFZYKLKVLB-ZBFHGGJFSA-N 2 0 387.484 0.256 20 0 GCADRP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430666362 1185932223 /nfs/dbraw/zinc/93/22/23/1185932223.db2.gz NUURKNFOAJZRAO-CYBMUJFWSA-N 2 0 377.445 0.130 20 0 GCADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430671304 1185944303 /nfs/dbraw/zinc/94/43/03/1185944303.db2.gz XKVCMLKPTSXIKY-OAHLLOKOSA-N 2 0 378.473 0.107 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001087168384 1185971288 /nfs/dbraw/zinc/97/12/88/1185971288.db2.gz JPPBANRQRKZZRD-FXUDXRNXSA-N 2 0 378.521 0.555 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419902941 1185978037 /nfs/dbraw/zinc/97/80/37/1185978037.db2.gz WFUGXVLUARPUOX-IAGOWNOFSA-N 2 0 376.501 0.972 20 0 GCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000891693818 1185980146 /nfs/dbraw/zinc/98/01/46/1185980146.db2.gz GTFPRIRMYFUBOP-KSZLIROESA-N 2 0 380.533 0.822 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891698009 1185982643 /nfs/dbraw/zinc/98/26/43/1185982643.db2.gz WGOUAVMTNCCCGD-MLHJIOFPSA-N 2 0 393.532 0.931 20 0 GCADRP O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891709708 1185990737 /nfs/dbraw/zinc/99/07/37/1185990737.db2.gz SZMYUDGHKRXGRC-FPCVCCKLSA-N 2 0 386.456 0.237 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581937802 1185998044 /nfs/dbraw/zinc/99/80/44/1185998044.db2.gz RHHQSACJKWVKSC-ZWJWXYIHSA-N 2 0 391.560 0.199 20 0 GCADRP C[NH+]1C[C@H]2CN(CCS(=O)(=O)CCN3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000933735811 1186051144 /nfs/dbraw/zinc/05/11/44/1186051144.db2.gz MVRKGPKMTHNTCU-JVSBHGNQSA-N 2 0 398.617 0.168 20 0 GCADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430952224 1186065922 /nfs/dbraw/zinc/06/59/22/1186065922.db2.gz YBIZHBOCTMERPW-AWEZNQCLSA-N 2 0 382.530 0.442 20 0 GCADRP C[NH2+]CC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000430961031 1186070268 /nfs/dbraw/zinc/07/02/68/1186070268.db2.gz BHMCBPXVTQFRSU-CYBMUJFWSA-N 2 0 380.514 0.543 20 0 GCADRP COCC[C@]1(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]C1 ZINC000431007342 1186102219 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/nfs/dbraw/zinc/15/57/00/1186155700.db2.gz NFMTYVBTLJJQBC-IBGZPJMESA-N 2 0 394.608 0.822 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000582003626 1186180382 /nfs/dbraw/zinc/18/03/82/1186180382.db2.gz RHCVQRLXSZEXFM-IPYPFGDCSA-N 2 0 380.489 0.665 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458239240 1186218183 /nfs/dbraw/zinc/21/81/83/1186218183.db2.gz ZBBPPBOJPJJHCD-SJORKVTESA-N 2 0 383.537 0.075 20 0 GCADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000563081862 1186219067 /nfs/dbraw/zinc/21/90/67/1186219067.db2.gz SMHSKTXVZDOLBW-SFHVURJKSA-N 2 0 392.475 0.653 20 0 GCADRP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001707907334 1186244948 /nfs/dbraw/zinc/24/49/48/1186244948.db2.gz VZZYSYNUGUMABH-INIZCTEOSA-N 2 0 389.548 0.814 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000236838591 1186291619 /nfs/dbraw/zinc/29/16/19/1186291619.db2.gz ZGRRWRMCTAFUKL-IRXDYDNUSA-N 2 0 380.533 0.676 20 0 GCADRP O=C1CC[NH+](CCOCC[N@@H+]2CCCCCNC(=O)CC2)CCCCCN1 ZINC000934155808 1186317135 /nfs/dbraw/zinc/31/71/35/1186317135.db2.gz WVRQUMCKXFDZKN-UHFFFAOYSA-N 2 0 382.549 0.987 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892105932 1186344168 /nfs/dbraw/zinc/34/41/68/1186344168.db2.gz AAVOLPAFUYFFKA-KBPBESRZSA-N 2 0 393.454 0.280 20 0 GCADRP c1cnc(N2CC[NH+](CCCC[NH+]3CCN(c4cnccn4)CC3)CC2)cn1 ZINC000157549598 1186365037 /nfs/dbraw/zinc/36/50/37/1186365037.db2.gz SGBMBMAEFLJUDJ-UHFFFAOYSA-N 2 0 382.516 0.991 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000582018540 1186372065 /nfs/dbraw/zinc/37/20/65/1186372065.db2.gz XCLHJCIKCDQQIJ-UHFFFAOYSA-N 2 0 394.560 0.938 20 0 GCADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H](C[NH3+])C1 ZINC000582052986 1186384537 /nfs/dbraw/zinc/38/45/37/1186384537.db2.gz ZATTZLGCMLBGMQ-UXLLHSPISA-N 2 0 393.557 0.349 20 0 GCADRP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934260841 1186387650 /nfs/dbraw/zinc/38/76/50/1186387650.db2.gz BYBIVWJZEVZJDN-TWGBQZSLSA-N 2 0 394.604 0.827 20 0 GCADRP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934260835 1186387926 /nfs/dbraw/zinc/38/79/26/1186387926.db2.gz BYBIVWJZEVZJDN-OQEHDIDLSA-N 2 0 394.604 0.827 20 0 GCADRP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934260838 1186387994 /nfs/dbraw/zinc/38/79/94/1186387994.db2.gz BYBIVWJZEVZJDN-PVIWCNJMSA-N 2 0 394.604 0.827 20 0 GCADRP OCCN1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934261310 1186388737 /nfs/dbraw/zinc/38/87/37/1186388737.db2.gz DZURJUHNFVDESR-LRSLUSHPSA-N 2 0 394.604 0.829 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000152127768 1186403764 /nfs/dbraw/zinc/40/37/64/1186403764.db2.gz YLCIVVORGUHHGJ-QGZVFWFLSA-N 2 0 381.565 0.813 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000582195543 1186460554 /nfs/dbraw/zinc/46/05/54/1186460554.db2.gz HNYGUTXRDHYRLU-ZWKOTPCHSA-N 2 0 381.565 0.367 20 0 GCADRP C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000892220557 1186463211 /nfs/dbraw/zinc/46/32/11/1186463211.db2.gz HDQPNVUUEISDGB-UHFFFAOYSA-N 2 0 376.501 0.694 20 0 GCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582252698 1186478304 /nfs/dbraw/zinc/47/83/04/1186478304.db2.gz OVUYVUIKQHYVKV-IRXDYDNUSA-N 2 0 386.500 0.523 20 0 GCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892254532 1186498377 /nfs/dbraw/zinc/49/83/77/1186498377.db2.gz ZVKCGYBIEJEMJC-NNIGNNQHSA-N 2 0 399.495 0.709 20 0 GCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000582354529 1186502271 /nfs/dbraw/zinc/50/22/71/1186502271.db2.gz XBSNSVCMSVCQSA-MRXNPFEDSA-N 2 0 394.541 0.944 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582360841 1186503514 /nfs/dbraw/zinc/50/35/14/1186503514.db2.gz UGINYCKWRGDATH-IRXDYDNUSA-N 2 0 394.541 0.314 20 0 GCADRP CC(C)[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000582407581 1186523542 /nfs/dbraw/zinc/52/35/42/1186523542.db2.gz MRKAHRSTFXHFQZ-GOSISDBHSA-N 2 0 381.565 0.765 20 0 GCADRP CC1(C)C[N@@H+](C2(CNC(=O)NCC(=O)N3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000582409637 1186523788 /nfs/dbraw/zinc/52/37/88/1186523788.db2.gz COLVRYHLPZSGQQ-UHFFFAOYSA-N 2 0 395.548 0.531 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000564485919 1186524163 /nfs/dbraw/zinc/52/41/63/1186524163.db2.gz FHRNIWUDPVGFHU-OALUTQOASA-N 2 0 396.576 0.917 20 0 GCADRP CN1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[N@H+](C)CC1 ZINC000888980481 1186567199 /nfs/dbraw/zinc/56/71/99/1186567199.db2.gz DOUIDILQMPSCEO-UHFFFAOYSA-N 2 0 388.516 0.623 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582595609 1186578668 /nfs/dbraw/zinc/57/86/68/1186578668.db2.gz OKWMSHCDMPKENI-MSOLQXFVSA-N 2 0 377.533 0.928 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[C@@H](C[NH3+])C1 ZINC000582600499 1186580896 /nfs/dbraw/zinc/58/08/96/1186580896.db2.gz TVGJGZSMCOABEC-UGKGYDQZSA-N 2 0 399.539 0.212 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000582619964 1186588271 /nfs/dbraw/zinc/58/82/71/1186588271.db2.gz MDGOPSVECKZIIK-JZXOWHBKSA-N 2 0 379.549 0.116 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277788236 1186610260 /nfs/dbraw/zinc/61/02/60/1186610260.db2.gz ZXXJNDWNXPBUEP-UXHICEINSA-N 2 0 389.544 0.823 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277788230 1186610575 /nfs/dbraw/zinc/61/05/75/1186610575.db2.gz ZXXJNDWNXPBUEP-PMACEKPBSA-N 2 0 389.544 0.823 20 0 GCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000582701989 1186616810 /nfs/dbraw/zinc/61/68/10/1186616810.db2.gz WTXWPGQABFZAHM-HOTGVXAUSA-N 2 0 390.532 1.467 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000582716016 1186623342 /nfs/dbraw/zinc/62/33/42/1186623342.db2.gz UTFKWYBLHZQGCW-YESZJQIVSA-N 2 0 378.517 0.333 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000077807413 1186654828 /nfs/dbraw/zinc/65/48/28/1186654828.db2.gz DBCOJMHRMJTMKX-UHFFFAOYSA-N 2 0 375.517 0.706 20 0 GCADRP C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000153291017 1186664980 /nfs/dbraw/zinc/66/49/80/1186664980.db2.gz RDGNJZAOXICASG-QRQLOZEOSA-N 2 0 376.501 0.642 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000079670333 1186680436 /nfs/dbraw/zinc/68/04/36/1186680436.db2.gz HISJFFVSHCUVGI-IAGOWNOFSA-N 2 0 380.533 0.546 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000153518103 1186716980 /nfs/dbraw/zinc/71/69/80/1186716980.db2.gz WMLGERKROXDAFZ-INIZCTEOSA-N 2 0 376.505 0.860 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000153518208 1186717193 /nfs/dbraw/zinc/71/71/93/1186717193.db2.gz WMLGERKROXDAFZ-MRXNPFEDSA-N 2 0 376.505 0.860 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000121562939 1186738710 /nfs/dbraw/zinc/73/87/10/1186738710.db2.gz DLFFQZKFZXWOOZ-NRFANRHFSA-N 2 0 391.560 0.936 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000583041577 1186755474 /nfs/dbraw/zinc/75/54/74/1186755474.db2.gz IWVIZRNQFNASQU-IEBWSBKVSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569622051 1186787603 /nfs/dbraw/zinc/78/76/03/1186787603.db2.gz FQKYFNSVCZKDNF-UXPWSPDFSA-N 2 0 399.539 0.400 20 0 GCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CCN2C1=O ZINC000569623791 1186797514 /nfs/dbraw/zinc/79/75/14/1186797514.db2.gz TVKJLNFEBQANPC-RBSFLKMASA-N 2 0 377.514 0.838 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000124650530 1186799951 /nfs/dbraw/zinc/79/99/51/1186799951.db2.gz FCSWLFYGQMOUHB-INIZCTEOSA-N 2 0 391.516 0.507 20 0 GCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155669091 1186821698 /nfs/dbraw/zinc/82/16/98/1186821698.db2.gz IRMMSPKMFVBZJK-CYBMUJFWSA-N 2 0 379.427 0.476 20 0 GCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000583412246 1186848338 /nfs/dbraw/zinc/84/83/38/1186848338.db2.gz WYBXVEWNGQEWRM-OAHLLOKOSA-N 2 0 378.521 1.325 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000458562812 1186872274 /nfs/dbraw/zinc/87/22/74/1186872274.db2.gz YLIALROZAZGRGB-FHWLQOOXSA-N 2 0 382.549 0.900 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583513660 1186876164 /nfs/dbraw/zinc/87/61/64/1186876164.db2.gz QFLHBTUSVIGCCE-HDICACEKSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000536057146 1186876911 /nfs/dbraw/zinc/87/69/11/1186876911.db2.gz IVXFXDJSEOQJFN-CWPLJXCYSA-N 2 0 395.548 0.685 20 0 GCADRP O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](CC2CC2)CC1 ZINC000329220796 1186879151 /nfs/dbraw/zinc/87/91/51/1186879151.db2.gz BOOALPXZMLHTLX-GOSISDBHSA-N 2 0 378.517 0.254 20 0 GCADRP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158423 1186891440 /nfs/dbraw/zinc/89/14/40/1186891440.db2.gz UQKNNICZTZXOTC-VQIMIIECSA-N 2 0 398.573 0.634 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000458605482 1186895809 /nfs/dbraw/zinc/89/58/09/1186895809.db2.gz WVDLTZCDHHMPIR-UHFFFAOYSA-N 2 0 382.597 0.728 20 0 GCADRP COc1ccc(CN2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@@H]3C(N)=O)CC2)cc1 ZINC000130644182 1186943765 /nfs/dbraw/zinc/94/37/65/1186943765.db2.gz MSDQFMPQSONZTM-RBUKOAKNSA-N 2 0 388.512 0.973 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000583826209 1186946918 /nfs/dbraw/zinc/94/69/18/1186946918.db2.gz AMSLYAXMCZRRIZ-GOSISDBHSA-N 2 0 380.533 0.689 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000583826210 1186946943 /nfs/dbraw/zinc/94/69/43/1186946943.db2.gz AMSLYAXMCZRRIZ-SFHVURJKSA-N 2 0 380.533 0.689 20 0 GCADRP COC(=O)Cn1cc(CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000158103905 1186959762 /nfs/dbraw/zinc/95/97/62/1186959762.db2.gz MDOIEEHDPNJKMK-IYBDPMFKSA-N 2 0 379.505 0.815 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000569638122 1186971436 /nfs/dbraw/zinc/97/14/36/1186971436.db2.gz KXVMGSXCNZEHOM-ZWKOTPCHSA-N 2 0 394.560 0.984 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000278543375 1186973519 /nfs/dbraw/zinc/97/35/19/1186973519.db2.gz CUOVDWUZPHKNCT-OAHLLOKOSA-N 2 0 390.492 0.506 20 0 GCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005910 1186978855 /nfs/dbraw/zinc/97/88/55/1186978855.db2.gz OSISKPVTTLEBLE-BFYDXBDKSA-N 2 0 391.541 0.914 20 0 GCADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458768229 1186982586 /nfs/dbraw/zinc/98/25/86/1186982586.db2.gz DXBVIAOWOWSCHH-QGZVFWFLSA-N 2 0 379.505 0.668 20 0 GCADRP CC1(C)CC[C@H](CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000892374153 1187017698 /nfs/dbraw/zinc/01/76/98/1187017698.db2.gz AWHGNKZNHXYVID-QZTJIDSGSA-N 2 0 381.565 0.860 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611823046 1187035988 /nfs/dbraw/zinc/03/59/88/1187035988.db2.gz MRAJXJNOMNTLOS-QZTJIDSGSA-N 2 0 378.517 0.489 20 0 GCADRP CC[NH+](CC)CCN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000584351848 1187037355 /nfs/dbraw/zinc/03/73/55/1187037355.db2.gz OPZDHBBAHVZCHL-CABCVRRESA-N 2 0 397.545 0.458 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000564749611 1187040927 /nfs/dbraw/zinc/04/09/27/1187040927.db2.gz JEXFCLHGVHLTJA-IBGZPJMESA-N 2 0 395.592 0.709 20 0 GCADRP CC(C)[C@H](C(=O)NCC1(O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)[NH+](C)C ZINC000643353580 1187050256 /nfs/dbraw/zinc/05/02/56/1187050256.db2.gz UMTOISMOFRMOSF-SJORKVTESA-N 2 0 384.565 0.629 20 0 GCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000375748616 1187059191 /nfs/dbraw/zinc/05/91/91/1187059191.db2.gz IPLWKQYLPCLQHN-HOTGVXAUSA-N 2 0 390.532 1.325 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N(C)CC[N@H+](C)C3CC3)C2)CC1 ZINC000584456007 1187070764 /nfs/dbraw/zinc/07/07/64/1187070764.db2.gz XXXAEIVOQIEGNX-SFHVURJKSA-N 2 0 379.549 0.166 20 0 GCADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1COc2ccccc21 ZINC000685405408 1187123890 /nfs/dbraw/zinc/12/38/90/1187123890.db2.gz WLAYCTBJZAOXDB-RDJZCZTQSA-N 2 0 376.501 0.619 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000685519398 1187140966 /nfs/dbraw/zinc/14/09/66/1187140966.db2.gz GYFZHOQOWJQRAG-UHFFFAOYSA-N 2 0 380.533 0.546 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685520417 1187143657 /nfs/dbraw/zinc/14/36/57/1187143657.db2.gz VLYYSVMEFHLMPW-ZWKOTPCHSA-N 2 0 394.560 0.794 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023979430 1187211566 /nfs/dbraw/zinc/21/15/66/1187211566.db2.gz YIIPTGPCSHOHEP-BSDSXHPESA-N 2 0 385.468 0.366 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023979338 1187211753 /nfs/dbraw/zinc/21/17/53/1187211753.db2.gz VFYAGEZWPXUXQZ-BSDSXHPESA-N 2 0 380.533 0.281 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)CC[N@@H+]1C ZINC001023980656 1187213028 /nfs/dbraw/zinc/21/30/28/1187213028.db2.gz YGQYYGPDOANGTN-BSDSXHPESA-N 2 0 380.533 0.137 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000685683310 1187220002 /nfs/dbraw/zinc/22/00/02/1187220002.db2.gz HBRYWQVMKVVCMN-QGZVFWFLSA-N 2 0 396.557 0.839 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000685683318 1187220269 /nfs/dbraw/zinc/22/02/69/1187220269.db2.gz IJZGPGAAKPJICN-MRXNPFEDSA-N 2 0 397.545 0.234 20 0 GCADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000635691184 1187226343 /nfs/dbraw/zinc/22/63/43/1187226343.db2.gz WERJLZYZDZTGGB-LJQANCHMSA-N 2 0 375.513 0.880 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000612046030 1187245197 /nfs/dbraw/zinc/24/51/97/1187245197.db2.gz XWSGDMCAKPYCHY-FGTMMUONSA-N 2 0 378.517 0.489 20 0 GCADRP O=C(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCCC1 ZINC000586116122 1187252661 /nfs/dbraw/zinc/25/26/61/1187252661.db2.gz AIXOBKZGSZPFCE-UHFFFAOYSA-N 2 0 388.516 0.952 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000658393112 1187285207 /nfs/dbraw/zinc/28/52/07/1187285207.db2.gz TXNKWFKULDEEPO-GOSISDBHSA-N 2 0 380.533 0.546 20 0 GCADRP Cn1cc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)NC(=O)[C@@H]2CCCC[NH+]2C)cn1 ZINC000635725232 1187318531 /nfs/dbraw/zinc/31/85/31/1187318531.db2.gz KYWDQIDQIMACDV-SQNIBIBYSA-N 2 0 390.532 0.662 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000658649614 1187398476 /nfs/dbraw/zinc/39/84/76/1187398476.db2.gz PIZWZEILZIPMQW-OAHLLOKOSA-N 2 0 376.505 0.906 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000658649612 1187398670 /nfs/dbraw/zinc/39/86/70/1187398670.db2.gz PIZWZEILZIPMQW-HNNXBMFYSA-N 2 0 376.505 0.906 20 0 GCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612224868 1187414133 /nfs/dbraw/zinc/41/41/33/1187414133.db2.gz WAUCMFODBYCWKO-UHFFFAOYSA-N 2 0 375.517 0.820 20 0 GCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000612226617 1187415368 /nfs/dbraw/zinc/41/53/68/1187415368.db2.gz PKZXMHGPDWINAI-IBGZPJMESA-N 2 0 387.528 0.962 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000658732074 1187433722 /nfs/dbraw/zinc/43/37/22/1187433722.db2.gz XLRLHFDWKUUNMW-RBUKOAKNSA-N 2 0 391.560 0.312 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1 ZINC000658777153 1187457449 /nfs/dbraw/zinc/45/74/49/1187457449.db2.gz AAPMAUISSMFVFE-INIZCTEOSA-N 2 0 375.473 0.726 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000584475863 1187470841 /nfs/dbraw/zinc/47/08/41/1187470841.db2.gz CSOJTUOQSXEMDH-UHFFFAOYSA-N 2 0 382.549 0.923 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(F)(F)F)CC[NH+]1C ZINC000612465590 1187499192 /nfs/dbraw/zinc/49/91/92/1187499192.db2.gz OVWMANYTJKZQDH-KSTCHIGDSA-N 2 0 378.439 0.830 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000612481832 1187504786 /nfs/dbraw/zinc/50/47/86/1187504786.db2.gz FWXGHMMLUYTXQW-ZWKOTPCHSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000612483893 1187505385 /nfs/dbraw/zinc/50/53/85/1187505385.db2.gz ANEISZMPUQADIC-GOSISDBHSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000612486797 1187506402 /nfs/dbraw/zinc/50/64/02/1187506402.db2.gz RJFDYLSDHDLWSI-GOSISDBHSA-N 2 0 381.565 0.319 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612546408 1187522207 /nfs/dbraw/zinc/52/22/07/1187522207.db2.gz SFLBTYNBSSNCFD-SFHVURJKSA-N 2 0 393.576 0.604 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000413822557 1187529353 /nfs/dbraw/zinc/52/93/53/1187529353.db2.gz UHTFSQUDFQIMGL-KZNAEPCWSA-N 2 0 380.533 0.282 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612601296 1187539318 /nfs/dbraw/zinc/53/93/18/1187539318.db2.gz PDFKPRLKZKOBSH-LJQANCHMSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612601685 1187540202 /nfs/dbraw/zinc/54/02/02/1187540202.db2.gz SRQXKFNFVMWIFP-IBGZPJMESA-N 2 0 394.560 0.936 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@H+](C)C1 ZINC000413907989 1187577819 /nfs/dbraw/zinc/57/78/19/1187577819.db2.gz UFDXQDUDLFZARZ-QGZVFWFLSA-N 2 0 389.500 0.157 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880792 1187611154 /nfs/dbraw/zinc/61/11/54/1187611154.db2.gz JYQBCUQAULKCFT-HZPDHXFCSA-N 2 0 387.532 0.945 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1ccc(C[NH3+])cc1=N ZINC001167691669 1187613407 /nfs/dbraw/zinc/61/34/07/1187613407.db2.gz QAAFYBDPWZCHGW-OAHLLOKOSA-N 2 0 387.484 0.916 20 0 GCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612920872 1187620230 /nfs/dbraw/zinc/62/02/30/1187620230.db2.gz MPHVCZDKTNFEFW-BFYDXBDKSA-N 2 0 375.521 0.706 20 0 GCADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612921376 1187620408 /nfs/dbraw/zinc/62/04/08/1187620408.db2.gz QYNYTHWYBCBZMC-JKSUJKDBSA-N 2 0 375.521 0.850 20 0 GCADRP COCC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000376257732 1187728453 /nfs/dbraw/zinc/72/84/53/1187728453.db2.gz ZHTAISVCRQHPGK-AYHJJNSGSA-N 2 0 395.548 0.480 20 0 GCADRP C[C@]1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000570868911 1187730187 /nfs/dbraw/zinc/73/01/87/1187730187.db2.gz ZHMHIPOYLGZBAG-LVCYWYKZSA-N 2 0 385.512 0.995 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000376343973 1187779201 /nfs/dbraw/zinc/77/92/01/1187779201.db2.gz MOEXQEFSAJWDPP-RBUKOAKNSA-N 2 0 398.548 0.618 20 0 GCADRP CC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000332866441 1187798401 /nfs/dbraw/zinc/79/84/01/1187798401.db2.gz NFPWTJJBMOQNSN-NXWXRZEISA-N 2 0 382.549 0.851 20 0 GCADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CC[NH+](C)[C@H](C)C3)CC2)C1 ZINC000332923844 1187819182 /nfs/dbraw/zinc/81/91/82/1187819182.db2.gz GHURTJAWKYEQOY-QYZOEREBSA-N 2 0 381.565 0.906 20 0 GCADRP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000647522902 1187833530 /nfs/dbraw/zinc/83/35/30/1187833530.db2.gz UJSLOYOURWFHEO-HZPDHXFCSA-N 2 0 375.469 0.470 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@H]4C3)CC2)C[C@H](C)O1 ZINC000658993224 1187833582 /nfs/dbraw/zinc/83/35/82/1187833582.db2.gz IXRAWMYAAIFPMH-SCTDSRPQSA-N 2 0 392.544 0.641 20 0 GCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCC3([NH3+])CCCC3)ccc2oc1=O ZINC000659099800 1187876616 /nfs/dbraw/zinc/87/66/16/1187876616.db2.gz JHXQWTDFPRVWAD-UHFFFAOYSA-N 2 0 389.456 0.482 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000105321059 1187878858 /nfs/dbraw/zinc/87/88/58/1187878858.db2.gz LOBWZXRCBBPEDI-GUDVDZBRSA-N 2 0 393.576 0.319 20 0 GCADRP O=C(C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659124738 1187898825 /nfs/dbraw/zinc/89/88/25/1187898825.db2.gz PMISGYSGGUKOBM-LJQANCHMSA-N 2 0 392.544 0.644 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423498014 1187915713 /nfs/dbraw/zinc/91/57/13/1187915713.db2.gz AWZCDMCSUMUZDW-QZTJIDSGSA-N 2 0 381.565 0.460 20 0 GCADRP COc1ccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)[NH+](C)C)cc1OC ZINC000636465598 1187917187 /nfs/dbraw/zinc/91/71/87/1187917187.db2.gz FNIHXMXQPALIQX-HOTGVXAUSA-N 2 0 380.489 0.672 20 0 GCADRP [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659301318 1187928268 /nfs/dbraw/zinc/92/82/68/1187928268.db2.gz XAOMDQSSNUVLAW-FQEVSTJZSA-N 2 0 396.491 0.683 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000659318572 1187943123 /nfs/dbraw/zinc/94/31/23/1187943123.db2.gz NHBOTNBYHMANEF-IEBWSBKVSA-N 3 0 393.576 0.414 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000659318729 1187943253 /nfs/dbraw/zinc/94/32/53/1187943253.db2.gz WGDLROWMGYZRFA-UHFFFAOYSA-N 3 0 381.565 0.415 20 0 GCADRP O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000659345132 1187945079 /nfs/dbraw/zinc/94/50/79/1187945079.db2.gz BOVIMOIDKYZOAX-LJQANCHMSA-N 2 0 392.544 0.644 20 0 GCADRP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344792 1187946302 /nfs/dbraw/zinc/94/63/02/1187946302.db2.gz KVPRJRITFFEGSP-MSOLQXFVSA-N 2 0 379.549 0.166 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659379238 1187950839 /nfs/dbraw/zinc/95/08/39/1187950839.db2.gz BPWQFAJVEHEGQX-UHFFFAOYSA-N 2 0 391.516 0.547 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000659434783 1187958343 /nfs/dbraw/zinc/95/83/43/1187958343.db2.gz BAWCQIQGFPZYDN-UHFFFAOYSA-N 2 0 399.499 0.652 20 0 GCADRP [NH3+]C1(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000659450660 1187960331 /nfs/dbraw/zinc/96/03/31/1187960331.db2.gz DJURZIMFQZBVRH-UHFFFAOYSA-N 2 0 375.521 0.950 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659581463 1187972527 /nfs/dbraw/zinc/97/25/27/1187972527.db2.gz MSTZTVZAUMLHQY-FHWLQOOXSA-N 2 0 375.492 0.960 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659580503 1187973702 /nfs/dbraw/zinc/97/37/02/1187973702.db2.gz CSOYEVYVSMXDHR-FHWLQOOXSA-N 2 0 375.492 0.960 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000659686536 1187996758 /nfs/dbraw/zinc/99/67/58/1187996758.db2.gz FTIGJWFOTIBXOX-WBVHZDCISA-N 2 0 376.501 0.829 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659684650 1187996963 /nfs/dbraw/zinc/99/69/63/1187996963.db2.gz KKTTXDFYUZQZOX-CGTJXYLNSA-N 2 0 376.501 0.364 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000659698398 1187999610 /nfs/dbraw/zinc/99/96/10/1187999610.db2.gz NAPKCJRQDUCQAC-AEFFLSMTSA-N 2 0 375.517 0.206 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C[NH3+])C1 ZINC000659690741 1187999877 /nfs/dbraw/zinc/99/98/77/1187999877.db2.gz VDRSFWJLOJOCJT-WBVHZDCISA-N 2 0 388.516 0.035 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000659697480 1188001438 /nfs/dbraw/zinc/00/14/38/1188001438.db2.gz HYIRICDEAUDUIT-SFHVURJKSA-N 2 0 389.544 0.677 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000659706698 1188002472 /nfs/dbraw/zinc/00/24/72/1188002472.db2.gz ONRBNBUCCKIWGF-OAHLLOKOSA-N 2 0 395.935 0.692 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N1CCN(c2ccccc2)CC1 ZINC000659698676 1188002864 /nfs/dbraw/zinc/00/28/64/1188002864.db2.gz HZHDFIGCFZEIGE-INIZCTEOSA-N 2 0 375.517 0.509 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659698794 1188003947 /nfs/dbraw/zinc/00/39/47/1188003947.db2.gz MKMJMVBFVFASLR-ZDUSSCGKSA-N 2 0 378.477 0.028 20 0 GCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659730729 1188016494 /nfs/dbraw/zinc/01/64/94/1188016494.db2.gz UQQFBHWJHYAVMN-SFHVURJKSA-N 2 0 387.528 0.997 20 0 GCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659739324 1188018188 /nfs/dbraw/zinc/01/81/88/1188018188.db2.gz QVDFYNJPEDHMSM-LJQANCHMSA-N 2 0 388.512 0.734 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732796 1188019654 /nfs/dbraw/zinc/01/96/54/1188019654.db2.gz OCEAAQGQQZZFTR-CALCHBBNSA-N 2 0 379.549 0.391 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000472781559 1188047985 /nfs/dbraw/zinc/04/79/85/1188047985.db2.gz CGZVHNYKNLUNQT-QZTJIDSGSA-N 2 0 396.580 0.254 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580309378 1188056494 /nfs/dbraw/zinc/05/64/94/1188056494.db2.gz UMXGPZRUBKWWRW-FGTMMUONSA-N 2 0 379.549 0.262 20 0 GCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000415353090 1188057972 /nfs/dbraw/zinc/05/79/72/1188057972.db2.gz LOVNOKFFVKRTLW-QGZVFWFLSA-N 2 0 385.512 0.964 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000415357471 1188059279 /nfs/dbraw/zinc/05/92/79/1188059279.db2.gz RYCHWCJHGBTNGG-OAHLLOKOSA-N 2 0 389.500 0.583 20 0 GCADRP CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)ccc1OC ZINC000415358610 1188059764 /nfs/dbraw/zinc/05/97/64/1188059764.db2.gz UOLXRJHUYLYXDG-AWEZNQCLSA-N 2 0 378.473 0.914 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000415380019 1188068529 /nfs/dbraw/zinc/06/85/29/1188068529.db2.gz SCJQDGMFSKLLNP-INIZCTEOSA-N 2 0 375.473 0.726 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415456814 1188085299 /nfs/dbraw/zinc/08/52/99/1188085299.db2.gz WYHDWTUJJDXOEK-SJLPKXTDSA-N 2 0 387.528 0.958 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000415481833 1188090039 /nfs/dbraw/zinc/09/00/39/1188090039.db2.gz KTTMQWGSNHYCJA-MJGOQNOKSA-N 2 0 385.512 0.725 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415491140 1188090737 /nfs/dbraw/zinc/09/07/37/1188090737.db2.gz ZGKUFLAQVQNJMB-UHFFFAOYSA-N 2 0 375.517 0.816 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@@H](C)O1 ZINC000377647158 1188095158 /nfs/dbraw/zinc/09/51/58/1188095158.db2.gz LTVIZVBNTMGVCJ-LMMKCTJWSA-N 2 0 394.560 0.744 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000415517403 1188097061 /nfs/dbraw/zinc/09/70/61/1188097061.db2.gz HKKZNUDLVBKRBJ-FUHWJXTLSA-N 2 0 387.528 0.958 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000415518150 1188097330 /nfs/dbraw/zinc/09/73/30/1188097330.db2.gz LYRUQHPVMUYIBD-UHFFFAOYSA-N 2 0 391.516 0.891 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893011704 1188099708 /nfs/dbraw/zinc/09/97/08/1188099708.db2.gz MDNYKOLEISAPDG-FHWLQOOXSA-N 2 0 380.533 0.870 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000415551522 1188104300 /nfs/dbraw/zinc/10/43/00/1188104300.db2.gz DRBMLIOCAVZYCR-ZIAGYGMSSA-N 2 0 375.473 0.724 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)c2)CC1 ZINC000415551327 1188104358 /nfs/dbraw/zinc/10/43/58/1188104358.db2.gz KVLWTDSXVDTBAI-UHFFFAOYSA-N 2 0 399.539 0.975 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000415551519 1188104374 /nfs/dbraw/zinc/10/43/74/1188104374.db2.gz DRBMLIOCAVZYCR-KBPBESRZSA-N 2 0 375.473 0.724 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415560608 1188107321 /nfs/dbraw/zinc/10/73/21/1188107321.db2.gz VFRSHNCDQVQSQS-AWEZNQCLSA-N 2 0 377.489 0.629 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCO1 ZINC000415597317 1188118052 /nfs/dbraw/zinc/11/80/52/1188118052.db2.gz JDTPDKUMBMITBQ-HNNXBMFYSA-N 2 0 378.498 0.360 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893052786 1188121815 /nfs/dbraw/zinc/12/18/15/1188121815.db2.gz HCMIQFBKSPJMPX-IBGZPJMESA-N 2 0 379.549 0.709 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652691488 1188137461 /nfs/dbraw/zinc/13/74/61/1188137461.db2.gz VSCLGVGSRRPXPD-XYJFISCASA-N 2 0 380.533 0.722 20 0 GCADRP C[C@@H]1CN(c2cc(C(N)=O)nc(N3C[C@H](C)[NH+](C)C[C@@H]3C)n2)[C@@H](C)C[N@@H+]1C ZINC000893077652 1188138268 /nfs/dbraw/zinc/13/82/68/1188138268.db2.gz BNDXWAVQYVAKMK-QPSCCSFWSA-N 2 0 375.521 0.633 20 0 GCADRP COC[C@@]1(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000415706590 1188145108 /nfs/dbraw/zinc/14/51/08/1188145108.db2.gz LEJYCRWIFMXSKM-IBGZPJMESA-N 2 0 378.473 0.450 20 0 GCADRP COC[C@@]1(CNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCC[NH2+]1 ZINC000415712568 1188147308 /nfs/dbraw/zinc/14/73/08/1188147308.db2.gz VGPDGRVMTUIYRX-FQEVSTJZSA-N 2 0 392.500 0.759 20 0 GCADRP CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC ZINC000415757274 1188158273 /nfs/dbraw/zinc/15/82/73/1188158273.db2.gz GFVMFHYUYWYFMW-HWWDLCQESA-N 2 0 390.484 0.688 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415754444 1188158874 /nfs/dbraw/zinc/15/88/74/1188158874.db2.gz ZMLDPMDQOKVLRC-ZWKOTPCHSA-N 2 0 385.512 0.440 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H]([NH3+])CC ZINC000415780583 1188163706 /nfs/dbraw/zinc/16/37/06/1188163706.db2.gz CWPZOTGBXBWFRT-CQSZACIVSA-N 2 0 377.489 0.629 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896734 1188165515 /nfs/dbraw/zinc/16/55/15/1188165515.db2.gz AHMBOIRVGQQREP-MOPGFXCFSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000415834383 1189377894 /nfs/dbraw/zinc/37/78/94/1189377894.db2.gz ALHPDZVXKBMSSL-GJZGRUSLSA-N 2 0 389.500 0.959 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C[C@H]1C[NH3+] ZINC000415845952 1189379388 /nfs/dbraw/zinc/37/93/88/1189379388.db2.gz KIUZIWXCIGOONP-HUUCEWRRSA-N 2 0 389.500 0.936 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472915282 1189384337 /nfs/dbraw/zinc/38/43/37/1189384337.db2.gz RKLUVWSTIMBZMB-ZWKOTPCHSA-N 2 0 381.565 0.813 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)c2)CC1 ZINC000415864304 1189386050 /nfs/dbraw/zinc/38/60/50/1189386050.db2.gz SIPLMEXCBPGPQH-GOSISDBHSA-N 2 0 389.500 0.343 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415873413 1189391738 /nfs/dbraw/zinc/39/17/38/1189391738.db2.gz UULPVWACVOMJOZ-DLBZAZTESA-N 2 0 385.512 0.835 20 0 GCADRP CN(CC[NH3+])C(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000415880343 1189394827 /nfs/dbraw/zinc/39/48/27/1189394827.db2.gz RNCUHBFUTLDMIS-UHFFFAOYSA-N 2 0 396.495 0.759 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC3=CC[NH2+]CC3)c2)CC1 ZINC000415882937 1189396261 /nfs/dbraw/zinc/39/62/61/1189396261.db2.gz XPIQXZGYJQGQNG-UHFFFAOYSA-N 2 0 385.512 0.799 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000415932628 1189406277 /nfs/dbraw/zinc/40/62/77/1189406277.db2.gz DLMIILFUAKQHGL-UHFFFAOYSA-N 2 0 375.473 0.796 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1ccc(CC[NH3+])n1 ZINC001167727748 1189419592 /nfs/dbraw/zinc/41/95/92/1189419592.db2.gz BWFNJAJFSLNPIY-AWEZNQCLSA-N 2 0 375.473 0.874 20 0 GCADRP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041641144 1189455543 /nfs/dbraw/zinc/45/55/43/1189455543.db2.gz BXPXRUNEKHMHDD-MRXNPFEDSA-N 2 0 375.517 0.829 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[NH+]4CCN3CCC4)cc2)C1 ZINC000378320661 1189475013 /nfs/dbraw/zinc/47/50/13/1189475013.db2.gz VOEDIVLGSHRSPN-MJGOQNOKSA-N 2 0 385.512 0.712 20 0 GCADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000893230120 1189500727 /nfs/dbraw/zinc/50/07/27/1189500727.db2.gz AEKAPLYCAOUDAA-JQHSSLGASA-N 2 0 381.542 0.688 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000378510891 1189524057 /nfs/dbraw/zinc/52/40/57/1189524057.db2.gz JEJBYCIGPVCVOG-ZWKOTPCHSA-N 2 0 398.548 0.966 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H](CN4CCOCC4)C3)n2)CC1 ZINC000330214670 1189550738 /nfs/dbraw/zinc/55/07/38/1189550738.db2.gz LVYGAWIUHDZLGT-MRXNPFEDSA-N 2 0 376.505 1.336 20 0 GCADRP COc1ccc([C@@H](CNC(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)cc1OC ZINC000416825970 1189587019 /nfs/dbraw/zinc/58/70/19/1189587019.db2.gz LVHYLWRSVZRJLQ-MRXNPFEDSA-N 2 0 379.505 0.511 20 0 GCADRP CO[C@H]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000416833014 1189587218 /nfs/dbraw/zinc/58/72/18/1189587218.db2.gz CCUYHSHUPGRAIL-PMACEKPBSA-N 2 0 389.544 0.952 20 0 GCADRP CO[C@H]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000416833022 1189587591 /nfs/dbraw/zinc/58/75/91/1189587591.db2.gz CCUYHSHUPGRAIL-UXHICEINSA-N 2 0 389.544 0.952 20 0 GCADRP COC[C@]1(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000416835614 1189587923 /nfs/dbraw/zinc/58/79/23/1189587923.db2.gz FPMVERCSVDUOGS-OAQYLSRUSA-N 2 0 389.544 0.872 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000416854258 1189589029 /nfs/dbraw/zinc/58/90/29/1189589029.db2.gz UZQIKQJQBWMDHN-ZWKOTPCHSA-N 2 0 375.517 0.656 20 0 GCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151985732 1189593623 /nfs/dbraw/zinc/59/36/23/1189593623.db2.gz HLYPUBAKFKGTKC-BZUAXINKSA-N 2 0 378.521 0.866 20 0 GCADRP [NH3+]C1(CNC(=O)NCCCN2CCN(c3ncccn3)CC2)CCCCC1 ZINC000416952904 1189599936 /nfs/dbraw/zinc/59/99/36/1189599936.db2.gz OKVQPUJMCJRSKN-UHFFFAOYSA-N 2 0 375.521 0.950 20 0 GCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000416963484 1189600775 /nfs/dbraw/zinc/60/07/75/1189600775.db2.gz ZGCZPEHBDFEMMB-SJORKVTESA-N 2 0 375.521 0.805 20 0 GCADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000511594763 1189604906 /nfs/dbraw/zinc/60/49/06/1189604906.db2.gz DCMHNYUPHMLDOP-DLBZAZTESA-N 2 0 382.549 0.839 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000416981622 1189605726 /nfs/dbraw/zinc/60/57/26/1189605726.db2.gz CTGQTESTCUZRLZ-FQEVSTJZSA-N 2 0 388.560 0.527 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014816 1189607973 /nfs/dbraw/zinc/60/79/73/1189607973.db2.gz FYHUKMSCIUXZKW-OALUTQOASA-N 2 0 375.517 0.653 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000417024396 1189609236 /nfs/dbraw/zinc/60/92/36/1189609236.db2.gz QADZYLNYYIUUAY-LJQANCHMSA-N 2 0 375.517 0.876 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NCCN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000417026186 1189609811 /nfs/dbraw/zinc/60/98/11/1189609811.db2.gz SMXDSOQXERCLSB-FQEVSTJZSA-N 2 0 388.560 0.570 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000417159100 1189626313 /nfs/dbraw/zinc/62/63/13/1189626313.db2.gz BUEDRKCJVRJIFD-NVXWUHKLSA-N 2 0 379.480 0.925 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000417158775 1189626518 /nfs/dbraw/zinc/62/65/18/1189626518.db2.gz OCAPUIMTHIBYEX-OAHLLOKOSA-N 2 0 377.455 0.996 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641758177 1189640172 /nfs/dbraw/zinc/64/01/72/1189640172.db2.gz JTVGQJIPAVNFBK-CEXWTWQISA-N 2 0 379.549 0.709 20 0 GCADRP COC[C@]1(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000417301735 1189641422 /nfs/dbraw/zinc/64/14/22/1189641422.db2.gz AMQRVUVNYRNBIT-LJQANCHMSA-N 2 0 376.505 0.401 20 0 GCADRP COCC[NH+]1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417301593 1189641540 /nfs/dbraw/zinc/64/15/40/1189641540.db2.gz VLYGVEDJCNABQO-AWEZNQCLSA-N 2 0 381.443 0.233 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417365625 1189653892 /nfs/dbraw/zinc/65/38/92/1189653892.db2.gz NXZRWDAVFAQLDB-GOSISDBHSA-N 2 0 375.517 0.816 20 0 GCADRP COC[C@]1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000417383705 1189655612 /nfs/dbraw/zinc/65/56/12/1189655612.db2.gz KOJUGVLTICBPNF-HXUWFJFHSA-N 3 0 390.532 0.662 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417435344 1189661994 /nfs/dbraw/zinc/66/19/94/1189661994.db2.gz YGDSPIUZKNUFKU-BZSNNMDCSA-N 2 0 379.549 0.960 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000417434986 1189662078 /nfs/dbraw/zinc/66/20/78/1189662078.db2.gz AWWPTUFIYHROOC-KRWDZBQOSA-N 2 0 395.548 0.341 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417429269 1189663202 /nfs/dbraw/zinc/66/32/02/1189663202.db2.gz MSRUIIVKBYJUPB-ZWKOTPCHSA-N 2 0 379.549 0.960 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(CC[NH3+])CCO)CC1 ZINC000417432493 1189663824 /nfs/dbraw/zinc/66/38/24/1189663824.db2.gz TYHRCAUAMBYLRQ-OAHLLOKOSA-N 2 0 381.496 0.991 20 0 GCADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000641798621 1189678439 /nfs/dbraw/zinc/67/84/39/1189678439.db2.gz OPEHPDRDIBNSBY-LJQANCHMSA-N 2 0 381.565 0.957 20 0 GCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000584852702 1189692067 /nfs/dbraw/zinc/69/20/67/1189692067.db2.gz CPHKIAYILILGID-INIZCTEOSA-N 2 0 388.516 0.002 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000584860472 1189694056 /nfs/dbraw/zinc/69/40/56/1189694056.db2.gz RUWNKWVVUJKFTB-MOPGFXCFSA-N 2 0 394.560 0.671 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000417669832 1189694361 /nfs/dbraw/zinc/69/43/61/1189694361.db2.gz MYIDGXRPVZEWEV-QYZOEREBSA-N 2 0 381.565 0.813 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[C@@H](C)C1 ZINC000417673863 1189695154 /nfs/dbraw/zinc/69/51/54/1189695154.db2.gz XLKCJBRSNBGSSD-OTWHNJEPSA-N 2 0 381.565 0.813 20 0 GCADRP C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000417758046 1189702651 /nfs/dbraw/zinc/70/26/51/1189702651.db2.gz UOMUNHWRECFZSL-GJZGRUSLSA-N 2 0 394.486 0.005 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668911448 1189717841 /nfs/dbraw/zinc/71/78/41/1189717841.db2.gz SPCHVCYENVLXLX-MSOLQXFVSA-N 2 0 393.576 0.508 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418333275 1189760912 /nfs/dbraw/zinc/76/09/12/1189760912.db2.gz DYEISHILBQWRNU-ROUUACIJSA-N 2 0 375.517 0.574 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000660532385 1189892387 /nfs/dbraw/zinc/89/23/87/1189892387.db2.gz HVPBNSWKSOKIHC-OKZBNKHCSA-N 2 0 378.517 0.110 20 0 GCADRP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000660535832 1189894281 /nfs/dbraw/zinc/89/42/81/1189894281.db2.gz LFGLFROGVHYQAG-IPMKNSEASA-N 2 0 391.560 0.168 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)CC2)c1 ZINC000662718457 1190004542 /nfs/dbraw/zinc/00/45/42/1190004542.db2.gz OGOVZMOALKHFQL-OAHLLOKOSA-N 2 0 385.472 0.959 20 0 GCADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)cn2)CC1 ZINC000662784857 1190029141 /nfs/dbraw/zinc/02/91/41/1190029141.db2.gz DVBYKWDYFJCSQU-MRXNPFEDSA-N 2 0 384.488 0.992 20 0 GCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000662789479 1190030195 /nfs/dbraw/zinc/03/01/95/1190030195.db2.gz BTPKGHNTYQDWDP-YJBOKZPZSA-N 2 0 388.516 0.786 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000411019801 1193721177 /nfs/dbraw/zinc/72/11/77/1193721177.db2.gz FVFPIFVECVVNBR-QZTJIDSGSA-N 2 0 380.533 0.498 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000246500048 1193721855 /nfs/dbraw/zinc/72/18/55/1193721855.db2.gz HMNGMIABUJKYCD-PZJWPPBQSA-N 2 0 391.560 0.977 20 0 GCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419223865 1193722820 /nfs/dbraw/zinc/72/28/20/1193722820.db2.gz YSHQNQIYIGLSPW-SFHVURJKSA-N 2 0 376.501 0.719 20 0 GCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419224357 1193723847 /nfs/dbraw/zinc/72/38/47/1193723847.db2.gz ZHSQHAPSTBEFJV-GOSISDBHSA-N 2 0 376.501 0.638 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419233223 1193742905 /nfs/dbraw/zinc/74/29/05/1193742905.db2.gz VWUVFSRCJQYQIJ-BHIYHBOVSA-N 2 0 388.512 0.508 20 0 GCADRP CN(C)S(=O)(=O)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433112430 1193753145 /nfs/dbraw/zinc/75/31/45/1193753145.db2.gz AUVKWWLRKOYTMS-UHFFFAOYSA-N 2 0 382.530 0.756 20 0 GCADRP C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433160635 1193768369 /nfs/dbraw/zinc/76/83/69/1193768369.db2.gz HMAYBEKGFPYAKW-SFHVURJKSA-N 2 0 393.576 0.735 20 0 GCADRP CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433164000 1193770347 /nfs/dbraw/zinc/77/03/47/1193770347.db2.gz ZEOMCYLWOFKUHN-CQSZACIVSA-N 2 0 382.530 0.975 20 0 GCADRP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000051960144 1193773327 /nfs/dbraw/zinc/77/33/27/1193773327.db2.gz KJARRYQEHODBHU-UHFFFAOYSA-N 2 0 378.517 0.111 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000419265406 1193774380 /nfs/dbraw/zinc/77/43/80/1193774380.db2.gz DREMPWBTCYTAIB-RBUKOAKNSA-N 2 0 388.512 0.863 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419284212 1193784128 /nfs/dbraw/zinc/78/41/28/1193784128.db2.gz KRVROLJBAZXSHE-IBGZPJMESA-N 2 0 388.512 0.783 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419288335 1193787653 /nfs/dbraw/zinc/78/76/53/1193787653.db2.gz SSMJLMBIZFWMDO-KGLIPLIRSA-N 2 0 379.480 0.560 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419291346 1193788454 /nfs/dbraw/zinc/78/84/54/1193788454.db2.gz WPHDJQZFUHOKKQ-RHSMWYFYSA-N 2 0 393.507 0.854 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419297534 1193792989 /nfs/dbraw/zinc/79/29/89/1193792989.db2.gz GNCBQLRHRCQFTO-HNNXBMFYSA-N 2 0 393.507 0.871 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419301411 1193795518 /nfs/dbraw/zinc/79/55/18/1193795518.db2.gz NXGBJMRIBMGTFL-AWEZNQCLSA-N 2 0 379.480 0.480 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419304285 1193796349 /nfs/dbraw/zinc/79/63/49/1193796349.db2.gz ULKUYMMDWSPNHE-LSDHHAIUSA-N 2 0 391.491 0.562 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419305545 1193797136 /nfs/dbraw/zinc/79/71/36/1193797136.db2.gz XBWJEAVLMVKRRL-GJZGRUSLSA-N 2 0 393.507 0.856 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419305546 1193797187 /nfs/dbraw/zinc/79/71/87/1193797187.db2.gz XBWJEAVLMVKRRL-HUUCEWRRSA-N 2 0 393.507 0.856 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419324812 1193818779 /nfs/dbraw/zinc/81/87/79/1193818779.db2.gz AVBMNQDMYUWGOT-QGZVFWFLSA-N 2 0 392.500 0.210 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000419329439 1193822308 /nfs/dbraw/zinc/82/23/08/1193822308.db2.gz FJCDNOIIWFIZTO-IBGZPJMESA-N 2 0 387.528 0.309 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000419333116 1193826079 /nfs/dbraw/zinc/82/60/79/1193826079.db2.gz IIYXJGYWTQLADN-MRXNPFEDSA-N 2 0 375.517 0.246 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000419334537 1193826753 /nfs/dbraw/zinc/82/67/53/1193826753.db2.gz JAAPDUDFWXIHBT-UHFFFAOYSA-N 2 0 376.501 0.845 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419337254 1193834067 /nfs/dbraw/zinc/83/40/67/1193834067.db2.gz KUYUCIRKXAYITJ-UHFFFAOYSA-N 2 0 376.501 0.892 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000419342341 1193834419 /nfs/dbraw/zinc/83/44/19/1193834419.db2.gz PCSWTHIAPGZCGC-LJQANCHMSA-N 2 0 387.528 0.390 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419344592 1193837579 /nfs/dbraw/zinc/83/75/79/1193837579.db2.gz SDAQMGWKDSYZJA-INIZCTEOSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000419344905 1193840818 /nfs/dbraw/zinc/84/08/18/1193840818.db2.gz SPCGRLQKLRVJOD-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)Nc2ccn(CCN3CCOCC3)n2)CCCO1 ZINC000433504443 1193883439 /nfs/dbraw/zinc/88/34/39/1193883439.db2.gz WRZNNIXBCRISRW-KRWDZBQOSA-N 2 0 394.520 0.838 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC[NH2+]1 ZINC000419388969 1193900294 /nfs/dbraw/zinc/90/02/94/1193900294.db2.gz KUYIPRSWESLTEI-IAOVAPTHSA-N 2 0 394.903 0.648 20 0 GCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000513219083 1193923193 /nfs/dbraw/zinc/92/31/93/1193923193.db2.gz NONGGUNBSFCLKC-GJZGRUSLSA-N 2 0 379.505 0.287 20 0 GCADRP COC(=O)[C@@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+](C)C1 ZINC001670798394 1193932433 /nfs/dbraw/zinc/93/24/33/1193932433.db2.gz ABVMVDCNVHPUIX-AWEZNQCLSA-N 2 0 378.477 0.718 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333429580 1193939239 /nfs/dbraw/zinc/93/92/39/1193939239.db2.gz UKIVRCKKMQUNDI-IBGZPJMESA-N 2 0 393.576 0.958 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664176203 1193950994 /nfs/dbraw/zinc/95/09/94/1193950994.db2.gz SVSJBRAUYSVCOY-IBGZPJMESA-N 2 0 381.565 0.910 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C2)CC1 ZINC000513457195 1193953097 /nfs/dbraw/zinc/95/30/97/1193953097.db2.gz IGMVIBMPOACLSE-DLBZAZTESA-N 2 0 381.565 0.317 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513457154 1193953170 /nfs/dbraw/zinc/95/31/70/1193953170.db2.gz HYOZHIVEAWZGTQ-INIZCTEOSA-N 2 0 382.549 0.650 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000513491757 1193956080 /nfs/dbraw/zinc/95/60/80/1193956080.db2.gz JHFPBTBMOWQALY-HZPDHXFCSA-N 2 0 382.549 0.791 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2)c1 ZINC000513494376 1193956485 /nfs/dbraw/zinc/95/64/85/1193956485.db2.gz WHSRUGUKCHRDTR-OAHLLOKOSA-N 2 0 391.516 0.831 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000513579416 1193964200 /nfs/dbraw/zinc/96/42/00/1193964200.db2.gz HYBVYMRZSBCNIZ-HNNXBMFYSA-N 2 0 389.500 0.925 20 0 GCADRP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CCN1C ZINC000549942891 1193967843 /nfs/dbraw/zinc/96/78/43/1193967843.db2.gz HZCJTCIWSGBETP-SFHVURJKSA-N 2 0 394.560 0.936 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000419401301 1194019937 /nfs/dbraw/zinc/01/99/37/1194019937.db2.gz APMUOTWBAXNLKY-ROUUACIJSA-N 2 0 380.533 0.579 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000419402275 1194020054 /nfs/dbraw/zinc/02/00/54/1194020054.db2.gz CBKPLFXETVIFEK-KBAYOESNSA-N 2 0 380.533 0.579 20 0 GCADRP C[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404910 1194021024 /nfs/dbraw/zinc/02/10/24/1194021024.db2.gz UHLQJCCVOIITGN-HKUYNNGSSA-N 2 0 387.528 0.035 20 0 GCADRP C[N@H+](CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000419402994 1194021091 /nfs/dbraw/zinc/02/10/91/1194021091.db2.gz CVXKWCUBWYNBQC-MRXNPFEDSA-N 2 0 395.548 0.071 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419419314 1194022749 /nfs/dbraw/zinc/02/27/49/1194022749.db2.gz JEDDCUAGGPIJJD-CRAIPNDOSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419421764 1194023732 /nfs/dbraw/zinc/02/37/32/1194023732.db2.gz PNLFFCWDQBLFAD-ZWKOTPCHSA-N 2 0 387.528 0.511 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419421763 1194023739 /nfs/dbraw/zinc/02/37/39/1194023739.db2.gz PNLFFCWDQBLFAD-ROUUACIJSA-N 2 0 387.528 0.511 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420922 1194024254 /nfs/dbraw/zinc/02/42/54/1194024254.db2.gz NYRBVUNNVJNKIJ-OALUTQOASA-N 2 0 387.528 0.350 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424769 1194025371 /nfs/dbraw/zinc/02/53/71/1194025371.db2.gz URIJZWRCRNDJAS-RTBURBONSA-N 2 0 387.528 0.431 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419426778 1194026954 /nfs/dbraw/zinc/02/69/54/1194026954.db2.gz YCNBMIJJKSYZNB-SFHVURJKSA-N 2 0 375.517 0.414 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000419427021 1194027298 /nfs/dbraw/zinc/02/72/98/1194027298.db2.gz YGRDBEWCZPZUMT-HKUYNNGSSA-N 2 0 387.528 0.511 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000419410133 1194028809 /nfs/dbraw/zinc/02/88/09/1194028809.db2.gz OFZDLCCIDMPVKS-ZACQAIPSSA-N 2 0 380.464 0.509 20 0 GCADRP CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419411342 1194029556 /nfs/dbraw/zinc/02/95/56/1194029556.db2.gz HORVYGVZDPXSID-RBUKOAKNSA-N 2 0 388.512 0.650 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419411403 1194029713 /nfs/dbraw/zinc/02/97/13/1194029713.db2.gz BNHMPGPNGLRHNN-GOSISDBHSA-N 2 0 375.517 0.337 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000419414861 1194031272 /nfs/dbraw/zinc/03/12/72/1194031272.db2.gz HHFMNHHOLIIRJH-RTBURBONSA-N 2 0 387.528 0.302 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419414269 1194031662 /nfs/dbraw/zinc/03/16/62/1194031662.db2.gz GMSREXZLDYLZNU-LJQANCHMSA-N 2 0 387.528 0.350 20 0 GCADRP CC[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419416490 1194032097 /nfs/dbraw/zinc/03/20/97/1194032097.db2.gz WHXYENXPKAVCAA-RTBURBONSA-N 2 0 388.512 0.516 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000419417419 1194032310 /nfs/dbraw/zinc/03/23/10/1194032310.db2.gz KCNNJUGSRCIEMI-AABGKKOBSA-N 2 0 399.539 0.302 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419445755 1194035545 /nfs/dbraw/zinc/03/55/45/1194035545.db2.gz FDNDIJIIQHOUSJ-MSOLQXFVSA-N 2 0 387.528 0.429 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419445698 1194036007 /nfs/dbraw/zinc/03/60/07/1194036007.db2.gz FBQXQFPRVNGGOO-SQNIBIBYSA-N 2 0 387.528 0.557 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419480885 1194040494 /nfs/dbraw/zinc/04/04/94/1194040494.db2.gz NSUWMOALMNTTKX-SJORKVTESA-N 2 0 395.548 0.071 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419482508 1194041484 /nfs/dbraw/zinc/04/14/84/1194041484.db2.gz QKKWDFZPZLINAY-XWTMOSNGSA-N 2 0 382.549 0.825 20 0 GCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000419468072 1194043211 /nfs/dbraw/zinc/04/32/11/1194043211.db2.gz AQFYSPXTAKRAER-NEWSRXKRSA-N 2 0 388.512 0.508 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000419505775 1194046536 /nfs/dbraw/zinc/04/65/36/1194046536.db2.gz KXVZYCITUIERIW-MRXNPFEDSA-N 2 0 392.500 0.080 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419533825 1194050082 /nfs/dbraw/zinc/05/00/82/1194050082.db2.gz JFFIIQUDFPABSW-MSOLQXFVSA-N 2 0 376.501 0.762 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000419514623 1194051775 /nfs/dbraw/zinc/05/17/75/1194051775.db2.gz PDIMUPVPTIREIP-SFHVURJKSA-N 2 0 387.528 0.444 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000419518266 1194052380 /nfs/dbraw/zinc/05/23/80/1194052380.db2.gz YNQFHLXYYDAEBL-KDURUIRLSA-N 2 0 399.539 0.301 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000419537402 1194055557 /nfs/dbraw/zinc/05/55/57/1194055557.db2.gz NLBRSFXIBRAUEM-SJLPKXTDSA-N 2 0 376.501 0.633 20 0 GCADRP COC[C@@H](NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419543964 1194056166 /nfs/dbraw/zinc/05/61/66/1194056166.db2.gz URUFKJGIGVHFMU-GOSISDBHSA-N 2 0 388.512 0.637 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000419560705 1194061086 /nfs/dbraw/zinc/06/10/86/1194061086.db2.gz RKRXSVDVYOOEEK-QZHFEQFPSA-N 2 0 388.512 0.856 20 0 GCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000419565653 1194062108 /nfs/dbraw/zinc/06/21/08/1194062108.db2.gz ZXHYYNRAEAGYDI-MPTYRVRUSA-N 2 0 376.526 0.925 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@H](C)C[NH2+]1 ZINC000419584383 1194065110 /nfs/dbraw/zinc/06/51/10/1194065110.db2.gz ATMHDASNQPZPOF-HZPDHXFCSA-N 2 0 388.512 0.468 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000419597731 1194068557 /nfs/dbraw/zinc/06/85/57/1194068557.db2.gz HGQAAMQQAIKXDH-HOTGVXAUSA-N 2 0 388.512 0.468 20 0 GCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419653804 1194073989 /nfs/dbraw/zinc/07/39/89/1194073989.db2.gz RIFYMSHFYGBZGD-NVXWUHKLSA-N 2 0 376.501 0.808 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419649501 1194076772 /nfs/dbraw/zinc/07/67/72/1194076772.db2.gz BWMABNBTDKYCPH-WBVHZDCISA-N 2 0 376.501 0.481 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000419663148 1194077355 /nfs/dbraw/zinc/07/73/55/1194077355.db2.gz POYGPPPBTMBDDX-QGZVFWFLSA-N 2 0 376.501 0.973 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000419663152 1194077495 /nfs/dbraw/zinc/07/74/95/1194077495.db2.gz PPBCSSZOJLUZTI-PKOBYXMFSA-N 2 0 390.528 0.919 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000419662378 1194077571 /nfs/dbraw/zinc/07/75/71/1194077571.db2.gz OJIWZGKZTHXCGN-OAQYLSRUSA-N 2 0 390.528 0.792 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665490 1194078120 /nfs/dbraw/zinc/07/81/20/1194078120.db2.gz ORTWUAAXLHOOJX-RHSMWYFYSA-N 2 0 389.500 0.643 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C[NH3+] ZINC000419666256 1194078971 /nfs/dbraw/zinc/07/89/71/1194078971.db2.gz VQQXJFZRYACKGJ-QFBILLFUSA-N 2 0 390.528 0.872 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419675413 1194079986 /nfs/dbraw/zinc/07/99/86/1194079986.db2.gz KLAZQZJHXXCBLY-DOTOQJQBSA-N 2 0 380.464 0.163 20 0 GCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000419659073 1194082074 /nfs/dbraw/zinc/08/20/74/1194082074.db2.gz ZURMGMUBDFDDRS-DOTOQJQBSA-N 2 0 376.501 0.727 20 0 GCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000419659074 1194082192 /nfs/dbraw/zinc/08/21/92/1194082192.db2.gz ZURMGMUBDFDDRS-NVXWUHKLSA-N 2 0 376.501 0.727 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419660991 1194082705 /nfs/dbraw/zinc/08/27/05/1194082705.db2.gz LWVVBLNOKAXYRN-SJLPKXTDSA-N 2 0 390.528 0.790 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419689064 1194084741 /nfs/dbraw/zinc/08/47/41/1194084741.db2.gz IEGRNVOSQJFQDE-KRWDZBQOSA-N 2 0 375.517 0.164 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419689803 1194085402 /nfs/dbraw/zinc/08/54/02/1194085402.db2.gz BBOGLTSCQXMLGO-JQHSSLGASA-N 2 0 390.528 0.347 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419694155 1194086199 /nfs/dbraw/zinc/08/61/99/1194086199.db2.gz ITQRBDPGQNUEAJ-KRWDZBQOSA-N 2 0 382.549 0.970 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1C[NH3+] ZINC000419696871 1194086651 /nfs/dbraw/zinc/08/66/51/1194086651.db2.gz VSFSPMJUZWGFNK-HOTGVXAUSA-N 2 0 382.574 0.908 20 0 GCADRP C[C@@]1(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC[NH2+]C1 ZINC000419696180 1194087049 /nfs/dbraw/zinc/08/70/49/1194087049.db2.gz UXFDZDCQSZRWKX-GOSISDBHSA-N 2 0 382.574 0.970 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000419697606 1194087402 /nfs/dbraw/zinc/08/74/02/1194087402.db2.gz WYTPBSUSMGPDOB-MRXNPFEDSA-N 2 0 382.574 0.922 20 0 GCADRP CC1(C)CC(NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC(C)(C)[NH2+]1 ZINC000419728639 1194088701 /nfs/dbraw/zinc/08/87/01/1194088701.db2.gz YSGKJEQDJIKBEF-HNNXBMFYSA-N 2 0 395.548 0.258 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000419731800 1194089245 /nfs/dbraw/zinc/08/92/45/1194089245.db2.gz RMJZLHXZOYICKV-MOPGFXCFSA-N 2 0 384.480 0.793 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000419712265 1194090910 /nfs/dbraw/zinc/09/09/10/1194090910.db2.gz LAZYSZVWYUKMIN-IRXDYDNUSA-N 2 0 395.548 0.213 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419713663 1194091080 /nfs/dbraw/zinc/09/10/80/1194091080.db2.gz WMNQEHJFPUYINC-NXWXRZEISA-N 2 0 388.512 0.730 20 0 GCADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419721943 1194092998 /nfs/dbraw/zinc/09/29/98/1194092998.db2.gz CUMXXNWOMSQWKY-QGZVFWFLSA-N 2 0 387.528 0.350 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419742778 1194094763 /nfs/dbraw/zinc/09/47/63/1194094763.db2.gz FFXYHIKRJBCZTB-UHFFFAOYSA-N 2 0 390.528 0.893 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000419748162 1194095705 /nfs/dbraw/zinc/09/57/05/1194095705.db2.gz FMJZHHSKGPBXEO-UAGQMJEPSA-N 2 0 380.533 0.578 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419748475 1194096049 /nfs/dbraw/zinc/09/60/49/1194096049.db2.gz VARJZXVWVBGGMA-MRXNPFEDSA-N 2 0 393.919 0.446 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Cc1ccc(F)cc1 ZINC000419754689 1194098074 /nfs/dbraw/zinc/09/80/74/1194098074.db2.gz BQQDPEZMUBWCTE-RYQLBKOJSA-N 2 0 376.476 0.960 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000419758243 1194098256 /nfs/dbraw/zinc/09/82/56/1194098256.db2.gz JRDKZIMUUNYDJR-LZLYRXPVSA-N 2 0 376.476 0.878 20 0 GCADRP CS[C@H](C)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419773694 1194102836 /nfs/dbraw/zinc/10/28/36/1194102836.db2.gz ZZCXAYAWEMGVOP-OAHLLOKOSA-N 2 0 378.542 0.964 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419777854 1194104168 /nfs/dbraw/zinc/10/41/68/1194104168.db2.gz NSXDMHGPCKIBNQ-RHSMWYFYSA-N 2 0 398.454 0.221 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000419792864 1194104691 /nfs/dbraw/zinc/10/46/91/1194104691.db2.gz AUJRTKKMBVWFPL-CQSZACIVSA-N 2 0 395.470 0.174 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419824210 1194110151 /nfs/dbraw/zinc/11/01/51/1194110151.db2.gz MNPYBBXPJUXVMB-QILLFSRXSA-N 2 0 376.476 0.927 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000419846534 1194113574 /nfs/dbraw/zinc/11/35/74/1194113574.db2.gz HHLQOXYWPIEOCY-UHFFFAOYSA-N 2 0 387.528 0.131 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)CC1 ZINC000419850481 1194114935 /nfs/dbraw/zinc/11/49/35/1194114935.db2.gz GIIZVQQZNCETJE-UHFFFAOYSA-N 2 0 379.549 0.262 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000419838245 1194117558 /nfs/dbraw/zinc/11/75/58/1194117558.db2.gz XNUIYCKWJPUKQN-GOSISDBHSA-N 2 0 389.544 0.364 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419854970 1194121427 /nfs/dbraw/zinc/12/14/27/1194121427.db2.gz PYZXOKOHYHVJIS-UHFFFAOYSA-N 2 0 393.507 0.127 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000419857910 1194122969 /nfs/dbraw/zinc/12/29/69/1194122969.db2.gz VTNRZXUGXCHJFR-UHFFFAOYSA-N 2 0 379.549 0.122 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419857378 1194123115 /nfs/dbraw/zinc/12/31/15/1194123115.db2.gz KCXCIMXSCALPDR-FGTMMUONSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863707 1194125613 /nfs/dbraw/zinc/12/56/13/1194125613.db2.gz IBGFZKPUSUGMKU-HKUYNNGSSA-N 2 0 387.528 0.035 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000419865263 1194125786 /nfs/dbraw/zinc/12/57/86/1194125786.db2.gz JUJGHCMCGURRII-GOSISDBHSA-N 2 0 379.549 0.122 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000419874174 1194128876 /nfs/dbraw/zinc/12/88/76/1194128876.db2.gz NHBVIPZOJSFBBN-NEWSRXKRSA-N 2 0 386.496 0.564 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000419874426 1194129598 /nfs/dbraw/zinc/12/95/98/1194129598.db2.gz WAJCQORWYZASID-IBGZPJMESA-N 2 0 387.528 0.116 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419877047 1194130192 /nfs/dbraw/zinc/13/01/92/1194130192.db2.gz WLWLYOPRHJWJEO-MOPGFXCFSA-N 2 0 393.576 0.511 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419896988 1194135907 /nfs/dbraw/zinc/13/59/07/1194135907.db2.gz VEJHSLSZXOOMQJ-ZWKOTPCHSA-N 2 0 381.565 0.508 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419901767 1194137316 /nfs/dbraw/zinc/13/73/16/1194137316.db2.gz UPVAHPMYZAVJQC-JZXOWHBKSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419901771 1194137440 /nfs/dbraw/zinc/13/74/40/1194137440.db2.gz UPVAHPMYZAVJQC-SOLBZPMBSA-N 2 0 380.533 0.593 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419915442 1194138011 /nfs/dbraw/zinc/13/80/11/1194138011.db2.gz PMEVVVJTRASYRQ-CQSZACIVSA-N 2 0 382.455 0.971 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419923874 1194139783 /nfs/dbraw/zinc/13/97/83/1194139783.db2.gz BOUGKIKLWJZEOD-OAHLLOKOSA-N 2 0 375.473 0.245 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419907477 1194141502 /nfs/dbraw/zinc/14/15/02/1194141502.db2.gz GBJUMGXCKAVWED-IRXDYDNUSA-N 2 0 382.549 0.840 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419911889 1194142895 /nfs/dbraw/zinc/14/28/95/1194142895.db2.gz KJFVBFMMIKJEQG-QZTJIDSGSA-N 2 0 376.501 0.762 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419950405 1194143190 /nfs/dbraw/zinc/14/31/90/1194143190.db2.gz MGSWNXZRDAAVDE-YESZJQIVSA-N 2 0 382.549 0.696 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419948844 1194143251 /nfs/dbraw/zinc/14/32/51/1194143251.db2.gz GMJZXDOAQMIXDQ-JZXOWHBKSA-N 2 0 382.549 0.824 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419938355 1194145225 /nfs/dbraw/zinc/14/52/25/1194145225.db2.gz PJMNGZLZQFDBTF-ZHALLVOQSA-N 2 0 394.560 0.983 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419940750 1194146457 /nfs/dbraw/zinc/14/64/57/1194146457.db2.gz VDWDGOZFAXZHEE-JFIYKMOQSA-N 2 0 380.533 0.593 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419959456 1194147803 /nfs/dbraw/zinc/14/78/03/1194147803.db2.gz DEGOGARBTAUPTJ-SFHVURJKSA-N 2 0 382.549 0.970 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000419968351 1194149008 /nfs/dbraw/zinc/14/90/08/1194149008.db2.gz DFEJQIXDGNMHIH-LPHOPBHVSA-N 2 0 393.576 0.637 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCCCC1 ZINC000419969037 1194149751 /nfs/dbraw/zinc/14/97/51/1194149751.db2.gz REVDZNALBFTBDH-SFHVURJKSA-N 2 0 380.533 0.581 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419977000 1194151270 /nfs/dbraw/zinc/15/12/70/1194151270.db2.gz MGFVQLQPYBSUJM-KURKYZTESA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419996940 1194154930 /nfs/dbraw/zinc/15/49/30/1194154930.db2.gz JKPUCKXNUWBKAL-GUDVDZBRSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419996946 1194155148 /nfs/dbraw/zinc/15/51/48/1194155148.db2.gz JKPUCKXNUWBKAL-QRVBRYPASA-N 2 0 393.576 0.509 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)o1 ZINC000420023595 1194158162 /nfs/dbraw/zinc/15/81/62/1194158162.db2.gz AUHIKPPSAQHILP-GOEBONIOSA-N 2 0 380.489 0.707 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420027538 1194159792 /nfs/dbraw/zinc/15/97/92/1194159792.db2.gz CMSJIWDUOXYMMH-OALUTQOASA-N 2 0 394.560 0.971 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000420062855 1194164822 /nfs/dbraw/zinc/16/48/22/1194164822.db2.gz NENMOMQRDBPULF-ROUUACIJSA-N 2 0 393.576 0.496 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000420038945 1194166392 /nfs/dbraw/zinc/16/63/92/1194166392.db2.gz NKMVJZDCNYDGJV-BZUAXINKSA-N 2 0 384.521 0.175 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420041652 1194166826 /nfs/dbraw/zinc/16/68/26/1194166826.db2.gz PYNRTECQAODNMP-YOEHRIQHSA-N 2 0 394.491 0.945 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420041383 1194166891 /nfs/dbraw/zinc/16/68/91/1194166891.db2.gz PYNRTECQAODNMP-PBHICJAKSA-N 2 0 394.491 0.945 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420053074 1194170036 /nfs/dbraw/zinc/17/00/36/1194170036.db2.gz GCLKJEZVDRLGBE-RYRKJORJSA-N 2 0 379.549 0.247 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420055167 1194170646 /nfs/dbraw/zinc/17/06/46/1194170646.db2.gz HQMDVRGUYFNVLU-SJLPKXTDSA-N 2 0 388.512 0.950 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000420083739 1194175028 /nfs/dbraw/zinc/17/50/28/1194175028.db2.gz UNYUNLIVNSMZIA-IAGOWNOFSA-N 2 0 381.565 0.637 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420089027 1194175450 /nfs/dbraw/zinc/17/54/50/1194175450.db2.gz RNAYAZXHODSXGC-UHFFFAOYSA-N 2 0 382.549 0.842 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420102539 1194177899 /nfs/dbraw/zinc/17/78/99/1194177899.db2.gz PWSXKZUAYNOORS-OAQYLSRUSA-N 2 0 390.528 0.716 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000420134286 1194184123 /nfs/dbraw/zinc/18/41/23/1194184123.db2.gz BKCRBZJJCWDIBY-MRXNPFEDSA-N 2 0 383.537 0.023 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000420162366 1194191694 /nfs/dbraw/zinc/19/16/94/1194191694.db2.gz KKLAUNUDPBIYLT-KURKYZTESA-N 2 0 393.576 0.365 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501586665 1194197152 /nfs/dbraw/zinc/19/71/52/1194197152.db2.gz GBCJVQPTIMROAV-KRWDZBQOSA-N 2 0 382.549 0.650 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589593 1194198263 /nfs/dbraw/zinc/19/82/63/1194198263.db2.gz POEDAWHYLLTFOC-KRWDZBQOSA-N 2 0 382.549 0.794 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501591331 1194198276 /nfs/dbraw/zinc/19/82/76/1194198276.db2.gz ULQLHUPJRUVUEY-MSOLQXFVSA-N 2 0 394.560 0.698 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501591333 1194198511 /nfs/dbraw/zinc/19/85/11/1194198511.db2.gz ULQLHUPJRUVUEY-ROUUACIJSA-N 2 0 394.560 0.698 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420186098 1194198788 /nfs/dbraw/zinc/19/87/88/1194198788.db2.gz PSYKULHVABOENH-HKUYNNGSSA-N 2 0 390.528 0.850 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CCO1 ZINC000420164446 1194198850 /nfs/dbraw/zinc/19/88/50/1194198850.db2.gz LYPVRBYDMBLUEP-WBVHZDCISA-N 2 0 380.533 0.593 20 0 GCADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261814885 1194199100 /nfs/dbraw/zinc/19/91/00/1194199100.db2.gz JVONRHFWXKRKAD-SZMVWBNQSA-N 2 0 388.516 0.496 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CCO1 ZINC000420164443 1194199148 /nfs/dbraw/zinc/19/91/48/1194199148.db2.gz LYPVRBYDMBLUEP-DOTOQJQBSA-N 2 0 380.533 0.593 20 0 GCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420170531 1194200122 /nfs/dbraw/zinc/20/01/22/1194200122.db2.gz SDRNCZYCZYXQQS-ROUUACIJSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420170245 1194200177 /nfs/dbraw/zinc/20/01/77/1194200177.db2.gz XDZDDQBSPFZPMG-ROUUACIJSA-N 2 0 391.560 0.429 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420172108 1194200877 /nfs/dbraw/zinc/20/08/77/1194200877.db2.gz SYBAQWYLXPPYRY-DJPFJPOOSA-N 2 0 388.512 0.339 20 0 GCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420174466 1194201116 /nfs/dbraw/zinc/20/11/16/1194201116.db2.gz YPDHFVPCJSRXNE-IRXDYDNUSA-N 2 0 380.533 0.452 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@H](C)O1 ZINC000420173626 1194201363 /nfs/dbraw/zinc/20/13/63/1194201363.db2.gz VQGWWHIYKWVPTJ-MJQMVNBJSA-N 2 0 394.560 0.981 20 0 GCADRP CC[C@@H]1COCCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420196840 1194201699 /nfs/dbraw/zinc/20/16/99/1194201699.db2.gz AALAOLLECBZJOL-GOSISDBHSA-N 2 0 388.512 0.734 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000420199198 1194202295 /nfs/dbraw/zinc/20/22/95/1194202295.db2.gz DNAWZFUMCNWMCX-IAGOWNOFSA-N 2 0 388.512 0.732 20 0 GCADRP C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420205082 1194204820 /nfs/dbraw/zinc/20/48/20/1194204820.db2.gz NHDVWRYCPGVMHF-FUHWJXTLSA-N 2 0 388.512 0.325 20 0 GCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C2)CC1 ZINC000420187112 1194206113 /nfs/dbraw/zinc/20/61/13/1194206113.db2.gz LSWIHVUQBQNAEM-ROUUACIJSA-N 2 0 380.533 0.452 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501592809 1194206708 /nfs/dbraw/zinc/20/67/08/1194206708.db2.gz XBTJAWGLNLWVDD-QRQLOZEOSA-N 2 0 392.544 0.689 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420192646 1194207621 /nfs/dbraw/zinc/20/76/21/1194207621.db2.gz QXDVKDCSJYECMB-MJGOQNOKSA-N 2 0 388.512 0.604 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000420210148 1194212002 /nfs/dbraw/zinc/21/20/02/1194212002.db2.gz NGMCTEKLMRVHBM-WNRNVDISSA-N 2 0 380.533 0.450 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000501612275 1194212413 /nfs/dbraw/zinc/21/24/13/1194212413.db2.gz IBAOQKFNVVAMSH-QGZVFWFLSA-N 2 0 392.544 0.690 20 0 GCADRP CN(CCn1cccn1)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420213973 1194214188 /nfs/dbraw/zinc/21/41/88/1194214188.db2.gz ZOHDLDILGAQQPY-UHFFFAOYSA-N 2 0 398.511 0.451 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@H](F)C[C@@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420213883 1194214219 /nfs/dbraw/zinc/21/42/19/1194214219.db2.gz YYQNBMKPBXQBAY-IAGOWNOFSA-N 2 0 392.475 0.027 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H](F)C[C@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420213884 1194214230 /nfs/dbraw/zinc/21/42/30/1194214230.db2.gz YYQNBMKPBXQBAY-IRXDYDNUSA-N 2 0 392.475 0.027 20 0 GCADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501642039 1194217784 /nfs/dbraw/zinc/21/77/84/1194217784.db2.gz QIUIAHAAQLTYRW-QGZVFWFLSA-N 2 0 380.533 0.282 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501648605 1194219264 /nfs/dbraw/zinc/21/92/64/1194219264.db2.gz YKDORIXNMGDQGA-FGTMMUONSA-N 2 0 394.560 0.840 20 0 GCADRP COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000420347469 1194222283 /nfs/dbraw/zinc/22/22/83/1194222283.db2.gz GUVIBJZWOQVQQH-AEFFLSMTSA-N 2 0 390.528 0.731 20 0 GCADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420351391 1194223331 /nfs/dbraw/zinc/22/33/31/1194223331.db2.gz WVCRBFVCCNDRMA-RBUKOAKNSA-N 2 0 376.476 0.705 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373869 1194225273 /nfs/dbraw/zinc/22/52/73/1194225273.db2.gz GYVLJCMXWBSWJC-RTBURBONSA-N 2 0 385.516 0.793 20 0 GCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420381336 1194225289 /nfs/dbraw/zinc/22/52/89/1194225289.db2.gz OUHQYBKZKKDITA-RAIGVLPGSA-N 2 0 380.411 0.981 20 0 GCADRP CNc1nc(NC2CCC([NH+](C)C)CC2)nc(NC2CCC([NH+](C)C)CC2)[nH+]1 ZINC000420634036 1194250101 /nfs/dbraw/zinc/25/01/01/1194250101.db2.gz ZAVVIVXJKLSDDO-UHFFFAOYSA-N 3 0 390.580 0.748 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000421168041 1194300712 /nfs/dbraw/zinc/30/07/12/1194300712.db2.gz MBABQZYKCNCINP-KRWDZBQOSA-N 2 0 388.516 0.002 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)N1CC[NH+](C)CC1 ZINC000421249665 1194317292 /nfs/dbraw/zinc/31/72/92/1194317292.db2.gz MLLFZNRAXALBOB-ROUUACIJSA-N 2 0 381.565 0.316 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000421406440 1194336887 /nfs/dbraw/zinc/33/68/87/1194336887.db2.gz UCLWWXCCEQBCOX-QGZVFWFLSA-N 2 0 376.501 0.796 20 0 GCADRP CCS(=O)(=O)N1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000502599209 1194339111 /nfs/dbraw/zinc/33/91/11/1194339111.db2.gz CHMOTOCBISJWLS-UHFFFAOYSA-N 2 0 390.594 0.780 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000422113965 1194393297 /nfs/dbraw/zinc/39/32/97/1194393297.db2.gz IHRMZBKUUMVEDE-LJQANCHMSA-N 2 0 393.576 0.556 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422136092 1194397654 /nfs/dbraw/zinc/39/76/54/1194397654.db2.gz KQHWUNXSEJYWTF-QRVBRYPASA-N 2 0 393.576 0.556 20 0 GCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000271728856 1194407569 /nfs/dbraw/zinc/40/75/69/1194407569.db2.gz ZGRGLGUJZPSMDB-UHFFFAOYSA-N 2 0 380.493 0.173 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)c2)CC1 ZINC000272391246 1194456161 /nfs/dbraw/zinc/45/61/61/1194456161.db2.gz XYSDCIXBZLDIGN-AZUAARDMSA-N 2 0 399.539 0.925 20 0 GCADRP O=C(CC(=O)NCC(F)(F)F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272390037 1194456205 /nfs/dbraw/zinc/45/62/05/1194456205.db2.gz KZEMEZITYOZCBC-UHFFFAOYSA-N 2 0 387.406 0.779 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272740430 1194494524 /nfs/dbraw/zinc/49/45/24/1194494524.db2.gz IJPLRCZBUBYPJG-HNNXBMFYSA-N 2 0 379.509 0.197 20 0 GCADRP CNc1nnc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000273518930 1194568318 /nfs/dbraw/zinc/56/83/18/1194568318.db2.gz AQPJHQSEULLWCN-UHFFFAOYSA-N 2 0 375.502 0.846 20 0 GCADRP CN(C)c1ncncc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000273648853 1194580582 /nfs/dbraw/zinc/58/05/82/1194580582.db2.gz DXLKCESYRDDMRE-UHFFFAOYSA-N 2 0 379.509 0.213 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000422283813 1194602581 /nfs/dbraw/zinc/60/25/81/1194602581.db2.gz HFZYXFVKAYNBGN-CVEARBPZSA-N 2 0 391.541 0.720 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000422290384 1194604384 /nfs/dbraw/zinc/60/43/84/1194604384.db2.gz AOQFMUGDJWXCJC-KRWDZBQOSA-N 2 0 380.533 0.689 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000422336208 1194619620 /nfs/dbraw/zinc/61/96/20/1194619620.db2.gz RXLZFUWQLYXQGR-UHFFFAOYSA-N 2 0 393.576 0.606 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422380314 1194629858 /nfs/dbraw/zinc/62/98/58/1194629858.db2.gz QRUJIKLBKIYTDX-SFHVURJKSA-N 2 0 394.560 0.938 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422380312 1194629968 /nfs/dbraw/zinc/62/99/68/1194629968.db2.gz QRUJIKLBKIYTDX-GOSISDBHSA-N 2 0 394.560 0.938 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422396445 1194635907 /nfs/dbraw/zinc/63/59/07/1194635907.db2.gz LDMAGVQFOFNJFQ-GOSISDBHSA-N 2 0 382.549 0.933 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000414658027 1194640927 /nfs/dbraw/zinc/64/09/27/1194640927.db2.gz IUYSEYSMAOHYRE-QGZVFWFLSA-N 2 0 390.484 0.580 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000422495627 1194652020 /nfs/dbraw/zinc/65/20/20/1194652020.db2.gz SLYWODFKDHXIMO-QGZVFWFLSA-N 2 0 380.533 0.405 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000422499107 1194652811 /nfs/dbraw/zinc/65/28/11/1194652811.db2.gz YTXNENPQAVYGLD-GOSISDBHSA-N 2 0 394.560 0.938 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422489044 1194655888 /nfs/dbraw/zinc/65/58/88/1194655888.db2.gz KZRUATQXKXERSR-DLBZAZTESA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422489047 1194655977 /nfs/dbraw/zinc/65/59/77/1194655977.db2.gz KZRUATQXKXERSR-SJORKVTESA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422489045 1194656008 /nfs/dbraw/zinc/65/60/08/1194656008.db2.gz KZRUATQXKXERSR-IAGOWNOFSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422489046 1194656126 /nfs/dbraw/zinc/65/61/26/1194656126.db2.gz KZRUATQXKXERSR-IRXDYDNUSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000422490169 1194656655 /nfs/dbraw/zinc/65/66/55/1194656655.db2.gz MKAKOHRXVJFVDB-ZWKOTPCHSA-N 2 0 393.576 0.461 20 0 GCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536755 1194665044 /nfs/dbraw/zinc/66/50/44/1194665044.db2.gz DMLBARRHXXMPRD-SCTDSRPQSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000503468013 1194674514 /nfs/dbraw/zinc/67/45/14/1194674514.db2.gz HLHSQDPJHJSXRE-HDICACEKSA-N 2 0 395.548 0.435 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H](C)O1 ZINC000414681449 1194687062 /nfs/dbraw/zinc/68/70/62/1194687062.db2.gz PGRUDPIZTCMDBZ-GJZGRUSLSA-N 2 0 378.473 0.578 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@@H](C)O1 ZINC000414681451 1194687186 /nfs/dbraw/zinc/68/71/86/1194687186.db2.gz PGRUDPIZTCMDBZ-HUUCEWRRSA-N 2 0 378.473 0.578 20 0 GCADRP CCCNC(=O)CN1CCC([NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422850290 1194702726 /nfs/dbraw/zinc/70/27/26/1194702726.db2.gz VWIXQAMNVXGLAT-INIZCTEOSA-N 2 0 382.549 0.888 20 0 GCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422892872 1194707740 /nfs/dbraw/zinc/70/77/40/1194707740.db2.gz ZNXAONHSSBPMNA-GBESFXJTSA-N 2 0 388.512 0.767 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000423029990 1194719849 /nfs/dbraw/zinc/71/98/49/1194719849.db2.gz AZUCOTOPRNJFSM-KRWDZBQOSA-N 2 0 376.476 0.928 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC12CCOCC2 ZINC000423059670 1194722877 /nfs/dbraw/zinc/72/28/77/1194722877.db2.gz MMQYPCWYZFPLNZ-QGZVFWFLSA-N 2 0 392.544 0.677 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423093388 1194726758 /nfs/dbraw/zinc/72/67/58/1194726758.db2.gz HIBBCPZRIYJBSV-NVXWUHKLSA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423093387 1194726944 /nfs/dbraw/zinc/72/69/44/1194726944.db2.gz HIBBCPZRIYJBSV-DOTOQJQBSA-N 2 0 376.476 0.784 20 0 GCADRP CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423142716 1194733689 /nfs/dbraw/zinc/73/36/89/1194733689.db2.gz BINGFWFELKOCLZ-RTBURBONSA-N 2 0 388.512 0.686 20 0 GCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423185437 1194733898 /nfs/dbraw/zinc/73/38/98/1194733898.db2.gz JKNOMLJJCPQMCY-IBGZPJMESA-N 2 0 393.576 0.463 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423163775 1194734359 /nfs/dbraw/zinc/73/43/59/1194734359.db2.gz NICBUUWEXXDIQS-VAMGGRTRSA-N 2 0 399.539 0.962 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423164698 1194734441 /nfs/dbraw/zinc/73/44/41/1194734441.db2.gz OXILWHVEPNXRDD-FUHWJXTLSA-N 2 0 376.476 0.926 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423161292 1194734700 /nfs/dbraw/zinc/73/47/00/1194734700.db2.gz IQJZZBXAMVCVOJ-RBUKOAKNSA-N 2 0 387.528 0.962 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423163774 1194734712 /nfs/dbraw/zinc/73/47/12/1194734712.db2.gz NICBUUWEXXDIQS-SLFFLAALSA-N 2 0 399.539 0.962 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423161291 1194734760 /nfs/dbraw/zinc/73/47/60/1194734760.db2.gz IQJZZBXAMVCVOJ-OALUTQOASA-N 2 0 387.528 0.962 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423167274 1194734945 /nfs/dbraw/zinc/73/49/45/1194734945.db2.gz RWPNIIOGVIZHTJ-OTWHNJEPSA-N 2 0 385.512 0.572 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423171572 1194735010 /nfs/dbraw/zinc/73/50/10/1194735010.db2.gz PAEXRMAIKICGSZ-KRWDZBQOSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423170710 1194735738 /nfs/dbraw/zinc/73/57/38/1194735738.db2.gz YPJRDLCKHQCESK-KRWDZBQOSA-N 2 0 380.464 0.292 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423209759 1194737035 /nfs/dbraw/zinc/73/70/35/1194737035.db2.gz VMXGCJWBOWPRQR-KRWDZBQOSA-N 2 0 380.464 0.292 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423207755 1194737065 /nfs/dbraw/zinc/73/70/65/1194737065.db2.gz SFTLPSLKNABOKS-HNNXBMFYSA-N 2 0 398.454 0.431 20 0 GCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000423216859 1194740715 /nfs/dbraw/zinc/74/07/15/1194740715.db2.gz PFLRCALOXJAHBU-UHFFFAOYSA-N 2 0 394.560 0.795 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H]1C[NH3+] ZINC000423217270 1194740751 /nfs/dbraw/zinc/74/07/51/1194740751.db2.gz PUESDTAFIIVPFZ-WMZOPIPTSA-N 2 0 380.533 0.391 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000423264426 1194742975 /nfs/dbraw/zinc/74/29/75/1194742975.db2.gz YSYGSQXMHHWQHD-HNNXBMFYSA-N 2 0 375.473 0.197 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000423255109 1194743995 /nfs/dbraw/zinc/74/39/95/1194743995.db2.gz AUEPRFKBTVOMTO-HUUCEWRRSA-N 2 0 375.473 0.325 20 0 GCADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)nc1 ZINC000423286940 1194744873 /nfs/dbraw/zinc/74/48/73/1194744873.db2.gz JNWOGWVNFREEPZ-UHFFFAOYSA-N 2 0 388.516 0.002 20 0 GCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423269154 1194745339 /nfs/dbraw/zinc/74/53/39/1194745339.db2.gz GUKRWZMDMJVSHL-FUHWJXTLSA-N 2 0 376.476 0.879 20 0 GCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423294391 1194747413 /nfs/dbraw/zinc/74/74/13/1194747413.db2.gz UJSVSPKIQAPAIN-NZSAHSFTSA-N 2 0 388.512 0.684 20 0 GCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)CC1 ZINC000423302448 1194748111 /nfs/dbraw/zinc/74/81/11/1194748111.db2.gz JMOMZUHKMZKFDK-CTWPCTMYSA-N 2 0 391.560 0.215 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423385387 1194752296 /nfs/dbraw/zinc/75/22/96/1194752296.db2.gz QWVKBHDFKADAQE-JFRXWTBNSA-N 2 0 391.560 0.199 20 0 GCADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000458849716 1194753111 /nfs/dbraw/zinc/75/31/11/1194753111.db2.gz SNORWRQFERSXRM-HXUWFJFHSA-N 2 0 376.501 0.645 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423397503 1194753603 /nfs/dbraw/zinc/75/36/03/1194753603.db2.gz SLZGZQPHPVDVFG-IAGOWNOFSA-N 2 0 380.533 0.533 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423442265 1194755448 /nfs/dbraw/zinc/75/54/48/1194755448.db2.gz JUJBEQPCNWNNAC-HKUYNNGSSA-N 2 0 394.560 0.923 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423452090 1194756451 /nfs/dbraw/zinc/75/64/51/1194756451.db2.gz VXMNOWHIDDLTQC-MOPGFXCFSA-N 2 0 394.560 0.651 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)C1 ZINC000423430960 1194756894 /nfs/dbraw/zinc/75/68/94/1194756894.db2.gz ACLFXYZPSUJHLI-SFHVURJKSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000423437533 1194757156 /nfs/dbraw/zinc/75/71/56/1194757156.db2.gz UHQGBDUZNBKHKW-IAGOWNOFSA-N 2 0 380.533 0.533 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000423468520 1194758451 /nfs/dbraw/zinc/75/84/51/1194758451.db2.gz BIMJDGGGILVJFS-KRWDZBQOSA-N 2 0 376.501 0.796 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000423470506 1194758612 /nfs/dbraw/zinc/75/86/12/1194758612.db2.gz WGQZIRAHDRHBHM-KRWDZBQOSA-N 2 0 393.576 0.461 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000423475191 1194758904 /nfs/dbraw/zinc/75/89/04/1194758904.db2.gz IOGNQFSISHYYEE-QAPCUYQASA-N 2 0 376.501 0.781 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1)CC1CC1 ZINC000423479324 1194758981 /nfs/dbraw/zinc/75/89/81/1194758981.db2.gz VCDBFXVQCSCTII-LJQANCHMSA-N 2 0 394.560 0.923 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000423475190 1194759042 /nfs/dbraw/zinc/75/90/42/1194759042.db2.gz IOGNQFSISHYYEE-MAUKXSAKSA-N 2 0 376.501 0.781 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423453610 1194759259 /nfs/dbraw/zinc/75/92/59/1194759259.db2.gz AYKTUAKKLARADB-IEBWSBKVSA-N 2 0 388.512 0.686 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423503139 1194759941 /nfs/dbraw/zinc/75/99/41/1194759941.db2.gz MPZZXVZCBDBFCP-JFIYKMOQSA-N 2 0 380.533 0.545 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423509541 1194760239 /nfs/dbraw/zinc/76/02/39/1194760239.db2.gz RNPYJXAASDOZND-IRXDYDNUSA-N 2 0 382.549 0.792 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000423484068 1194760367 /nfs/dbraw/zinc/76/03/67/1194760367.db2.gz TTYLJYREPYIOCH-PKOBYXMFSA-N 2 0 388.512 0.796 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)C1 ZINC000414747942 1194760617 /nfs/dbraw/zinc/76/06/17/1194760617.db2.gz VLZXKNDVYOGKKR-LJQANCHMSA-N 2 0 385.512 0.923 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423495091 1194761141 /nfs/dbraw/zinc/76/11/41/1194761141.db2.gz BPNWPBHLZIMUFB-ZHALLVOQSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423494212 1194761170 /nfs/dbraw/zinc/76/11/70/1194761170.db2.gz ACEVVCKISUUGHN-CBGDNZLLSA-N 2 0 394.560 0.922 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423531213 1194761617 /nfs/dbraw/zinc/76/16/17/1194761617.db2.gz XXEGBYZLVWUVAH-SZMVWBNQSA-N 2 0 380.533 0.532 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000423512339 1194761885 /nfs/dbraw/zinc/76/18/85/1194761885.db2.gz PTRPEDKSUCONDZ-SFHVURJKSA-N 2 0 393.576 0.461 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000423512338 1194762004 /nfs/dbraw/zinc/76/20/04/1194762004.db2.gz PTRPEDKSUCONDZ-GOSISDBHSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517636 1194762181 /nfs/dbraw/zinc/76/21/81/1194762181.db2.gz OFQDXRKDUWVIHA-AEFFLSMTSA-N 2 0 397.589 0.471 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000423518648 1194762392 /nfs/dbraw/zinc/76/23/92/1194762392.db2.gz ZOWZVQCUWFPZQY-GVDBMIGSSA-N 2 0 380.533 0.545 20 0 GCADRP C[C@@H](NC[C@H]1C[NH2+]CCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517681 1194762418 /nfs/dbraw/zinc/76/24/18/1194762418.db2.gz OFQDXRKDUWVIHA-SJLPKXTDSA-N 2 0 397.589 0.471 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423565360 1194767338 /nfs/dbraw/zinc/76/73/38/1194767338.db2.gz BFVLUWBTUVEHFZ-IAGOWNOFSA-N 2 0 380.533 0.674 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423572967 1194768532 /nfs/dbraw/zinc/76/85/32/1194768532.db2.gz QLCDAKLQSWEHSX-WIYYLYMNSA-N 2 0 388.512 0.292 20 0 GCADRP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000423582795 1194770392 /nfs/dbraw/zinc/77/03/92/1194770392.db2.gz YFIGTKMRYAXSHK-SOLBZPMBSA-N 2 0 390.532 0.472 20 0 GCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000423604332 1194772448 /nfs/dbraw/zinc/77/24/48/1194772448.db2.gz IBMUFLNMZHYIBS-GOSISDBHSA-N 2 0 387.528 0.083 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423605357 1194772495 /nfs/dbraw/zinc/77/24/95/1194772495.db2.gz HCNXXDNHANULQJ-IBGZPJMESA-N 2 0 387.528 0.083 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423595484 1194774961 /nfs/dbraw/zinc/77/49/61/1194774961.db2.gz PXBCCYUVFPUSJS-SCTDSRPQSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000423634941 1194776190 /nfs/dbraw/zinc/77/61/90/1194776190.db2.gz QZTUBISYGCPTNH-UONOGXRCSA-N 2 0 394.438 0.308 20 0 GCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423643909 1194777366 /nfs/dbraw/zinc/77/73/66/1194777366.db2.gz XSNYFEGUSQEIHU-WOJBJXKFSA-N 2 0 399.539 0.212 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423659215 1194780736 /nfs/dbraw/zinc/78/07/36/1194780736.db2.gz ZAHGXUYYCLIJSU-BLIXFSHQSA-N 2 0 388.512 0.278 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423667970 1194782221 /nfs/dbraw/zinc/78/22/21/1194782221.db2.gz VACIHBYYJBTFHE-OAHLLOKOSA-N 2 0 375.473 0.339 20 0 GCADRP CCCN(C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1)C1CC[NH2+]CC1 ZINC000423693971 1194783080 /nfs/dbraw/zinc/78/30/80/1194783080.db2.gz FEWMZGCXRPBIQL-SFHVURJKSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423698698 1194783502 /nfs/dbraw/zinc/78/35/02/1194783502.db2.gz PNQJRWCTNKFKFJ-SJLPKXTDSA-N 2 0 380.533 0.818 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2)CC1 ZINC000423676689 1194784896 /nfs/dbraw/zinc/78/48/96/1194784896.db2.gz GKNDTGQUIVWHAG-LJQANCHMSA-N 2 0 387.528 0.212 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000423688676 1194786206 /nfs/dbraw/zinc/78/62/06/1194786206.db2.gz BMWJHAODMVFZHB-WIYYLYMNSA-N 2 0 386.496 0.297 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423705950 1194786859 /nfs/dbraw/zinc/78/68/59/1194786859.db2.gz AFPYCOXXWFAWIH-DOTOQJQBSA-N 2 0 390.532 0.472 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)[C@H]1C[NH3+] ZINC000423718728 1194788401 /nfs/dbraw/zinc/78/84/01/1194788401.db2.gz BZXJFGVXWZBCJP-NUJGCVRESA-N 2 0 379.549 0.199 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423724506 1194789264 /nfs/dbraw/zinc/78/92/64/1194789264.db2.gz RLXNNXSRESUXCH-LJQANCHMSA-N 2 0 394.560 0.938 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423724323 1194789403 /nfs/dbraw/zinc/78/94/03/1194789403.db2.gz GXXQOJOWUSIUHA-DLBZAZTESA-N 2 0 398.548 0.158 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000423724050 1194789429 /nfs/dbraw/zinc/78/94/29/1194789429.db2.gz RGAHBHDTJXYIBI-QGZVFWFLSA-N 2 0 375.517 0.068 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423732619 1194790585 /nfs/dbraw/zinc/79/05/85/1194790585.db2.gz MUFREOVQORTXLQ-FUHWJXTLSA-N 2 0 398.548 0.158 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423704064 1194790592 /nfs/dbraw/zinc/79/05/92/1194790592.db2.gz LJPPNQAZWOCHLL-KRWDZBQOSA-N 2 0 393.576 0.604 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)CC1 ZINC000423748804 1194791557 /nfs/dbraw/zinc/79/15/57/1194791557.db2.gz ZUKCVGISGHLLRG-HKUYNNGSSA-N 2 0 393.576 0.589 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C[C@H]1[NH3+] ZINC000423737494 1194792495 /nfs/dbraw/zinc/79/24/95/1194792495.db2.gz GHKBZLDPESULTL-MISYRCLQSA-N 2 0 399.539 0.211 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000423735583 1194792530 /nfs/dbraw/zinc/79/25/30/1194792530.db2.gz DWMYPPLYBGVISS-SFHVURJKSA-N 2 0 379.549 0.073 20 0 GCADRP COc1ccc(S(=O)(=O)N2CCC([NH2+]CCCN3CC[NH2+]CC3)CC2)cc1 ZINC000414786760 1194811298 /nfs/dbraw/zinc/81/12/98/1194811298.db2.gz XXXXNUWPJSMWOF-UHFFFAOYSA-N 2 0 396.557 0.733 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)C[C@H]2[NH3+])cn1 ZINC000424452503 1194815263 /nfs/dbraw/zinc/81/52/63/1194815263.db2.gz HSXPKYNIBSCIOI-RBUKOAKNSA-N 2 0 386.500 0.997 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)CC[NH2+]CC2 ZINC000424496640 1194817948 /nfs/dbraw/zinc/81/79/48/1194817948.db2.gz UTQWXLQSABHAIP-ROUUACIJSA-N 2 0 392.544 0.548 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)CC[NH2+]CC2 ZINC000424509823 1194819224 /nfs/dbraw/zinc/81/92/24/1194819224.db2.gz QTBRSFLIPMOORI-SJORKVTESA-N 2 0 380.533 0.594 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535227 1194820080 /nfs/dbraw/zinc/82/00/80/1194820080.db2.gz ZYAOEVVPDVKQQM-OKZBNKHCSA-N 2 0 390.532 0.300 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424514139 1194820684 /nfs/dbraw/zinc/82/06/84/1194820684.db2.gz ZFFGQUGAOSFTDO-ZWKOTPCHSA-N 2 0 390.532 0.446 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424519641 1194821369 /nfs/dbraw/zinc/82/13/69/1194821369.db2.gz JWSUDNXWWHOXEI-GOSISDBHSA-N 2 0 393.576 0.511 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc(C[NH+](C)C)cc3)C[C@H]2[NH3+])cn1 ZINC000424544117 1194822869 /nfs/dbraw/zinc/82/28/69/1194822869.db2.gz GURIAFHBNGKQTB-ZWKOTPCHSA-N 2 0 384.484 0.051 20 0 GCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548232 1194823593 /nfs/dbraw/zinc/82/35/93/1194823593.db2.gz KXTAZWMGLDZONM-UXDQUXDASA-N 2 0 390.532 0.156 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000424550652 1194823950 /nfs/dbraw/zinc/82/39/50/1194823950.db2.gz TVKLIORFJSDXAW-BSWAZPDLSA-N 2 0 376.505 0.004 20 0 GCADRP CC(C)C[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N1CCOCC1 ZINC000424549412 1194823961 /nfs/dbraw/zinc/82/39/61/1194823961.db2.gz MHJBQMGKZJZCNZ-ROUUACIJSA-N 2 0 394.560 0.840 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000414824005 1194832202 /nfs/dbraw/zinc/83/22/02/1194832202.db2.gz JLAGELCASOIUQP-MRXNPFEDSA-N 2 0 390.484 0.533 20 0 GCADRP CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[NH+](C)C ZINC000414843875 1194840145 /nfs/dbraw/zinc/84/01/45/1194840145.db2.gz OWORRPUKFAPSTG-MRXNPFEDSA-N 2 0 391.520 0.307 20 0 GCADRP CC(C)(C)NC(=O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514010992 1194844789 /nfs/dbraw/zinc/84/47/89/1194844789.db2.gz IRHFNARKOWHMRM-UHFFFAOYSA-N 2 0 376.505 0.808 20 0 GCADRP C[C@H](CN1CCOCC1)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514225097 1194858010 /nfs/dbraw/zinc/85/80/10/1194858010.db2.gz LGSGVVJXGPMUNZ-GOSISDBHSA-N 2 0 390.532 0.614 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000514525050 1194881256 /nfs/dbraw/zinc/88/12/56/1194881256.db2.gz QRQIQVXXTGYSEX-UHFFFAOYSA-N 2 0 398.529 0.912 20 0 GCADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000514591943 1194886040 /nfs/dbraw/zinc/88/60/40/1194886040.db2.gz MRRKRRWPQPKBAZ-UHFFFAOYSA-N 2 0 382.549 0.842 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000514693992 1194895383 /nfs/dbraw/zinc/89/53/83/1194895383.db2.gz UKWTYYLCXXIZMC-PKOBYXMFSA-N 2 0 391.560 0.380 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000514753018 1194903734 /nfs/dbraw/zinc/90/37/34/1194903734.db2.gz UWYLXOLZEXLTFB-ROUUACIJSA-N 2 0 398.548 0.221 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCCO1 ZINC000514753017 1194903976 /nfs/dbraw/zinc/90/39/76/1194903976.db2.gz UWYLXOLZEXLTFB-QZTJIDSGSA-N 2 0 398.548 0.221 20 0 GCADRP COc1cc(C[NH+]2CC[C@H](CO)[C@@H](O)C2)cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988573 1194937487 /nfs/dbraw/zinc/93/74/87/1194937487.db2.gz BFUITVAIQWISEN-UKAVVXHISA-N 2 0 394.512 0.045 20 0 GCADRP COc1cc(C[NH+]2CC[C@H](CO)[C@H](O)C2)cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000514988572 1194937592 /nfs/dbraw/zinc/93/75/92/1194937592.db2.gz BFUITVAIQWISEN-KOUHRCEDSA-N 2 0 394.512 0.045 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515073859 1194945844 /nfs/dbraw/zinc/94/58/44/1194945844.db2.gz LPPQSZYMXSYWLV-AEFFLSMTSA-N 2 0 389.500 0.471 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000515136133 1194950642 /nfs/dbraw/zinc/95/06/42/1194950642.db2.gz HQHKTWYPCIGBPW-IBGZPJMESA-N 2 0 394.560 0.746 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)N1CCOCC1 ZINC000515374380 1194969864 /nfs/dbraw/zinc/96/98/64/1194969864.db2.gz PZDPTXGMXKNJGG-KRWDZBQOSA-N 2 0 382.549 0.840 20 0 GCADRP COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000515500437 1194978705 /nfs/dbraw/zinc/97/87/05/1194978705.db2.gz VUFNUINTTDIXQD-PXNSSMCTSA-N 2 0 390.484 0.122 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000515500877 1194978852 /nfs/dbraw/zinc/97/88/52/1194978852.db2.gz QNPLRKVHCIBJEA-RDJZCZTQSA-N 2 0 391.520 0.137 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000436129122 1194986846 /nfs/dbraw/zinc/98/68/46/1194986846.db2.gz VYYYEIDRBMQSDY-DLBZAZTESA-N 2 0 397.564 0.416 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000516091878 1195021799 /nfs/dbraw/zinc/02/17/99/1195021799.db2.gz XGRSZJSTVGJPKA-UHFFFAOYSA-N 2 0 377.489 0.504 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000414888796 1195023489 /nfs/dbraw/zinc/02/34/89/1195023489.db2.gz RUGXPWQTJYYVIK-HNNXBMFYSA-N 2 0 377.489 0.946 20 0 GCADRP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000516632740 1195079152 /nfs/dbraw/zinc/07/91/52/1195079152.db2.gz MFZMPEOZTPGKBD-UHFFFAOYSA-N 2 0 375.517 0.878 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652734651 1195084838 /nfs/dbraw/zinc/08/48/38/1195084838.db2.gz RSDSHXVYBDGPSD-BZSNNMDCSA-N 2 0 380.533 0.676 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652734654 1195085173 /nfs/dbraw/zinc/08/51/73/1195085173.db2.gz RSDSHXVYBDGPSD-RCCFBDPRSA-N 2 0 380.533 0.676 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)C2)C1 ZINC000652734702 1195086246 /nfs/dbraw/zinc/08/62/46/1195086246.db2.gz TVOQSVRMMOSYIC-TVFCKZIOSA-N 2 0 376.501 0.204 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516750706 1195090159 /nfs/dbraw/zinc/09/01/59/1195090159.db2.gz FZRWOQFZCOAYFZ-RTBURBONSA-N 2 0 389.544 0.361 20 0 GCADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506037919 1195100351 /nfs/dbraw/zinc/10/03/51/1195100351.db2.gz WXDNJDXHRVYYGG-PKOBYXMFSA-N 2 0 394.560 0.923 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652736319 1195128085 /nfs/dbraw/zinc/12/80/85/1195128085.db2.gz DCYNKNZMJCDVAT-CEXWTWQISA-N 2 0 388.512 0.194 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000517186883 1195151311 /nfs/dbraw/zinc/15/13/11/1195151311.db2.gz KSBWTIPNROVLJM-OTWHNJEPSA-N 2 0 393.576 0.317 20 0 GCADRP COCC(C)(C)N1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000425894260 1195155342 /nfs/dbraw/zinc/15/53/42/1195155342.db2.gz YMRPEOHBRSFHFQ-UHFFFAOYSA-N 2 0 382.549 0.794 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000664678680 1195187659 /nfs/dbraw/zinc/18/76/59/1195187659.db2.gz VNVLGDVCTGHNTG-INIZCTEOSA-N 2 0 376.505 0.621 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438331947 1195206409 /nfs/dbraw/zinc/20/64/09/1195206409.db2.gz PHIZGXCKUWPUSA-QGZVFWFLSA-N 2 0 378.521 1.553 20 0 GCADRP COC(=O)CN(C)C(=O)CC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425994065 1195213005 /nfs/dbraw/zinc/21/30/05/1195213005.db2.gz FLPHXJZXQQXTRI-HXUWFJFHSA-N 2 0 377.485 0.577 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000550002347 1195220732 /nfs/dbraw/zinc/22/07/32/1195220732.db2.gz RVBOUYAWLPXCMQ-MSOLQXFVSA-N 2 0 394.560 0.861 20 0 GCADRP C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000517884919 1195226387 /nfs/dbraw/zinc/22/63/87/1195226387.db2.gz FYMDKQOCFKTYMH-UHFFFAOYSA-N 2 0 375.521 0.772 20 0 GCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000517907230 1195229429 /nfs/dbraw/zinc/22/94/29/1195229429.db2.gz XULAVWDTAAPQSR-GOSISDBHSA-N 2 0 376.501 0.657 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000438704434 1195239911 /nfs/dbraw/zinc/23/99/11/1195239911.db2.gz ZMAKZDYIFXVAIC-FQEVSTJZSA-N 2 0 386.500 1.203 20 0 GCADRP O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000518131221 1195252510 /nfs/dbraw/zinc/25/25/10/1195252510.db2.gz YLMDOFXLMIFQKG-UHFFFAOYSA-N 2 0 391.541 0.831 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000664727662 1195262567 /nfs/dbraw/zinc/26/25/67/1195262567.db2.gz NGTHLMFJIHIUFF-UHFFFAOYSA-N 2 0 377.533 0.952 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCn3ccnc3C2)Cc2ccccc2C1 ZINC000506422702 1195264322 /nfs/dbraw/zinc/26/43/22/1195264322.db2.gz PTDKLIJJWJYSMS-KRWDZBQOSA-N 2 0 381.480 0.530 20 0 GCADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000438882090 1195265384 /nfs/dbraw/zinc/26/53/84/1195265384.db2.gz HZVPMATXQHVSLS-SFHVURJKSA-N 2 0 383.496 0.804 20 0 GCADRP CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4nnnn4CC3)CC2)CC1 ZINC000518215160 1195267910 /nfs/dbraw/zinc/26/79/10/1195267910.db2.gz NRQMONHMSVUMAQ-INIZCTEOSA-N 2 0 375.521 0.691 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414971207 1195272497 /nfs/dbraw/zinc/27/24/97/1195272497.db2.gz HXSKZERGCHLOKH-GOSISDBHSA-N 2 0 399.495 0.036 20 0 GCADRP COCC1(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000414973574 1195274502 /nfs/dbraw/zinc/27/45/02/1195274502.db2.gz LENQOLCWFPQHIC-UHFFFAOYSA-N 2 0 397.541 0.813 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000518360319 1195282770 /nfs/dbraw/zinc/28/27/70/1195282770.db2.gz QMBCHBHGLVOYPM-LMMKCTJWSA-N 2 0 394.560 0.922 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000518737505 1195324878 /nfs/dbraw/zinc/32/48/78/1195324878.db2.gz IVXSLLIAXZSOKM-FUHWJXTLSA-N 2 0 376.501 0.460 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[N@@H+]1C1CC1 ZINC000518832851 1195337783 /nfs/dbraw/zinc/33/77/83/1195337783.db2.gz WYAKOSHTSBBYJR-YESZJQIVSA-N 2 0 378.517 0.299 20 0 GCADRP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C(=O)N1CCOCC1 ZINC000439651353 1195339296 /nfs/dbraw/zinc/33/92/96/1195339296.db2.gz ZYWFFJGLZKEYKN-MSOLQXFVSA-N 2 0 397.564 0.681 20 0 GCADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)C(=O)N1CCOCC1 ZINC000439651356 1195339431 /nfs/dbraw/zinc/33/94/31/1195339431.db2.gz ZYWFFJGLZKEYKN-ZWKOTPCHSA-N 2 0 397.564 0.681 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426564793 1195380850 /nfs/dbraw/zinc/38/08/50/1195380850.db2.gz INSQZQDXIDACKH-RTBURBONSA-N 2 0 382.549 0.852 20 0 GCADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000415009886 1195394845 /nfs/dbraw/zinc/39/48/45/1195394845.db2.gz ONEQUVYOKVDIJQ-RTBURBONSA-N 2 0 382.464 0.835 20 0 GCADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCCC2)O1 ZINC000426614874 1195395366 /nfs/dbraw/zinc/39/53/66/1195395366.db2.gz HRMXXQWCRKQIIL-HDICACEKSA-N 2 0 380.533 0.738 20 0 GCADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCCC2)O1 ZINC000426614876 1195395600 /nfs/dbraw/zinc/39/56/00/1195395600.db2.gz HRMXXQWCRKQIIL-ROUUACIJSA-N 2 0 380.533 0.738 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000550035653 1195418930 /nfs/dbraw/zinc/41/89/30/1195418930.db2.gz VKDVZFNREPRKSY-IAGOWNOFSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000550035517 1195419167 /nfs/dbraw/zinc/41/91/67/1195419167.db2.gz SBBGCEPKDFJXQB-HDICACEKSA-N 2 0 393.576 0.604 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095283 1195435228 /nfs/dbraw/zinc/43/52/28/1195435228.db2.gz GCTAMXYCZXPQGI-MSOLQXFVSA-N 2 0 382.549 0.650 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000550099458 1195436928 /nfs/dbraw/zinc/43/69/28/1195436928.db2.gz USYGONWMSDZLDC-GOSISDBHSA-N 2 0 382.549 0.698 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000550115097 1195440999 /nfs/dbraw/zinc/44/09/99/1195440999.db2.gz KILRLFJFUJIWOW-LJQANCHMSA-N 2 0 390.528 0.934 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000550129076 1195444563 /nfs/dbraw/zinc/44/45/63/1195444563.db2.gz DAYULRJARBRLQV-KRWDZBQOSA-N 2 0 381.565 0.367 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000519556664 1195445574 /nfs/dbraw/zinc/44/55/74/1195445574.db2.gz PCJKMOFIVAKSTN-AEFFLSMTSA-N 2 0 383.496 0.999 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000550133228 1195445612 /nfs/dbraw/zinc/44/56/12/1195445612.db2.gz NUQMWPOWJLLJQE-RBUKOAKNSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000550208560 1195460828 /nfs/dbraw/zinc/46/08/28/1195460828.db2.gz FNHHTCOIUXDUQK-IXDOHACOSA-N 2 0 380.533 0.687 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3CC[NH+](CCO)CC3)cn2)CC1 ZINC000111810795 1195462057 /nfs/dbraw/zinc/46/20/57/1195462057.db2.gz KASIEEJFGSDBCD-UHFFFAOYSA-N 2 0 390.532 0.337 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@@H]1O ZINC000664853944 1195486989 /nfs/dbraw/zinc/48/69/89/1195486989.db2.gz YCDJONXNBYOKJQ-OALUTQOASA-N 2 0 376.501 0.976 20 0 GCADRP CC[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000519593206 1195500294 /nfs/dbraw/zinc/50/02/94/1195500294.db2.gz XRUIPLZUEVNIQE-RTBURBONSA-N 2 0 387.528 0.041 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000519614277 1195542934 /nfs/dbraw/zinc/54/29/34/1195542934.db2.gz YBTMPRNLPOKBOI-XFKSJGNHSA-N 2 0 392.544 0.674 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000519614271 1195543151 /nfs/dbraw/zinc/54/31/51/1195543151.db2.gz YBTMPRNLPOKBOI-RMJJICAUSA-N 2 0 392.544 0.674 20 0 GCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)C1 ZINC000519750712 1195567823 /nfs/dbraw/zinc/56/78/23/1195567823.db2.gz KWMQXSWBFMKSEO-OAQYLSRUSA-N 2 0 392.544 0.502 20 0 GCADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000519828631 1195574261 /nfs/dbraw/zinc/57/42/61/1195574261.db2.gz QXSLBPPPDFZSNF-SFHVURJKSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000550321026 1195604400 /nfs/dbraw/zinc/60/44/00/1195604400.db2.gz GYRYPEHNJQIKIZ-QGZVFWFLSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000520285074 1195616199 /nfs/dbraw/zinc/61/61/99/1195616199.db2.gz KSRJDWLWDJOTJF-VQIMIIECSA-N 2 0 392.544 0.689 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000417025692 1195618413 /nfs/dbraw/zinc/61/84/13/1195618413.db2.gz RSPTVZKOLAALJU-HXUWFJFHSA-N 2 0 389.544 0.872 20 0 GCADRP COc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OCC(N)=O ZINC000441367692 1195628873 /nfs/dbraw/zinc/62/88/73/1195628873.db2.gz IRPRPCIOATYROM-UHFFFAOYSA-N 2 0 394.516 0.684 20 0 GCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000550337323 1195634884 /nfs/dbraw/zinc/63/48/84/1195634884.db2.gz FIIJTKWEPGIUJR-MRXNPFEDSA-N 2 0 378.517 0.300 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N1CC[NH+](C)CC1 ZINC000550380841 1195648963 /nfs/dbraw/zinc/64/89/63/1195648963.db2.gz BCISTMWMUYWCLI-OALUTQOASA-N 2 0 395.592 0.611 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550375346 1195650065 /nfs/dbraw/zinc/65/00/65/1195650065.db2.gz AFFSVOVHEXQDCC-UHFFFAOYSA-N 2 0 382.549 0.983 20 0 GCADRP C[NH+]1CC[C@H]2CN(c3nc(C(N)=O)cc(N4CC[C@H]5[C@H](CC[N@H+]5C)C4)n3)CC[C@H]21 ZINC000895020888 1195650868 /nfs/dbraw/zinc/65/08/68/1195650868.db2.gz CZLCGHPZDCSURS-MXSMSXNCSA-N 2 0 399.543 0.636 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000550383888 1195651365 /nfs/dbraw/zinc/65/13/65/1195651365.db2.gz WSDJNWRSBCXKGQ-FUHWJXTLSA-N 2 0 379.549 0.141 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)N1CC[NH+](C)CC1 ZINC000550383624 1195651504 /nfs/dbraw/zinc/65/15/04/1195651504.db2.gz OHULIJYMTFQVNK-SFHVURJKSA-N 2 0 381.565 0.223 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000550383887 1195651522 /nfs/dbraw/zinc/65/15/22/1195651522.db2.gz WSDJNWRSBCXKGQ-AEFFLSMTSA-N 2 0 379.549 0.141 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)C2)CC1 ZINC000550389447 1195652351 /nfs/dbraw/zinc/65/23/51/1195652351.db2.gz XNUPQTMCCLOFPG-KRWDZBQOSA-N 2 0 379.549 0.215 20 0 GCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000425390622 1195743377 /nfs/dbraw/zinc/74/33/77/1195743377.db2.gz RBBKUSDGIGASAT-FGTMMUONSA-N 2 0 378.517 0.110 20 0 GCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647986070 1195756686 /nfs/dbraw/zinc/75/66/86/1195756686.db2.gz AGRCEVJAFZYWOJ-CQSZACIVSA-N 2 0 396.513 0.268 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000520551492 1195785010 /nfs/dbraw/zinc/78/50/10/1195785010.db2.gz DHGKSMCZAFMCAD-IRXDYDNUSA-N 2 0 383.537 0.230 20 0 GCADRP C[NH+](C)C1(CNC(=O)COCC(=O)NCC2([NH+](C)C)CCCC2)CCCC1 ZINC000520641504 1195811002 /nfs/dbraw/zinc/81/10/02/1195811002.db2.gz CZYOCUIGYAHKMW-UHFFFAOYSA-N 2 0 382.549 0.984 20 0 GCADRP C[C@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1=CC[N@H+](C)CC1 ZINC000520646708 1195812661 /nfs/dbraw/zinc/81/26/61/1195812661.db2.gz BSPCHXKFQKNINB-HNNXBMFYSA-N 2 0 389.500 0.405 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[N@@H+]1C ZINC001075809068 1195928355 /nfs/dbraw/zinc/92/83/55/1195928355.db2.gz QTRQBDKRXJUWIL-BZZMCLGOSA-N 2 0 383.558 0.684 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000442009748 1195942107 /nfs/dbraw/zinc/94/21/07/1195942107.db2.gz ZGECVKMSKIDIOW-INIZCTEOSA-N 2 0 378.473 0.402 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000521009012 1195953895 /nfs/dbraw/zinc/95/38/95/1195953895.db2.gz IHKZUGBVFGFOAL-IYBDPMFKSA-N 2 0 380.558 0.532 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000550456292 1195961400 /nfs/dbraw/zinc/96/14/00/1195961400.db2.gz ILRAHEZLKPXJBC-QZTJIDSGSA-N 2 0 398.548 0.029 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000550457391 1195968205 /nfs/dbraw/zinc/96/82/05/1195968205.db2.gz QWKOVSQPNOGXHZ-INDMIFKZSA-N 2 0 396.576 0.942 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000550457748 1195983980 /nfs/dbraw/zinc/98/39/80/1195983980.db2.gz NFXNIVGVXBRILG-OALUTQOASA-N 2 0 394.560 0.936 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000550457782 1195984572 /nfs/dbraw/zinc/98/45/72/1195984572.db2.gz NWQDBEJOCQFMKQ-SQNIBIBYSA-N 2 0 382.549 0.791 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000550457781 1195984686 /nfs/dbraw/zinc/98/46/86/1195984686.db2.gz NWQDBEJOCQFMKQ-OKZBNKHCSA-N 2 0 382.549 0.791 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000550458802 1195988276 /nfs/dbraw/zinc/98/82/76/1195988276.db2.gz RWVXBEJNKNTCKZ-MSOLQXFVSA-N 2 0 382.549 0.840 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000521479988 1195997778 /nfs/dbraw/zinc/99/77/78/1195997778.db2.gz PXZQFTFBSYNPDE-GOSISDBHSA-N 2 0 390.528 0.804 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000521480978 1195999318 /nfs/dbraw/zinc/99/93/18/1195999318.db2.gz CPYPREWITWORLW-IBGZPJMESA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775128 1196002234 /nfs/dbraw/zinc/00/22/34/1196002234.db2.gz BKBORIRVFOASTA-JKSUJKDBSA-N 2 0 380.514 0.189 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775121 1196002388 /nfs/dbraw/zinc/00/23/88/1196002388.db2.gz BKBORIRVFOASTA-HZPDHXFCSA-N 2 0 380.514 0.189 20 0 GCADRP COCC[N@H+](C)C[C@H](O)CN1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000521642181 1196008148 /nfs/dbraw/zinc/00/81/48/1196008148.db2.gz XIXKRFBCDONWPG-VXKWHMMOSA-N 2 0 390.572 0.818 20 0 GCADRP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065479 1196017786 /nfs/dbraw/zinc/01/77/86/1196017786.db2.gz ZXBHPTJBYJFCOA-KGLIPLIRSA-N 2 0 380.514 0.672 20 0 GCADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061371 1196017838 /nfs/dbraw/zinc/01/78/38/1196017838.db2.gz RJTHDRDIEDXEID-HOCLYGCPSA-N 2 0 382.530 0.442 20 0 GCADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000443061646 1196017845 /nfs/dbraw/zinc/01/78/45/1196017845.db2.gz RWZLDYLCRYJABO-KKUMJFAQSA-N 2 0 382.530 0.961 20 0 GCADRP C[NH+](C)C(C)(C)CNc1nc(NCC(C)(C)[NH+](C)C)nc(N2CCOCC2)n1 ZINC000443424005 1196046632 /nfs/dbraw/zinc/04/66/32/1196046632.db2.gz FDJAJKPJSBGANX-UHFFFAOYSA-N 2 0 394.568 0.056 20 0 GCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC001087578260 1196050176 /nfs/dbraw/zinc/05/01/76/1196050176.db2.gz KVPGVWAHJBAFNZ-LVQVYYBASA-N 2 0 393.532 0.626 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000550481607 1196053562 /nfs/dbraw/zinc/05/35/62/1196053562.db2.gz TUCOTJHOLXIZEP-SFHVURJKSA-N 2 0 393.576 0.319 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000550566215 1196087658 /nfs/dbraw/zinc/08/76/58/1196087658.db2.gz YRBHYPFBBBZDHW-UHFFFAOYSA-N 2 0 380.533 0.737 20 0 GCADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000114587366 1196106010 /nfs/dbraw/zinc/10/60/10/1196106010.db2.gz CLIFVFFKPCUUEX-MOPGFXCFSA-N 2 0 383.581 0.796 20 0 GCADRP CC(C)(C)[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000114590311 1196106771 /nfs/dbraw/zinc/10/67/71/1196106771.db2.gz ZVIYWYLDJJDTLX-UHFFFAOYSA-N 2 0 383.581 0.939 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443764298 1196142161 /nfs/dbraw/zinc/14/21/61/1196142161.db2.gz MMWQPMBZSHUDPJ-IRXDYDNUSA-N 2 0 399.561 0.881 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4nc(=O)n(C)[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC001087972256 1196142406 /nfs/dbraw/zinc/14/24/06/1196142406.db2.gz SXPBAOCJBASMTK-FXUDXRNXSA-N 2 0 376.505 0.119 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)O2)CC[NH+]1C ZINC000332991521 1196147023 /nfs/dbraw/zinc/14/70/23/1196147023.db2.gz BXCZVHUEALGEKE-PTZATXGZSA-N 2 0 380.533 0.732 20 0 GCADRP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000896533266 1196154624 /nfs/dbraw/zinc/15/46/24/1196154624.db2.gz HASWWWDCXSWLFA-XHSDSOJGSA-N 2 0 385.553 0.582 20 0 GCADRP C[NH+]1CC[C@H]2CCN(C(=O)C[C@H](O)CC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000329052756 1196159959 /nfs/dbraw/zinc/15/99/59/1196159959.db2.gz LIEBPFZWPUZDIP-RHQZKXFESA-N 2 0 392.544 0.233 20 0 GCADRP C[NH+]1CC[C@H]2CCN(C(=O)C[C@H](O)CC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000329052754 1196160015 /nfs/dbraw/zinc/16/00/15/1196160015.db2.gz LIEBPFZWPUZDIP-PJVZLEMVSA-N 2 0 392.544 0.233 20 0 GCADRP O=C(CC(O)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000329214856 1196177149 /nfs/dbraw/zinc/17/71/49/1196177149.db2.gz LULJQZXXMTZQPG-ROUUACIJSA-N 2 0 392.544 0.521 20 0 GCADRP O=C(NCCC[NH+]1CCCC1)c1cc(C(=O)NCCC[NH+]2CCCC2)[nH]n1 ZINC000665488091 1196228167 /nfs/dbraw/zinc/22/81/67/1196228167.db2.gz BIZUGYHPAXZSRW-UHFFFAOYSA-N 2 0 376.505 0.841 20 0 GCADRP C[NH+]1CCCN(C(=O)C2(CC(=O)N3CCC[N@@H+](C)CC3)CCOCC2)CC1 ZINC000330153346 1196256471 /nfs/dbraw/zinc/25/64/71/1196256471.db2.gz MRBHVDOIIKWLHT-UHFFFAOYSA-N 2 0 380.533 0.502 20 0 GCADRP C[NH+]1C[C@H]2CN(C(=O)c3cncc(C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)c3)C[C@H]2C1 ZINC000330187035 1196258802 /nfs/dbraw/zinc/25/88/02/1196258802.db2.gz SORCBJIFBJMSIT-QGFMHUBQSA-N 2 0 383.496 0.349 20 0 GCADRP C[C@H]1CCCCN1C(=O)CN1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000330243772 1196260968 /nfs/dbraw/zinc/26/09/68/1196260968.db2.gz JWIBZPCJSYLPTE-SFHVURJKSA-N 2 0 379.549 0.169 20 0 GCADRP C[C@@H]1CCCCN1C(=O)CN1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000330243771 1196261048 /nfs/dbraw/zinc/26/10/48/1196261048.db2.gz JWIBZPCJSYLPTE-GOSISDBHSA-N 2 0 379.549 0.169 20 0 GCADRP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC)O1 ZINC000665529648 1196304858 /nfs/dbraw/zinc/30/48/58/1196304858.db2.gz QGMXXCAUCLINSM-USTZCAOPSA-N 2 0 380.533 0.735 20 0 GCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088112341 1196364238 /nfs/dbraw/zinc/36/42/38/1196364238.db2.gz ZRQHMEQQBYQMAU-XMTFNYHQSA-N 2 0 385.512 0.926 20 0 GCADRP C[C@@H]1Cc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2N1S(C)(=O)=O ZINC000103211387 1196374931 /nfs/dbraw/zinc/37/49/31/1196374931.db2.gz RGFAIIIOBCOGIL-OAHLLOKOSA-N 2 0 396.557 0.963 20 0 GCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000516275156 1196390690 /nfs/dbraw/zinc/39/06/90/1196390690.db2.gz OPQZHOQZVKHGEE-SNVBAGLBSA-N 2 0 388.394 0.900 20 0 GCADRP COC[C@]1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCC[NH2+]1 ZINC000417985060 1196418857 /nfs/dbraw/zinc/41/88/57/1196418857.db2.gz DYYRKUWJTBSSEE-AZUAARDMSA-N 2 0 376.501 0.821 20 0 GCADRP COCCNc1nc(N2CCC[NH+](C)CC2)nc(N2CCC[N@H+](C)CC2)n1 ZINC000301798510 1196434828 /nfs/dbraw/zinc/43/48/28/1196434828.db2.gz UWZLYKVHRJGDGF-UHFFFAOYSA-N 2 0 378.525 0.214 20 0 GCADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418018577 1196452580 /nfs/dbraw/zinc/45/25/80/1196452580.db2.gz IYBDRHHGFBOPOP-KRWDZBQOSA-N 2 0 383.537 0.198 20 0 GCADRP COC1(CO)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000445043158 1196540025 /nfs/dbraw/zinc/54/00/25/1196540025.db2.gz SUEUCZCTLGIAHS-UHFFFAOYSA-N 2 0 391.516 0.777 20 0 GCADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523918103 1196566444 /nfs/dbraw/zinc/56/64/44/1196566444.db2.gz CYJYJLOBNINEFE-KRWDZBQOSA-N 2 0 383.537 0.339 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914646 1196567645 /nfs/dbraw/zinc/56/76/45/1196567645.db2.gz JZGVLPZWJMYFHS-KSZLIROESA-N 2 0 397.564 0.728 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000524419717 1196594433 /nfs/dbraw/zinc/59/44/33/1196594433.db2.gz YSFHNYOBZDMLGH-MOPGFXCFSA-N 2 0 387.528 0.997 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000524563890 1196605686 /nfs/dbraw/zinc/60/56/86/1196605686.db2.gz MTERLMRAWLGDLE-SJORKVTESA-N 2 0 395.548 0.374 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000524627315 1196609908 /nfs/dbraw/zinc/60/99/08/1196609908.db2.gz VNKQARYOIOGDDC-SFHVURJKSA-N 2 0 375.517 0.922 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446054590 1196610240 /nfs/dbraw/zinc/61/02/40/1196610240.db2.gz PSKWYQRAQKLVBT-GOSISDBHSA-N 2 0 390.528 0.938 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446365045 1196637944 /nfs/dbraw/zinc/63/79/44/1196637944.db2.gz YQNBNRNPYNQKLK-NARAOEGZSA-N 2 0 380.533 0.578 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000524930256 1196639290 /nfs/dbraw/zinc/63/92/90/1196639290.db2.gz JJNXYENPWMHGJR-UHFFFAOYSA-N 2 0 384.546 0.866 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000525303291 1196666128 /nfs/dbraw/zinc/66/61/28/1196666128.db2.gz QEGDMCPZGYEAQB-MRXNPFEDSA-N 2 0 397.564 0.762 20 0 GCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000447599997 1196732692 /nfs/dbraw/zinc/73/26/92/1196732692.db2.gz LIAJUDQEUGNYTK-MRXNPFEDSA-N 2 0 385.530 0.936 20 0 GCADRP COC(=O)c1scc(C)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526131654 1196744262 /nfs/dbraw/zinc/74/42/62/1196744262.db2.gz OHYLDKUVWXABAI-UHFFFAOYSA-N 2 0 384.502 0.733 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000527124159 1196767551 /nfs/dbraw/zinc/76/75/51/1196767551.db2.gz MSUZAHUAYQWBAN-UHFFFAOYSA-N 2 0 398.529 0.122 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000527373742 1196784262 /nfs/dbraw/zinc/78/42/62/1196784262.db2.gz DBJVEGIQFMIMFJ-UHFFFAOYSA-N 2 0 378.473 0.355 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000527375783 1196784688 /nfs/dbraw/zinc/78/46/88/1196784688.db2.gz WLSVJCYYSMGLCY-INIZCTEOSA-N 2 0 389.500 0.849 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H](C)C1 ZINC000448519523 1196809203 /nfs/dbraw/zinc/80/92/03/1196809203.db2.gz DWNRGEBOOWIOKX-RBUKOAKNSA-N 2 0 383.581 0.748 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000448855481 1196835046 /nfs/dbraw/zinc/83/50/46/1196835046.db2.gz YZJLRQIIJXLTSH-INIZCTEOSA-N 2 0 388.520 0.797 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528717784 1196880947 /nfs/dbraw/zinc/88/09/47/1196880947.db2.gz FCKRGCULGKMARX-QGZVFWFLSA-N 2 0 387.484 0.939 20 0 GCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529339334 1196916463 /nfs/dbraw/zinc/91/64/63/1196916463.db2.gz OJXRMFGNIVELEY-SFHVURJKSA-N 2 0 388.516 0.601 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000530576821 1196996187 /nfs/dbraw/zinc/99/61/87/1196996187.db2.gz PUKOHESHLZZMNY-RBBKRZOGSA-N 2 0 386.540 0.862 20 0 GCADRP CCN(CC)S(=O)(=O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000530578646 1196998919 /nfs/dbraw/zinc/99/89/19/1196998919.db2.gz YRTZAMRZXRRYEW-UHFFFAOYSA-N 2 0 397.545 0.382 20 0 GCADRP CNS(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1OC ZINC000530641485 1197002747 /nfs/dbraw/zinc/00/27/47/1197002747.db2.gz JPRHKVOATAJTPB-UHFFFAOYSA-N 2 0 386.518 0.169 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCSC1 ZINC000530655733 1197005086 /nfs/dbraw/zinc/00/50/86/1197005086.db2.gz GUNSJDZADOJVSB-GOSISDBHSA-N 2 0 383.562 0.373 20 0 GCADRP CNS(=O)(=O)c1cc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c(C)o1 ZINC000530959735 1197031076 /nfs/dbraw/zinc/03/10/76/1197031076.db2.gz HYULGAKPFSSQQW-UHFFFAOYSA-N 2 0 393.469 0.895 20 0 GCADRP C[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000452127796 1197040347 /nfs/dbraw/zinc/04/03/47/1197040347.db2.gz SYTSVGCAARGDGH-CAYXOIJASA-N 2 0 388.556 0.977 20 0 GCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000452132059 1197041879 /nfs/dbraw/zinc/04/18/79/1197041879.db2.gz LCOONZAPNSWZGP-IBGZPJMESA-N 2 0 382.549 0.888 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)CC1=O ZINC000452358962 1197054622 /nfs/dbraw/zinc/05/46/22/1197054622.db2.gz GWSPXGCNHBEELF-KZNAEPCWSA-N 2 0 380.533 0.282 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)CC1=O ZINC000452358963 1197054932 /nfs/dbraw/zinc/05/49/32/1197054932.db2.gz GWSPXGCNHBEELF-OKZBNKHCSA-N 2 0 380.533 0.282 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000376638382 1197080959 /nfs/dbraw/zinc/08/09/59/1197080959.db2.gz BDKSGVGVFXPBDL-XYJFISCASA-N 2 0 386.562 0.291 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000531552787 1197082611 /nfs/dbraw/zinc/08/26/11/1197082611.db2.gz NXJQRMNPVMFYQZ-UHFFFAOYSA-N 2 0 382.530 0.651 20 0 GCADRP CC1C[C@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000452969728 1197091036 /nfs/dbraw/zinc/09/10/36/1197091036.db2.gz DJTYASOIMOKLEH-GFLQDLJJSA-N 2 0 388.556 0.974 20 0 GCADRP CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000532027692 1197107093 /nfs/dbraw/zinc/10/70/93/1197107093.db2.gz GFTNFBJKGCCESW-OTWHNJEPSA-N 2 0 398.548 0.089 20 0 GCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532334098 1197145347 /nfs/dbraw/zinc/14/53/47/1197145347.db2.gz WBZXZXYZFXCNPS-DTDBQYNISA-N 2 0 378.517 0.201 20 0 GCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304973 1197156773 /nfs/dbraw/zinc/15/67/73/1197156773.db2.gz VYHKJTWAXXTGBE-BBWFWOEESA-N 2 0 394.560 0.920 20 0 GCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CCN4CCOCC4)cc3)C[C@@H]21 ZINC000453919027 1197162079 /nfs/dbraw/zinc/16/20/79/1197162079.db2.gz DHIALVMQDSHLGD-MJGOQNOKSA-N 2 0 386.496 0.662 20 0 GCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)C[C@@H]21 ZINC000453921646 1197178307 /nfs/dbraw/zinc/17/83/07/1197178307.db2.gz GNGNCFMWDCVJNF-MJGOQNOKSA-N 2 0 385.512 0.535 20 0 GCADRP C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418349118 1197192537 /nfs/dbraw/zinc/19/25/37/1197192537.db2.gz RTGQIFJWYMTNPL-QRQLOZEOSA-N 2 0 389.544 0.963 20 0 GCADRP O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000178593522 1197195292 /nfs/dbraw/zinc/19/52/92/1197195292.db2.gz PMBMEEUBPSTTKK-HDICACEKSA-N 2 0 378.517 0.489 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)c3cn(CC4(C)COC4)nn3)CC2)CC1 ZINC000184568895 1197211580 /nfs/dbraw/zinc/21/15/80/1197211580.db2.gz WQUAQEPOVMQBBE-UHFFFAOYSA-N 2 0 376.505 0.603 20 0 GCADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000192487674 1197246531 /nfs/dbraw/zinc/24/65/31/1197246531.db2.gz OOFOYCWYQPRADC-WMDIELAYSA-N 2 0 388.556 0.833 20 0 GCADRP CN1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1(C)C ZINC000897425237 1197249903 /nfs/dbraw/zinc/24/99/03/1197249903.db2.gz ZHBNRSQLYZKLLX-UHFFFAOYSA-N 2 0 388.516 0.002 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)C1 ZINC000123434656 1197284136 /nfs/dbraw/zinc/28/41/36/1197284136.db2.gz UOFGTWIHIIITCM-YJBOKZPZSA-N 2 0 376.501 0.896 20 0 GCADRP C[NH+](C)CC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532476929 1197315455 /nfs/dbraw/zinc/31/54/55/1197315455.db2.gz SWMXIDOZGNPAFC-UHFFFAOYSA-N 2 0 382.530 0.266 20 0 GCADRP O=C(COCC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000105599929 1197326248 /nfs/dbraw/zinc/32/62/48/1197326248.db2.gz XQVJHUUCXKOIBF-ROUUACIJSA-N 2 0 378.517 0.396 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCN2CC[NH+](CC)CC2)CC1=O ZINC000105319304 1197326252 /nfs/dbraw/zinc/32/62/52/1197326252.db2.gz ICXAGVSEVRSMDT-RBUKOAKNSA-N 2 0 393.576 0.463 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)C2)CC1 ZINC000106526730 1197327013 /nfs/dbraw/zinc/32/70/13/1197327013.db2.gz PMPUAPDJWKJLRC-LJQANCHMSA-N 2 0 380.581 0.434 20 0 GCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000897463094 1197338518 /nfs/dbraw/zinc/33/85/18/1197338518.db2.gz BGYJSYWBTYWRCD-UHFFFAOYSA-N 2 0 393.576 0.607 20 0 GCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000666663695 1197360315 /nfs/dbraw/zinc/36/03/15/1197360315.db2.gz FJJWMZFSSUYKIG-UHFFFAOYSA-N 2 0 381.436 0.851 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(C(N)=O)cs1 ZINC000666719721 1197390255 /nfs/dbraw/zinc/39/02/55/1197390255.db2.gz ONNGMUFAYRPFKH-ZDUSSCGKSA-N 2 0 382.534 0.800 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCC[NH+]2CCN(C)CC2)CC1=O ZINC000105318863 1197391868 /nfs/dbraw/zinc/39/18/68/1197391868.db2.gz GSRIJXPTUIEFLP-MOPGFXCFSA-N 2 0 393.576 0.463 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897485938 1197395875 /nfs/dbraw/zinc/39/58/75/1197395875.db2.gz LUGZXGFKRHEQLR-MRXNPFEDSA-N 2 0 377.489 0.203 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000897493899 1197402346 /nfs/dbraw/zinc/40/23/46/1197402346.db2.gz ILWANQNIEILGSL-IBGZPJMESA-N 2 0 395.592 0.711 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)N1CC[NH+](C)CC1 ZINC000419122793 1197410816 /nfs/dbraw/zinc/41/08/16/1197410816.db2.gz FZTLGTROGJRMKK-IRXDYDNUSA-N 2 0 381.565 0.269 20 0 GCADRP CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000532950660 1197422897 /nfs/dbraw/zinc/42/28/97/1197422897.db2.gz YUZRDMWGCPXEBA-CYBMUJFWSA-N 2 0 379.505 0.290 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cn1 ZINC000237171142 1197460988 /nfs/dbraw/zinc/46/09/88/1197460988.db2.gz ZJQRTMCQWKFBGX-UHFFFAOYSA-N 2 0 398.511 0.821 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000246449135 1197470558 /nfs/dbraw/zinc/47/05/58/1197470558.db2.gz LRHCSBRNNZHAFA-GUDVDZBRSA-N 2 0 392.544 0.500 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000249431507 1197481881 /nfs/dbraw/zinc/48/18/81/1197481881.db2.gz ZESJLHCHGZFFLS-KZNAEPCWSA-N 2 0 394.560 0.623 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000249412039 1197482158 /nfs/dbraw/zinc/48/21/58/1197482158.db2.gz VKOXYXSVEOOARJ-FGTMMUONSA-N 2 0 394.560 0.623 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1=O ZINC000249296694 1197482514 /nfs/dbraw/zinc/48/25/14/1197482514.db2.gz MPAFHPKTAPXSLA-GBESFXJTSA-N 2 0 393.576 0.461 20 0 GCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261750566 1197513394 /nfs/dbraw/zinc/51/33/94/1197513394.db2.gz DUKXNIDZNHWDJY-OAHLLOKOSA-N 2 0 392.466 0.974 20 0 GCADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261758279 1197513693 /nfs/dbraw/zinc/51/36/93/1197513693.db2.gz FPUCLEMEQGWPKY-QLFBSQMISA-N 2 0 381.521 0.579 20 0 GCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767928 1197514037 /nfs/dbraw/zinc/51/40/37/1197514037.db2.gz GJFKVCWXCMSTNQ-KSZLIROESA-N 2 0 379.549 0.119 20 0 GCADRP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261787461 1197514540 /nfs/dbraw/zinc/51/45/40/1197514540.db2.gz HYTLMQZWKMEWNN-IEBWSBKVSA-N 2 0 388.512 0.892 20 0 GCADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261935007 1197519788 /nfs/dbraw/zinc/51/97/88/1197519788.db2.gz WSUBXWRBBNXMFU-GOEBONIOSA-N 2 0 383.418 0.990 20 0 GCADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000262063285 1197524175 /nfs/dbraw/zinc/52/41/75/1197524175.db2.gz JFVMCCCZNCWOFS-HNNXBMFYSA-N 2 0 380.493 0.107 20 0 GCADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262303583 1197529198 /nfs/dbraw/zinc/52/91/98/1197529198.db2.gz BXFFYDQYKQFYNM-MJGOQNOKSA-N 2 0 386.496 0.170 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c2)C1 ZINC000262794825 1197537519 /nfs/dbraw/zinc/53/75/19/1197537519.db2.gz PANKVCYJLYHXCG-MRXNPFEDSA-N 2 0 396.495 0.683 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611823047 1197542833 /nfs/dbraw/zinc/54/28/33/1197542833.db2.gz MRAJXJNOMNTLOS-ROUUACIJSA-N 2 0 378.517 0.489 20 0 GCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000533817470 1197569275 /nfs/dbraw/zinc/56/92/75/1197569275.db2.gz UKSOQVKAUDIATE-DACLVMHWSA-N 2 0 394.585 0.917 20 0 GCADRP COC[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001734 1198995965 /nfs/dbraw/zinc/99/59/65/1198995965.db2.gz GOIOFZRJMPTXOD-GOSISDBHSA-N 2 0 389.500 0.347 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672007966 1199000407 /nfs/dbraw/zinc/00/04/07/1199000407.db2.gz GGYAPINMEVOQEK-QGZVFWFLSA-N 2 0 394.560 0.936 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672014528 1199004886 /nfs/dbraw/zinc/00/48/86/1199004886.db2.gz VHIWXKFYSRWXSC-WMZOPIPTSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000672015029 1199005254 /nfs/dbraw/zinc/00/52/54/1199005254.db2.gz QMYYBRDIIFBJSS-MRXNPFEDSA-N 2 0 380.533 0.404 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000672015028 1199005700 /nfs/dbraw/zinc/00/57/00/1199005700.db2.gz QMYYBRDIIFBJSS-INIZCTEOSA-N 2 0 380.533 0.404 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000155978100 1199026927 /nfs/dbraw/zinc/02/69/27/1199026927.db2.gz BGGLJPLRHVHOCZ-YJBOKZPZSA-N 2 0 388.516 0.859 20 0 GCADRP O=C(CSCC(=O)N[C@H]1CC[NH+](CC2CC2)C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108307185 1199043971 /nfs/dbraw/zinc/04/39/71/1199043971.db2.gz NPCLYKPANQSGLT-HDICACEKSA-N 2 0 394.585 0.921 20 0 GCADRP CCn1c(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc2ccccc21 ZINC000785449767 1199046250 /nfs/dbraw/zinc/04/62/50/1199046250.db2.gz ZXSRZQLIZYDRBP-UHFFFAOYSA-N 2 0 388.516 0.624 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)NC(C)C ZINC000465817433 1199074077 /nfs/dbraw/zinc/07/40/77/1199074077.db2.gz SQHPNSHIXIGMTG-INIZCTEOSA-N 2 0 391.582 0.372 20 0 GCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672098388 1199089409 /nfs/dbraw/zinc/08/94/09/1199089409.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 2 0 381.565 0.460 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111574 1199109775 /nfs/dbraw/zinc/10/97/75/1199109775.db2.gz BOZADHBBGAZZFB-DLBZAZTESA-N 2 0 395.548 0.034 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000672111197 1199111131 /nfs/dbraw/zinc/11/11/31/1199111131.db2.gz CNAJVCGGTCRVNC-SJORKVTESA-N 2 0 395.548 0.036 20 0 GCADRP COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000672268980 1199181411 /nfs/dbraw/zinc/18/14/11/1199181411.db2.gz KEYHFASVLCCLMM-INIZCTEOSA-N 2 0 392.500 0.067 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672311918 1199203310 /nfs/dbraw/zinc/20/33/10/1199203310.db2.gz VQLIDFVXQJWAQE-SFHVURJKSA-N 2 0 380.533 0.593 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672313455 1199205008 /nfs/dbraw/zinc/20/50/08/1199205008.db2.gz JRVSIBKEZGLINR-SFHVURJKSA-N 2 0 392.544 0.834 20 0 GCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313119 1199206071 /nfs/dbraw/zinc/20/60/71/1199206071.db2.gz LCKIHTDUKKLGIF-MSOLQXFVSA-N 2 0 392.544 0.690 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952926 1199218952 /nfs/dbraw/zinc/21/89/52/1199218952.db2.gz SGFWBGSUMHFOJT-MSOLQXFVSA-N 2 0 396.580 0.147 20 0 GCADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000627319741 1199233594 /nfs/dbraw/zinc/23/35/94/1199233594.db2.gz FTRXKHKQOIOGIP-UHFFFAOYSA-N 2 0 376.501 0.449 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672596847 1199276965 /nfs/dbraw/zinc/27/69/65/1199276965.db2.gz SDNWUBWKSDRCGQ-MOPGFXCFSA-N 2 0 387.528 0.081 20 0 GCADRP CC(C)n1cc([C@H](C)NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672608327 1199281003 /nfs/dbraw/zinc/28/10/03/1199281003.db2.gz MBEBWICDWFUJLI-RDJZCZTQSA-N 2 0 390.532 0.926 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638551 1199288817 /nfs/dbraw/zinc/28/88/17/1199288817.db2.gz UEGCAJHBSXXIIK-KRWDZBQOSA-N 2 0 381.565 0.461 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639543 1199291052 /nfs/dbraw/zinc/29/10/52/1199291052.db2.gz QDZJWBRFJIVVFR-ROUUACIJSA-N 2 0 391.560 0.215 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638728 1199292948 /nfs/dbraw/zinc/29/29/48/1199292948.db2.gz IBIXHIIQXQALOQ-QGZVFWFLSA-N 2 0 381.565 0.317 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672639079 1199293990 /nfs/dbraw/zinc/29/39/90/1199293990.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 2 0 379.549 0.119 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640966 1199298269 /nfs/dbraw/zinc/29/82/69/1199298269.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642506 1199300885 /nfs/dbraw/zinc/30/08/85/1199300885.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 2 0 379.549 0.070 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642910 1199305159 /nfs/dbraw/zinc/30/51/59/1199305159.db2.gz JQTXBLXWQKMAIE-ZWKOTPCHSA-N 2 0 393.576 0.652 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000672694212 1199315250 /nfs/dbraw/zinc/31/52/50/1199315250.db2.gz QJBIYMHENRJMGH-QRVBRYPASA-N 2 0 393.576 0.461 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000672695655 1199315731 /nfs/dbraw/zinc/31/57/31/1199315731.db2.gz GUMKCRRENTYLFX-QGZVFWFLSA-N 2 0 381.565 0.461 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000672693405 1199317962 /nfs/dbraw/zinc/31/79/62/1199317962.db2.gz VYMXQSZBZNFULY-QRQLOZEOSA-N 2 0 394.560 0.861 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000672697154 1199318713 /nfs/dbraw/zinc/31/87/13/1199318713.db2.gz PPKKPAMGCZWFEU-ROUUACIJSA-N 2 0 380.533 0.548 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)(C)C ZINC000672722645 1199321594 /nfs/dbraw/zinc/32/15/94/1199321594.db2.gz IUTLWQXFLCCEDY-MSOLQXFVSA-N 2 0 395.592 0.707 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000673096080 1199417720 /nfs/dbraw/zinc/41/77/20/1199417720.db2.gz XCQKSKFPMPVHFW-QAPCUYQASA-N 2 0 388.512 0.037 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224137 1199487743 /nfs/dbraw/zinc/48/77/43/1199487743.db2.gz KKTCWSOXNSGCMP-WMZOPIPTSA-N 2 0 395.592 0.706 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000466138132 1199490148 /nfs/dbraw/zinc/49/01/48/1199490148.db2.gz HEOYJEQRYPYVPJ-OALUTQOASA-N 2 0 383.581 0.652 20 0 GCADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000673287038 1199517537 /nfs/dbraw/zinc/51/75/37/1199517537.db2.gz WGWVIQYFHAGBRB-GOSISDBHSA-N 2 0 375.517 0.241 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673337177 1199548144 /nfs/dbraw/zinc/54/81/44/1199548144.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 2 0 381.565 0.461 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000673337203 1199549172 /nfs/dbraw/zinc/54/91/72/1199549172.db2.gz XKPXBZBNQYCYHZ-UHFFFAOYSA-N 2 0 395.592 0.852 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627350916 1199558176 /nfs/dbraw/zinc/55/81/76/1199558176.db2.gz FSHNIYPRUNVWEA-MSOLQXFVSA-N 2 0 376.501 0.160 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000673351595 1199566794 /nfs/dbraw/zinc/56/67/94/1199566794.db2.gz KUMLOTCWLUWXFF-GOSISDBHSA-N 2 0 376.501 0.414 20 0 GCADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000080163554 1199580863 /nfs/dbraw/zinc/58/08/63/1199580863.db2.gz HWENTVQABDQMOF-GOSISDBHSA-N 2 0 376.501 0.692 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CCCO1 ZINC000673427291 1199632004 /nfs/dbraw/zinc/63/20/04/1199632004.db2.gz ZZOBOZKKPRRHDF-QGZVFWFLSA-N 2 0 398.548 0.173 20 0 GCADRP CCN1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cncc2C)C3)C1 ZINC001004215148 1199818278 /nfs/dbraw/zinc/81/82/78/1199818278.db2.gz HELNFBVEHKETMM-WCXIOVBPSA-N 2 0 375.473 0.160 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584837 1199828570 /nfs/dbraw/zinc/82/85/70/1199828570.db2.gz RRIIHKBSGOXQMJ-ROUUACIJSA-N 2 0 380.533 0.329 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673585320 1199828639 /nfs/dbraw/zinc/82/86/39/1199828639.db2.gz ZUZWOZQVUCFHCJ-QXAKKESOSA-N 2 0 392.544 0.425 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673584864 1199828924 /nfs/dbraw/zinc/82/89/24/1199828924.db2.gz WIZNWOCKKPMLRA-KURKYZTESA-N 2 0 380.533 0.469 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673583858 1199830757 /nfs/dbraw/zinc/83/07/57/1199830757.db2.gz OHVKSUDHHVEVDI-ROUUACIJSA-N 2 0 392.544 0.567 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673583859 1199831162 /nfs/dbraw/zinc/83/11/62/1199831162.db2.gz OHVKSUDHHVEVDI-ZWKOTPCHSA-N 2 0 392.544 0.567 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)ccc1=O ZINC000866976855 1199935252 /nfs/dbraw/zinc/93/52/52/1199935252.db2.gz YPFFCSJQIMXADM-HNNXBMFYSA-N 2 0 395.504 0.803 20 0 GCADRP CN1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC001168746265 1199960498 /nfs/dbraw/zinc/96/04/98/1199960498.db2.gz GSHSWKWRYIEHJG-UHFFFAOYSA-N 2 0 380.518 0.311 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000625464726 1199964734 /nfs/dbraw/zinc/96/47/34/1199964734.db2.gz BNRXOMQGKHPJBS-SFHVURJKSA-N 3 0 381.565 0.461 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000674309668 1200219173 /nfs/dbraw/zinc/21/91/73/1200219173.db2.gz HISJFFVSHCUVGI-IRXDYDNUSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000675090500 1200351693 /nfs/dbraw/zinc/35/16/93/1200351693.db2.gz QPNGZEXEPSDILX-SFHVURJKSA-N 2 0 382.549 0.981 20 0 GCADRP O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670526815 1200404420 /nfs/dbraw/zinc/40/44/20/1200404420.db2.gz PHXMELJWRDUDJU-MSOLQXFVSA-N 2 0 392.544 0.881 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047697 1200480596 /nfs/dbraw/zinc/48/05/96/1200480596.db2.gz UDSDKTCVXOANMZ-YSIASYRMSA-N 2 0 393.576 0.832 20 0 GCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243185 1200515259 /nfs/dbraw/zinc/51/52/59/1200515259.db2.gz FFFWUJSQKURJKM-IEBWSBKVSA-N 2 0 390.532 0.612 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)CCO1 ZINC000507148987 1200610381 /nfs/dbraw/zinc/61/03/81/1200610381.db2.gz YOAVPSFDZJGVSM-OAHLLOKOSA-N 2 0 398.467 0.918 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000558530396 1200632077 /nfs/dbraw/zinc/63/20/77/1200632077.db2.gz XAZIPKRTTGEKEX-UHFFFAOYSA-N 2 0 388.472 0.962 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCSC1 ZINC000427566907 1200650978 /nfs/dbraw/zinc/65/09/78/1200650978.db2.gz ZCJFJKCNJKASTH-SFHVURJKSA-N 2 0 394.545 0.642 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000365936110 1200651125 /nfs/dbraw/zinc/65/11/25/1200651125.db2.gz KISPJEUUXYMEKE-GOSISDBHSA-N 2 0 398.511 1.507 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427298148 1200654435 /nfs/dbraw/zinc/65/44/35/1200654435.db2.gz ZWCSXQDGPQZFDU-MRXNPFEDSA-N 2 0 390.532 1.469 20 0 GCADRP C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427087559 1200671176 /nfs/dbraw/zinc/67/11/76/1200671176.db2.gz GXQZNZMOAXUZJP-UHFFFAOYSA-N 2 0 376.505 0.936 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000507207600 1200713254 /nfs/dbraw/zinc/71/32/54/1200713254.db2.gz FRVVRTLHWCWQDR-MRXNPFEDSA-N 2 0 386.456 0.679 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000477031727 1200789846 /nfs/dbraw/zinc/78/98/46/1200789846.db2.gz HZGFBYZNKMWUBV-GOSISDBHSA-N 2 0 395.592 0.850 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000571990040 1200807961 /nfs/dbraw/zinc/80/79/61/1200807961.db2.gz KNVDEIPMECGEJV-QGZVFWFLSA-N 2 0 378.521 1.364 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000477084200 1200820692 /nfs/dbraw/zinc/82/06/92/1200820692.db2.gz QWBURIUMSWNAJZ-INIZCTEOSA-N 2 0 390.532 0.296 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000477100028 1200821425 /nfs/dbraw/zinc/82/14/25/1200821425.db2.gz MLGYZCXNFYFBPA-HNNXBMFYSA-N 2 0 377.489 0.585 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000477103806 1200825339 /nfs/dbraw/zinc/82/53/39/1200825339.db2.gz XQTUPRCVOJEHEH-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000426997827 1200846789 /nfs/dbraw/zinc/84/67/89/1200846789.db2.gz MRMDLFWNGCZYRY-HNNXBMFYSA-N 2 0 376.505 0.936 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000426997828 1200848099 /nfs/dbraw/zinc/84/80/99/1200848099.db2.gz MRMDLFWNGCZYRY-OAHLLOKOSA-N 2 0 376.505 0.936 20 0 GCADRP [NH3+][C@@H](C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CCOCC1 ZINC000509334632 1200852057 /nfs/dbraw/zinc/85/20/57/1200852057.db2.gz ATINQGSLVUMSAA-QGZVFWFLSA-N 2 0 376.505 0.249 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000466709023 1200942806 /nfs/dbraw/zinc/94/28/06/1200942806.db2.gz WXBJFQRBRJBEGX-UHFFFAOYSA-N 2 0 394.560 0.890 20 0 GCADRP O=C1N[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923378177 1200973467 /nfs/dbraw/zinc/97/34/67/1200973467.db2.gz BZTPHHAFISQLMZ-BHIYHBOVSA-N 2 0 392.475 0.786 20 0 GCADRP O=C1N[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923378188 1200973833 /nfs/dbraw/zinc/97/38/33/1200973833.db2.gz RQGDFECESPFXPH-JQHSSLGASA-N 2 0 392.475 0.786 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000509387845 1200978527 /nfs/dbraw/zinc/97/85/27/1200978527.db2.gz ODTJARODHUZJTD-SFHVURJKSA-N 2 0 397.564 0.539 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000329286264 1201005258 /nfs/dbraw/zinc/00/52/58/1201005258.db2.gz MAHLCCWIYIUIRB-SJORKVTESA-N 2 0 376.505 1.306 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000329286262 1201005763 /nfs/dbraw/zinc/00/57/63/1201005763.db2.gz MAHLCCWIYIUIRB-IAGOWNOFSA-N 2 0 376.505 1.306 20 0 GCADRP C[NH+]1CC[C@@H]2OCCN(CCCCCN3CCO[C@@H]4CC[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000497128340 1201194082 /nfs/dbraw/zinc/19/40/82/1201194082.db2.gz ZWVOEZNWWTTWQR-NCYKPQTJSA-N 2 0 380.577 0.967 20 0 GCADRP C[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717513 1201253902 /nfs/dbraw/zinc/25/39/02/1201253902.db2.gz LNMJKQDUHFKFDG-AXUOBQJMSA-N 2 0 390.532 0.499 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCCN4CCCC4=O)C[C@H]32)O1 ZINC001084447543 1201412271 /nfs/dbraw/zinc/41/22/71/1201412271.db2.gz SAWYEADXGYKNRR-BRSBDYLESA-N 2 0 378.517 0.251 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C3(CO)CCOCC3)cc2)CC1 ZINC000731751048 1201500943 /nfs/dbraw/zinc/50/09/43/1201500943.db2.gz FUNRYOPFJNCGQG-UHFFFAOYSA-N 2 0 376.501 0.898 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCOCC4)[C@H]3C2)CC[N@@H+]1C ZINC001084944139 1201502367 /nfs/dbraw/zinc/50/23/67/1201502367.db2.gz VLCJWARPXFRKKI-TVFCKZIOSA-N 2 0 378.517 0.108 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084944960 1201503035 /nfs/dbraw/zinc/50/30/35/1201503035.db2.gz ZCBOKDFZVWQLOM-XDNAFOTISA-N 2 0 377.533 0.665 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273313131 1201636903 /nfs/dbraw/zinc/63/69/03/1201636903.db2.gz LSQINLKCBOHZLW-HOTGVXAUSA-N 2 0 380.558 0.625 20 0 GCADRP CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001085242572 1201647586 /nfs/dbraw/zinc/64/75/86/1201647586.db2.gz XQJFINFFLGBYPM-MWQQHZPXSA-N 2 0 378.521 0.843 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)c(=O)c2)O1 ZINC001085242624 1201647842 /nfs/dbraw/zinc/64/78/42/1201647842.db2.gz ZWQCDQVOWUFBKK-VDHUWJSZSA-N 2 0 376.501 0.621 20 0 GCADRP CC(C)n1nnnc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001085242579 1201648027 /nfs/dbraw/zinc/64/80/27/1201648027.db2.gz XYASJGWWYVOQQY-KLHDSHLOSA-N 2 0 379.509 0.490 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734267646 1201648841 /nfs/dbraw/zinc/64/88/41/1201648841.db2.gz NEBSAWSRLLHNQP-IBGZPJMESA-N 2 0 381.565 0.955 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000741415838 1201778835 /nfs/dbraw/zinc/77/88/35/1201778835.db2.gz XSLGKMJNYHBLKO-ZVDOUQERSA-N 2 0 388.512 0.786 20 0 GCADRP CN(C(=O)COCCOCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000741623514 1201782163 /nfs/dbraw/zinc/78/21/63/1201782163.db2.gz CSVBWCNQQBPDQW-HDICACEKSA-N 2 0 398.548 0.125 20 0 GCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000743978690 1201831766 /nfs/dbraw/zinc/83/17/66/1201831766.db2.gz NBWBJXNYWYVYHJ-QGZVFWFLSA-N 2 0 387.528 0.973 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1cc(CC[NH3+])cn1 ZINC001168947140 1201928934 /nfs/dbraw/zinc/92/89/34/1201928934.db2.gz SLWOTNTYUQVYMI-HNNXBMFYSA-N 2 0 375.473 0.874 20 0 GCADRP CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@@H](CO)C2)nc1-n1nncc1C[NH3+] ZINC001169309057 1201942046 /nfs/dbraw/zinc/94/20/46/1201942046.db2.gz XRDPAAVKNQUTCP-CYBMUJFWSA-N 2 0 387.488 0.920 20 0 GCADRP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001169472398 1201949519 /nfs/dbraw/zinc/94/95/19/1201949519.db2.gz PVVKPRBXWCQYGN-SFHVURJKSA-N 2 0 395.592 0.804 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCCC4(C3)OCCO4)CC[C@@H]2C1 ZINC001169945599 1201959939 /nfs/dbraw/zinc/95/99/39/1201959939.db2.gz KWXUEAVFYDVIKW-KZNAEPCWSA-N 2 0 381.517 0.783 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000770580935 1202104435 /nfs/dbraw/zinc/10/44/35/1202104435.db2.gz DKUDDLJKBVJLFQ-IEBWSBKVSA-N 2 0 381.565 0.955 20 0 GCADRP Cc1nccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(N)=O ZINC001109846499 1202134224 /nfs/dbraw/zinc/13/42/24/1202134224.db2.gz MRHKRUZNFNZQNO-ATGSNQNLSA-N 2 0 376.461 0.277 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1 ZINC001109847724 1202135011 /nfs/dbraw/zinc/13/50/11/1202135011.db2.gz DQLXDFPGMCBYHX-XWSJACJDSA-N 2 0 381.517 0.626 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CC(F)(F)F ZINC001109847720 1202135165 /nfs/dbraw/zinc/13/51/65/1202135165.db2.gz DLLTVCZIPBTQBB-KBXIAJHMSA-N 2 0 379.423 0.744 20 0 GCADRP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001110007334 1202174017 /nfs/dbraw/zinc/17/40/17/1202174017.db2.gz RIPQYOXHLPIRQK-BDXSIMOUSA-N 2 0 380.533 0.423 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000787633473 1205396230 /nfs/dbraw/zinc/39/62/30/1205396230.db2.gz BHJUUMNFEJEVSU-FGTMMUONSA-N 2 0 392.475 0.524 20 0 GCADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688601 1205398982 /nfs/dbraw/zinc/39/89/82/1205398982.db2.gz KAWQQFXJSAHBPC-MSOLQXFVSA-N 2 0 380.533 0.737 20 0 GCADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000787893991 1205405227 /nfs/dbraw/zinc/40/52/27/1205405227.db2.gz HJINEBFJJOGUQA-ZWKOTPCHSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000787901138 1205409025 /nfs/dbraw/zinc/40/90/25/1205409025.db2.gz AINCGAXVCIHBPX-SQNIBIBYSA-N 2 0 380.533 0.737 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCSC1 ZINC000788252810 1205417331 /nfs/dbraw/zinc/41/73/31/1205417331.db2.gz QFVJPCZKCPINBU-QFBILLFUSA-N 2 0 398.573 0.300 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000790186550 1205458359 /nfs/dbraw/zinc/45/83/59/1205458359.db2.gz KLMXHMCSOBTRJD-FUHWJXTLSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000790186547 1205458575 /nfs/dbraw/zinc/45/85/75/1205458575.db2.gz KLMXHMCSOBTRJD-AEFFLSMTSA-N 2 0 380.533 0.594 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790361044 1205462637 /nfs/dbraw/zinc/46/26/37/1205462637.db2.gz APRWFCDZLVAFCJ-HXUWFJFHSA-N 2 0 391.516 0.101 20 0 GCADRP O=C1O[C@@]2(CN1CN1CCC(C[NH+]3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790371177 1205463754 /nfs/dbraw/zinc/46/37/54/1205463754.db2.gz VJOIHPDRCURINO-HXUWFJFHSA-N 2 0 378.517 0.905 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cncc(N)c2)[C@H](O)OC(C)(C)C)C1 ZINC001170391553 1205491298 /nfs/dbraw/zinc/49/12/98/1205491298.db2.gz MPZMCWRTYPILNF-VDMKFOLZSA-N 2 0 381.521 0.937 20 0 GCADRP Cn1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001170390119 1205491306 /nfs/dbraw/zinc/49/13/06/1205491306.db2.gz HMXYWNSFTDIWRF-NBGIZXCLSA-N 2 0 397.520 0.054 20 0 GCADRP Cn1ccccc1=[N+]([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1N ZINC001170389497 1205491308 /nfs/dbraw/zinc/49/13/08/1205491308.db2.gz QZBYNZAHYQAYEU-FYAJOAKPSA-N 2 0 381.541 0.785 20 0 GCADRP CNc1ccnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170387923 1205491353 /nfs/dbraw/zinc/49/13/53/1205491353.db2.gz ILHVLPCROZZTKQ-ALCWZJMGSA-N 2 0 396.536 0.792 20 0 GCADRP COc1nccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170388488 1205491361 /nfs/dbraw/zinc/49/13/61/1205491361.db2.gz NBZKFILXGXXAEI-KBXBGSNASA-N 2 0 397.520 0.759 20 0 GCADRP Cn1c(=O)cccc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392706 1205491545 /nfs/dbraw/zinc/49/15/45/1205491545.db2.gz QCLQISQCBPUQFH-FLKCQLHMSA-N 2 0 396.532 0.659 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000793718020 1205503495 /nfs/dbraw/zinc/50/34/95/1205503495.db2.gz AEAQOSYGOIPAII-IRXDYDNUSA-N 2 0 395.548 0.036 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000793699100 1205504301 /nfs/dbraw/zinc/50/43/01/1205504301.db2.gz LTCCEUUFRRYBLW-KRWDZBQOSA-N 2 0 393.576 0.652 20 0 GCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793915352 1205509469 /nfs/dbraw/zinc/50/94/69/1205509469.db2.gz XSGIMLPBKYKAKA-IGKNDFSCSA-N 2 0 380.533 0.448 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000793916160 1205509510 /nfs/dbraw/zinc/50/95/10/1205509510.db2.gz XNZSIJGLIYENGH-MHORFTMASA-N 2 0 394.560 0.839 20 0 GCADRP O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001110102227 1205513564 /nfs/dbraw/zinc/51/35/64/1205513564.db2.gz WLUPTKVSLMEBPH-QPSCCSFWSA-N 2 0 379.423 0.744 20 0 GCADRP CC[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000804379708 1205515299 /nfs/dbraw/zinc/51/52/99/1205515299.db2.gz OWTIGAWPITVZHQ-QZTJIDSGSA-N 2 0 398.548 0.125 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CC[N@@H+]1C ZINC001130209933 1205536567 /nfs/dbraw/zinc/53/65/67/1205536567.db2.gz RDCNGGDOEVQTHA-XQLPTFJDSA-N 2 0 382.484 0.583 20 0 GCADRP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc12 ZINC000806537730 1205558330 /nfs/dbraw/zinc/55/83/30/1205558330.db2.gz VCZRVFVZHNCOQT-IAGOWNOFSA-N 2 0 385.468 0.281 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000806697469 1205562928 /nfs/dbraw/zinc/56/29/28/1205562928.db2.gz HSRSBPZMCBKUDJ-MRXNPFEDSA-N 2 0 384.521 0.130 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000807698218 1205588677 /nfs/dbraw/zinc/58/86/77/1205588677.db2.gz IDAWPFVDGOHIAM-KRWDZBQOSA-N 2 0 376.501 0.448 20 0 GCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810066908 1205633531 /nfs/dbraw/zinc/63/35/31/1205633531.db2.gz QNDUWEHWFCNILE-ZDUSSCGKSA-N 2 0 378.439 0.977 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172013393 1205711470 /nfs/dbraw/zinc/71/14/70/1205711470.db2.gz HWKFVXMRRAGLEY-KBAYOESNSA-N 2 0 378.517 0.251 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172175523 1205713708 /nfs/dbraw/zinc/71/37/08/1205713708.db2.gz SUYVHRVONYCBCY-ROUUACIJSA-N 2 0 391.560 0.310 20 0 GCADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001172601329 1205716532 /nfs/dbraw/zinc/71/65/32/1205716532.db2.gz KCKQPKKXTJCCKH-IAGOWNOFSA-N 2 0 376.494 0.333 20 0 GCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CCO)CCN1C(=O)c1ccccc1 ZINC001173509061 1205722112 /nfs/dbraw/zinc/72/21/12/1205722112.db2.gz QFQKFIXVAYSQJT-MSOLQXFVSA-N 2 0 377.485 0.737 20 0 GCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173750199 1205727170 /nfs/dbraw/zinc/72/71/70/1205727170.db2.gz HSRZERGPGHEHBE-LSDHHAIUSA-N 2 0 378.477 0.753 20 0 GCADRP CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001176738932 1205752735 /nfs/dbraw/zinc/75/27/35/1205752735.db2.gz VDQVYFARTLPUHH-CYBMUJFWSA-N 2 0 379.465 0.636 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1CCN(c2ncc(Br)cn2)CC1 ZINC001176824892 1205755521 /nfs/dbraw/zinc/75/55/21/1205755521.db2.gz SCFQWURKNJPMEQ-UHFFFAOYSA-N 2 0 398.309 0.916 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001178693309 1205792181 /nfs/dbraw/zinc/79/21/81/1205792181.db2.gz ZGMZNFAMUXMFRW-QGZVFWFLSA-N 2 0 379.549 0.168 20 0 GCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N(c3ncccn3)C3C[NH2+]C3)CC2)CC1 ZINC001179012296 1205799375 /nfs/dbraw/zinc/79/93/75/1205799375.db2.gz IUSJEALZADEYIL-UHFFFAOYSA-N 2 0 386.500 0.504 20 0 GCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCOC[C@H]3C[NH+](C)C)CC2)CC1 ZINC001179012342 1205799443 /nfs/dbraw/zinc/79/94/43/1205799443.db2.gz KODGMAHZEJEEIO-LJQANCHMSA-N 2 0 380.533 0.498 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001179149632 1205804003 /nfs/dbraw/zinc/80/40/03/1205804003.db2.gz GYNYDSCDTRYYHB-LIRRHRJNSA-N 2 0 397.520 0.934 20 0 GCADRP C[N@@H+]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156795 1205804121 /nfs/dbraw/zinc/80/41/21/1205804121.db2.gz UHXRFCBVXQCMNT-GJZGRUSLSA-N 2 0 382.505 0.565 20 0 GCADRP CC(C)[NH+]1CCN(CC(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001180350779 1205822056 /nfs/dbraw/zinc/82/20/56/1205822056.db2.gz FUTDYICUUGDLOS-UHFFFAOYSA-N 2 0 393.576 0.606 20 0 GCADRP NC(=O)C1CC[NH+](CCC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001180613882 1205827540 /nfs/dbraw/zinc/82/75/40/1205827540.db2.gz VZBRXDHRSZMRLE-UHFFFAOYSA-N 2 0 387.528 0.997 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001180804067 1205833555 /nfs/dbraw/zinc/83/35/55/1205833555.db2.gz JOBVQGOYBDLKQC-UHFFFAOYSA-N 2 0 381.502 0.548 20 0 GCADRP COC(=O)[C@@H]1C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCN1C(=O)OC(C)(C)C ZINC001181490003 1205844793 /nfs/dbraw/zinc/84/47/93/1205844793.db2.gz UDCSKIWXZPLXEP-OLZOCXBDSA-N 2 0 399.492 0.636 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001181991504 1205852774 /nfs/dbraw/zinc/85/27/74/1205852774.db2.gz ACWLBGMTFIWKGA-OAHLLOKOSA-N 2 0 377.489 0.725 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1(C)CC[NH+](C)CC1)CC2 ZINC001181986293 1205853068 /nfs/dbraw/zinc/85/30/68/1205853068.db2.gz ONSMDJUFKUZLNU-UHFFFAOYSA-N 2 0 393.576 0.415 20 0 GCADRP CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001182297598 1205863314 /nfs/dbraw/zinc/86/33/14/1205863314.db2.gz NNUXMYDCERMEIM-AWEZNQCLSA-N 2 0 384.525 0.779 20 0 GCADRP CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001182297600 1205863354 /nfs/dbraw/zinc/86/33/54/1205863354.db2.gz NNUXMYDCERMEIM-CQSZACIVSA-N 2 0 384.525 0.779 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCC[N@@H+]1CC1CC1)CC2 ZINC001182557659 1205875734 /nfs/dbraw/zinc/87/57/34/1205875734.db2.gz YXRWXEVDDRVBDQ-INIZCTEOSA-N 2 0 389.500 0.725 20 0 GCADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182561134 1205876702 /nfs/dbraw/zinc/87/67/02/1205876702.db2.gz QRTVOGTXBUNNIB-SFHVURJKSA-N 2 0 392.525 0.807 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CC(F)F)[C@@H](O)OC(C)(C)C)C1 ZINC001182967288 1205884170 /nfs/dbraw/zinc/88/41/70/1205884170.db2.gz QQXSTULAENWFCT-IKUJJKIKSA-N 2 0 381.464 0.937 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](Cc1c[nH]c2ncccc12)NC(C)=O ZINC001183457077 1205892847 /nfs/dbraw/zinc/89/28/47/1205892847.db2.gz OTYQJVDYSVUXHL-MRXNPFEDSA-N 2 0 387.488 0.674 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001183558010 1205894857 /nfs/dbraw/zinc/89/48/57/1205894857.db2.gz YBCBHHMXXJGKJA-UHFFFAOYSA-N 2 0 375.473 0.479 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001183557127 1205894924 /nfs/dbraw/zinc/89/49/24/1205894924.db2.gz OCTVNGBMKQVACA-UHFFFAOYSA-N 2 0 391.560 0.312 20 0 GCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[NH+](C)CCN1C)CCC2 ZINC001185253615 1205919347 /nfs/dbraw/zinc/91/93/47/1205919347.db2.gz XGGRIKMDTCVECK-KRWDZBQOSA-N 2 0 390.532 0.062 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000774853028 1205920873 /nfs/dbraw/zinc/92/08/73/1205920873.db2.gz GILADBXISDJWCS-RRFJBIMHSA-N 2 0 380.514 0.446 20 0 GCADRP Cn1nnc2c1CCN(C(=O)[C@H]1CCC[N@H+](C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001186354197 1205938664 /nfs/dbraw/zinc/93/86/64/1205938664.db2.gz ZTMFQHSLYCGKEJ-WMZOPIPTSA-N 2 0 390.532 0.695 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(N)=O)oc1C ZINC001186357993 1205938719 /nfs/dbraw/zinc/93/87/19/1205938719.db2.gz OJHLHDJGYDSIGW-AWEZNQCLSA-N 2 0 386.518 0.724 20 0 GCADRP CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001187087896 1205955239 /nfs/dbraw/zinc/95/52/39/1205955239.db2.gz XACDKKSJDUGDOT-CHWSQXEVSA-N 2 0 399.492 0.494 20 0 GCADRP Cc1n[nH]cc1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001188061582 1205974840 /nfs/dbraw/zinc/97/48/40/1205974840.db2.gz IZIPQQGXVYVYJH-NBGIZXCLSA-N 2 0 397.520 0.627 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCCC1 ZINC000775220894 1205995584 /nfs/dbraw/zinc/99/55/84/1205995584.db2.gz CTDVBNCIFZHCPU-IRXDYDNUSA-N 2 0 380.533 0.737 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001189552651 1206009373 /nfs/dbraw/zinc/00/93/73/1206009373.db2.gz VDFJYVVWBSFYHP-JFGISWHTSA-N 2 0 399.492 0.025 20 0 GCADRP Cn1nnc2c1CCN(c1ncnc3c1CC[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711228 720173513 /nfs/dbraw/zinc/17/35/13/720173513.db2.gz ADECLMHDVWZRRN-GOSISDBHSA-N 2 0 398.515 0.467 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@H]2C1 ZINC001164851884 720836042 /nfs/dbraw/zinc/83/60/42/720836042.db2.gz IOCRJQGKYPPWEW-ROUUACIJSA-N 2 0 390.532 0.402 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164848709 720840812 /nfs/dbraw/zinc/84/08/12/720840812.db2.gz AWOCVEMXRKKPIE-SJORKVTESA-N 2 0 376.505 0.060 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)CC[C@@H]2C1 ZINC001164856074 720865601 /nfs/dbraw/zinc/86/56/01/720865601.db2.gz OJGDDOSSXODAMW-AEFFLSMTSA-N 2 0 390.532 0.578 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)CC[C@H]2C1 ZINC001164856075 720865817 /nfs/dbraw/zinc/86/58/17/720865817.db2.gz OJGDDOSSXODAMW-FUHWJXTLSA-N 2 0 390.532 0.578 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@H]2C1 ZINC001164857380 720868659 /nfs/dbraw/zinc/86/86/59/720868659.db2.gz QRPMCTAAMLNSNU-HKUYNNGSSA-N 2 0 375.517 0.665 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164852972 720878007 /nfs/dbraw/zinc/87/80/07/720878007.db2.gz ASPCPRNNMMXKFY-WMZOPIPTSA-N 2 0 391.516 0.781 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164750025 720959081 /nfs/dbraw/zinc/95/90/81/720959081.db2.gz JCCATQUMAPMOFM-UHFFFAOYSA-N 2 0 399.499 0.786 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164773643 721144586 /nfs/dbraw/zinc/14/45/86/721144586.db2.gz YNLMYXFQKCKTIV-MSOLQXFVSA-N 2 0 382.516 0.578 20 0 GCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889749 721391406 /nfs/dbraw/zinc/39/14/06/721391406.db2.gz MAAUJZRDXAFCHD-WIYYLYMNSA-N 2 0 386.544 0.888 20 0 GCADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164890586 721394624 /nfs/dbraw/zinc/39/46/24/721394624.db2.gz OLYAUUUTIVAXGS-UWJYYQICSA-N 2 0 386.544 0.888 20 0 GCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2CC[NH2+]CC4)CC3)CC1 ZINC001164794922 721508392 /nfs/dbraw/zinc/50/83/92/721508392.db2.gz FYYIGYXCXMWPAN-UHFFFAOYSA-N 2 0 382.516 0.129 20 0 GCADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001165010632 721739041 /nfs/dbraw/zinc/73/90/41/721739041.db2.gz HXSDGULOSXCLMB-UHFFFAOYSA-N 2 0 387.532 0.409 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571264728 945492282 /nfs/dbraw/zinc/49/22/82/945492282.db2.gz VIYVIEJEHPVMKE-DLBZAZTESA-N 2 0 385.472 0.278 20 0 GCADRP CC[C@@H](C(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272492 945663275 /nfs/dbraw/zinc/66/32/75/945663275.db2.gz UTKFUQMGTDQQLK-PBHICJAKSA-N 2 0 386.504 0.983 20 0 GCADRP CC(C)(C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573773745 948992662 /nfs/dbraw/zinc/99/26/62/948992662.db2.gz GPOLNZAWNZFZQP-MRXNPFEDSA-N 2 0 384.488 0.865 20 0 GCADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCC1 ZINC001573775657 949047614 /nfs/dbraw/zinc/04/76/14/949047614.db2.gz ZMSFVGIKVOETHP-MRXNPFEDSA-N 2 0 387.488 0.308 20 0 GCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254296 949198460 /nfs/dbraw/zinc/19/84/60/949198460.db2.gz MJEPXPDBNWYJCQ-CQSZACIVSA-N 2 0 381.484 0.899 20 0 GCADRP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575271123 949613354 /nfs/dbraw/zinc/61/33/54/949613354.db2.gz IMYRPLWLRGVJBP-LBPRGKRZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714058 949618859 /nfs/dbraw/zinc/61/88/59/949618859.db2.gz ZXZLGJLSOWKVJO-TZMCWYRMSA-N 2 0 375.452 0.894 20 0 GCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574158057 950269662 /nfs/dbraw/zinc/26/96/62/950269662.db2.gz NPPWJGUIZNUVKF-AWEZNQCLSA-N 2 0 386.504 0.968 20 0 GCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574158725 950284839 /nfs/dbraw/zinc/28/48/39/950284839.db2.gz RGHDNSXGLPSZHX-HUUCEWRRSA-N 2 0 386.504 0.968 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197451 950390102 /nfs/dbraw/zinc/39/01/02/950390102.db2.gz OKFPQQZKPXMDBS-CABCVRRESA-N 2 0 384.488 0.676 20 0 GCADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001576204878 950484558 /nfs/dbraw/zinc/48/45/58/950484558.db2.gz DDWLUQWJMZSIGQ-QGZVFWFLSA-N 2 0 387.488 0.165 20 0 GCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576204976 950486124 /nfs/dbraw/zinc/48/61/24/950486124.db2.gz DZFGNODELKYRGD-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576205420 950520799 /nfs/dbraw/zinc/52/07/99/950520799.db2.gz ITAIRXUERXYEHN-MRXNPFEDSA-N 2 0 387.488 0.165 20 0 GCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575918662 950602087 /nfs/dbraw/zinc/60/20/87/950602087.db2.gz DOICUEXGLUJNKN-GOEBONIOSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208022 950605818 /nfs/dbraw/zinc/60/58/18/950605818.db2.gz LETSBZNJEJUSSQ-QLFBSQMISA-N 2 0 384.488 0.722 20 0 GCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576226786 950891177 /nfs/dbraw/zinc/89/11/77/950891177.db2.gz ARFFPEYXGJGBLN-UKRRQHHQSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024111 951091058 /nfs/dbraw/zinc/09/10/58/951091058.db2.gz VLHXSJCHWXJDFK-CYBMUJFWSA-N 2 0 380.456 0.976 20 0 GCADRP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575024112 951092834 /nfs/dbraw/zinc/09/28/34/951092834.db2.gz VLHXSJCHWXJDFK-ZDUSSCGKSA-N 2 0 380.456 0.976 20 0 GCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575077416 951667964 /nfs/dbraw/zinc/66/79/64/951667964.db2.gz CLURMTORVRUJHD-GXTWGEPZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079727 951695869 /nfs/dbraw/zinc/69/58/69/951695869.db2.gz GAXPGSASECGBKR-LRDDRELGSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079731 951696374 /nfs/dbraw/zinc/69/63/74/951696374.db2.gz GAXPGSASECGBKR-WBMJQRKESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082340 951732930 /nfs/dbraw/zinc/73/29/30/951732930.db2.gz XKQJFJOCSBHVGW-BLLLJJGKSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101246 951855691 /nfs/dbraw/zinc/85/56/91/951855691.db2.gz BGJCAJYCHCHWEL-OCCSQVGLSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120502 952505381 /nfs/dbraw/zinc/50/53/81/952505381.db2.gz MLULHSPJZXVFOB-CHWSQXEVSA-N 2 0 375.502 0.961 20 0 GCADRP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571189977 952937765 /nfs/dbraw/zinc/93/77/65/952937765.db2.gz BKIPBNNGRUBBHF-KRWDZBQOSA-N 2 0 381.484 0.995 20 0 GCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571190257 952940936 /nfs/dbraw/zinc/94/09/36/952940936.db2.gz GBNKULWUXUHGMY-KRWDZBQOSA-N 2 0 381.484 0.995 20 0 GCADRP O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571190464 952941820 /nfs/dbraw/zinc/94/18/20/952941820.db2.gz JIKFQRSSFVLMHE-KSZLIROESA-N 2 0 381.484 0.945 20 0 GCADRP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571213239 953093663 /nfs/dbraw/zinc/09/36/63/953093663.db2.gz PYXXWFPUKXEHPK-CBBWQLFWSA-N 2 0 382.472 0.700 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252619 953330473 /nfs/dbraw/zinc/33/04/73/953330473.db2.gz RQPAOVNNHARQFT-KBRIMQKVSA-N 2 0 384.488 0.817 20 0 GCADRP Cc1cc(NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252649 953331318 /nfs/dbraw/zinc/33/13/18/953331318.db2.gz SKUUGQCVQMQHGW-DZGCQCFKSA-N 2 0 384.488 0.594 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874417827 956205526 /nfs/dbraw/zinc/20/55/26/956205526.db2.gz RQIOWXKFUFCOOK-KRWDZBQOSA-N 2 0 383.537 0.593 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000530641671 530154536 /nfs/dbraw/zinc/15/45/36/530154536.db2.gz DOIVMYONKBFDSO-UHFFFAOYSA-N 2 0 390.575 0.405 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000264928962 530171804 /nfs/dbraw/zinc/17/18/04/530171804.db2.gz RUOMJRRJWCNFJL-UHFFFAOYSA-N 2 0 376.548 0.741 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCSC1 ZINC000417841447 530576446 /nfs/dbraw/zinc/57/64/46/530576446.db2.gz XKDAXKKFBTUBNW-OCCSQVGLSA-N 2 0 383.484 0.559 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCSC1 ZINC000417841438 530576576 /nfs/dbraw/zinc/57/65/76/530576576.db2.gz XKDAXKKFBTUBNW-GXTWGEPZSA-N 2 0 383.484 0.559 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCSC1 ZINC000417841443 530576890 /nfs/dbraw/zinc/57/68/90/530576890.db2.gz XKDAXKKFBTUBNW-JSGCOSHPSA-N 2 0 383.484 0.559 20 0 GCADRP COC(=O)C1(CS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CCC1 ZINC000462068331 530647743 /nfs/dbraw/zinc/64/77/43/530647743.db2.gz SHNJENCBTOHMQI-UHFFFAOYSA-N 2 0 375.535 0.617 20 0 GCADRP CN1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000579350932 530741413 /nfs/dbraw/zinc/74/14/13/530741413.db2.gz ABEWDJDCIUINMO-GJZGRUSLSA-N 2 0 395.301 0.903 20 0 GCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)CCCN1CCOCC1 ZINC000376949370 530820351 /nfs/dbraw/zinc/82/03/51/530820351.db2.gz OGIRSONNKOKPOV-IXDOHACOSA-N 2 0 375.535 0.222 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000420027763 530964797 /nfs/dbraw/zinc/96/47/97/530964797.db2.gz LISWMFJCWDUTAE-LBPRGKRZSA-N 2 0 385.306 0.803 20 0 GCADRP COC(=O)c1ncsc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000327983729 531024424 /nfs/dbraw/zinc/02/44/24/531024424.db2.gz QNAGZKJLJQTXGH-UHFFFAOYSA-N 2 0 390.531 0.576 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)ccn1 ZINC000359900916 209202450 /nfs/dbraw/zinc/20/24/50/209202450.db2.gz QPKDIOYAJAPKKK-SFHVURJKSA-N 2 0 391.516 0.110 20 0 GCADRP Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000737220110 599003071 /nfs/dbraw/zinc/00/30/71/599003071.db2.gz BPNQONGEJLOZAW-UHFFFAOYSA-N 2 0 381.506 0.289 20 0 GCADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736847288 598768048 /nfs/dbraw/zinc/76/80/48/598768048.db2.gz GEPVWMWWGBVQSY-MRXNPFEDSA-N 2 0 383.456 0.772 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826436875 607715057 /nfs/dbraw/zinc/71/50/57/607715057.db2.gz MQYABIWKHDGAOO-UHFFFAOYSA-N 2 0 381.444 0.532 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821587338 606967937 /nfs/dbraw/zinc/96/79/37/606967937.db2.gz SCRJMKSSHJZUQO-UHFFFAOYSA-N 2 0 375.452 0.896 20 0 GCADRP Cn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826038636 609335281 /nfs/dbraw/zinc/33/52/81/609335281.db2.gz SJXZZRQLWRFWRP-UHFFFAOYSA-N 2 0 395.515 0.994 20 0 GCADRP Cn1nnc(Br)c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000319512017 638625573 /nfs/dbraw/zinc/62/55/73/638625573.db2.gz ZPEPPFJIIWAUMW-UHFFFAOYSA-N 2 0 375.315 0.923 20 0 GCADRP Cn1cc(CN(CC[NH+](C)C)CC[NH+](C)C)c(I)n1 ZINC000894766594 638710839 /nfs/dbraw/zinc/71/08/39/638710839.db2.gz SGVQESBMYUIZPO-UHFFFAOYSA-N 2 0 379.290 0.950 20 0 GCADRP CCO[C@H](CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)C[NH+](C)C ZINC000921631919 640058554 /nfs/dbraw/zinc/05/85/54/640058554.db2.gz KVHSMOQPXAKHMD-OAHLLOKOSA-N 2 0 375.539 0.307 20 0 GCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCOCC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000867588674 641359425 /nfs/dbraw/zinc/35/94/25/641359425.db2.gz HPYJYNOOGKASLB-CHWSQXEVSA-N 2 0 375.457 0.566 20 0 GCADRP COC(=O)CC1(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867589925 641359907 /nfs/dbraw/zinc/35/99/07/641359907.db2.gz SMDVQIOTBWLSEO-HUUCEWRRSA-N 2 0 375.535 0.331 20 0 GCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000867591257 641360366 /nfs/dbraw/zinc/36/03/66/641360366.db2.gz ZVWPDPDWBXJLGX-HUUCEWRRSA-N 2 0 397.607 0.201 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2csc(S(N)(=O)=O)c2)C[C@H]1C[NH+](C)C ZINC000880930796 641637199 /nfs/dbraw/zinc/63/71/99/641637199.db2.gz FKCVNXOMYHZTFT-VXGBXAGGSA-N 2 0 389.547 0.599 20 0 GCADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000925792112 641917455 /nfs/dbraw/zinc/91/74/55/641917455.db2.gz SYAPOMFWAKCIAT-NFAWXSAZSA-N 2 0 389.543 0.918 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CCO1 ZINC000662950359 1192166171 /nfs/dbraw/zinc/16/61/71/1192166171.db2.gz GTTHAPLHESVOSO-YTQUADARSA-N 2 0 388.512 0.336 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000642683247 1192177510 /nfs/dbraw/zinc/17/75/10/1192177510.db2.gz KFLYYMUIFBFJPH-QFBILLFUSA-N 2 0 388.512 0.384 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662987151 1192178711 /nfs/dbraw/zinc/17/87/11/1192178711.db2.gz RCMAJUGXHHOPTA-MKXGPGLRSA-N 2 0 393.576 0.589 20 0 GCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000563081861 1192182119 /nfs/dbraw/zinc/18/21/19/1192182119.db2.gz SMHSKTXVZDOLBW-GOSISDBHSA-N 2 0 392.475 0.653 20 0 GCADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017167 1192186122 /nfs/dbraw/zinc/18/61/22/1192186122.db2.gz IRNKGYGXBPPQMU-CABCVRRESA-N 2 0 398.515 0.639 20 0 GCADRP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(=O)N1CCCCC1 ZINC000652347720 1192198747 /nfs/dbraw/zinc/19/87/47/1192198747.db2.gz KAOWERTXBFDBMF-XLAORIBOSA-N 2 0 380.533 0.722 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000661986437 1192212217 /nfs/dbraw/zinc/21/22/17/1192212217.db2.gz HELOOYPAMZKUON-HKUYNNGSSA-N 2 0 380.533 0.994 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000652459920 1192228189 /nfs/dbraw/zinc/22/81/89/1192228189.db2.gz UZVBXOOEZMPIFD-UHFFFAOYSA-N 2 0 391.516 0.833 20 0 GCADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000662263536 1192272896 /nfs/dbraw/zinc/27/28/96/1192272896.db2.gz CCIUKFJRAGEGCG-AEFFLSMTSA-N 2 0 394.541 0.675 20 0 GCADRP [NH3+]CCn1cc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nn1 ZINC000662390770 1192288747 /nfs/dbraw/zinc/28/87/47/1192288747.db2.gz MXFGKBMLZXVYGG-UHFFFAOYSA-N 2 0 385.516 0.565 20 0 GCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577117 1192313957 /nfs/dbraw/zinc/31/39/57/1192313957.db2.gz DHCVFVQLTMJKDM-OTWHNJEPSA-N 2 0 383.496 0.968 20 0 GCADRP CNc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000467741647 1192330014 /nfs/dbraw/zinc/33/00/14/1192330014.db2.gz KZCPCMRJHIIOFD-QBPKDAKJSA-N 2 0 386.548 0.256 20 0 GCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000636892202 1192336044 /nfs/dbraw/zinc/33/60/44/1192336044.db2.gz RTGUERJXDFAFGI-IBGZPJMESA-N 2 0 376.501 0.509 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637001808 1192362281 /nfs/dbraw/zinc/36/22/81/1192362281.db2.gz OAGANDQJQIJFJF-ROUUACIJSA-N 2 0 375.517 0.717 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663514538 1192371806 /nfs/dbraw/zinc/37/18/06/1192371806.db2.gz ZQCHZTLCZUKJFF-DLBZAZTESA-N 3 0 389.548 0.196 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCCC1 ZINC000652664815 1192376535 /nfs/dbraw/zinc/37/65/35/1192376535.db2.gz RVGQGZMQZZLLMN-OKZBNKHCSA-N 2 0 394.560 0.970 20 0 GCADRP CC(C)(O)C[NH+]1CCN(c2cnc(N3CC[NH+](CC(C)(C)O)CC3)cn2)CC1 ZINC000663533692 1192376827 /nfs/dbraw/zinc/37/68/27/1192376827.db2.gz SWBDZZGMGXWVGR-UHFFFAOYSA-N 2 0 392.548 0.262 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@](C)(C(F)F)O1 ZINC000663537324 1192377293 /nfs/dbraw/zinc/37/72/93/1192377293.db2.gz GTOVDAUXAIJTBZ-CXAGYDPISA-N 2 0 378.464 0.209 20 0 GCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000652666249 1192379949 /nfs/dbraw/zinc/37/99/49/1192379949.db2.gz BMBXHZJNEDEBJC-IBGZPJMESA-N 2 0 388.512 0.510 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCCC1 ZINC000652666344 1192379963 /nfs/dbraw/zinc/37/99/63/1192379963.db2.gz DWMDAAYFNCGHIO-ULQDDVLXSA-N 2 0 380.533 0.722 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000585725337 1192398801 /nfs/dbraw/zinc/39/88/01/1192398801.db2.gz MSTFKHSQVGTDCT-IPMKNSEASA-N 2 0 391.560 0.356 20 0 GCADRP C[C@@H](NC(=O)COCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000512136149 1192468707 /nfs/dbraw/zinc/46/87/07/1192468707.db2.gz BYQZKZZEFLMCOG-IYBDPMFKSA-N 2 0 378.517 0.536 20 0 GCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652677594 1192470075 /nfs/dbraw/zinc/47/00/75/1192470075.db2.gz ADHHEJJFWSZFTI-OKZBNKHCSA-N 2 0 380.533 0.579 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000663739822 1192519212 /nfs/dbraw/zinc/51/92/12/1192519212.db2.gz XHEKRZPWFCUTPG-UHFFFAOYSA-N 2 0 390.532 0.707 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[NH2+]1 ZINC000418605939 1192525014 /nfs/dbraw/zinc/52/50/14/1192525014.db2.gz QAOKASPRPNLIOI-NJAFHUGGSA-N 2 0 375.517 0.715 20 0 GCADRP NC(=O)[C@@H]1CCCN1C(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])c(Cl)c1 ZINC001167881126 1192569483 /nfs/dbraw/zinc/56/94/83/1192569483.db2.gz WZNXCEVZAVBMEM-LBPRGKRZSA-N 2 0 381.868 0.500 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187413152 1192589467 /nfs/dbraw/zinc/58/94/67/1192589467.db2.gz VWVLQVCGOQACFV-SFHVURJKSA-N 2 0 383.581 0.891 20 0 GCADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418630703 1192620986 /nfs/dbraw/zinc/62/09/86/1192620986.db2.gz FZWPLXYXJFEAEM-HBFSDRIKSA-N 2 0 385.512 0.819 20 0 GCADRP COCC1(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000418638782 1192623054 /nfs/dbraw/zinc/62/30/54/1192623054.db2.gz LSWPWFVULMJKGB-OAQYLSRUSA-N 2 0 390.528 0.939 20 0 GCADRP COC[C@]1(CNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000418652719 1192625493 /nfs/dbraw/zinc/62/54/93/1192625493.db2.gz JEQZWNSCJXCNID-WSTZPKSXSA-N 2 0 376.501 0.690 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000418765022 1192640236 /nfs/dbraw/zinc/64/02/36/1192640236.db2.gz ATWOBHQOBMOGSF-SFHVURJKSA-N 2 0 387.528 0.525 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418760188 1192640838 /nfs/dbraw/zinc/64/08/38/1192640838.db2.gz GYNZAEZTGVOMKH-SQNIBIBYSA-N 2 0 375.517 0.702 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000418774662 1192642194 /nfs/dbraw/zinc/64/21/94/1192642194.db2.gz DKQKASMCJYFKKG-UHFFFAOYSA-N 2 0 387.528 0.527 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418788954 1192644229 /nfs/dbraw/zinc/64/42/29/1192644229.db2.gz WFALDYWPWWDCBX-GOSISDBHSA-N 2 0 387.528 0.573 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000418782316 1192644722 /nfs/dbraw/zinc/64/47/22/1192644722.db2.gz NCDHSIPBASNXGY-UHFFFAOYSA-N 2 0 387.528 0.703 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000418793878 1192645745 /nfs/dbraw/zinc/64/57/45/1192645745.db2.gz AVFIIIMBOOKSPJ-IRXDYDNUSA-N 2 0 380.533 0.581 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000418793879 1192645890 /nfs/dbraw/zinc/64/58/90/1192645890.db2.gz AVFIIIMBOOKSPJ-SJORKVTESA-N 2 0 380.533 0.581 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418807768 1192650771 /nfs/dbraw/zinc/65/07/71/1192650771.db2.gz QFBITBZOHNZXED-SJORKVTESA-N 2 0 378.517 0.206 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418795318 1192647058 /nfs/dbraw/zinc/64/70/58/1192647058.db2.gz CKXHBPZUXCUXQX-KRWDZBQOSA-N 2 0 382.549 0.875 20 0 GCADRP CN(C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000418805449 1192649811 /nfs/dbraw/zinc/64/98/11/1192649811.db2.gz NKLGMIWIUFVEFT-UHFFFAOYSA-N 2 0 380.533 0.596 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CCCC1 ZINC000418807281 1192650075 /nfs/dbraw/zinc/65/00/75/1192650075.db2.gz PRZOVQBVYFKVIK-MSOLQXFVSA-N 2 0 394.560 0.970 20 0 GCADRP CC1(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]CC1 ZINC000418808828 1192651289 /nfs/dbraw/zinc/65/12/89/1192651289.db2.gz RNHSGENLMXPTPS-UHFFFAOYSA-N 2 0 394.560 0.891 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H](C)[NH2+]1 ZINC000418810666 1192651911 /nfs/dbraw/zinc/65/19/11/1192651911.db2.gz UTVJOAFKSTXDFL-CALCHBBNSA-N 2 0 380.533 0.594 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[NH+](C)C)cc1OC ZINC000418827310 1192656850 /nfs/dbraw/zinc/65/68/50/1192656850.db2.gz GRDSERIGRRTSRK-DZKIICNBSA-N 2 0 392.500 0.632 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418823878 1192656311 /nfs/dbraw/zinc/65/63/11/1192656311.db2.gz COQUMNUYXSISJB-QGZVFWFLSA-N 2 0 380.533 0.738 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)[NH+](C)C)c1 ZINC000418837602 1192662660 /nfs/dbraw/zinc/66/26/60/1192662660.db2.gz AWWMQPQQZRSCOH-QGZVFWFLSA-N 2 0 376.501 0.920 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])[NH+](C)C)c1 ZINC000418837534 1192662780 /nfs/dbraw/zinc/66/27/80/1192662780.db2.gz ANUMSXHFYQISEX-JLSDUUJJSA-N 2 0 376.501 1.000 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)C1 ZINC000418834410 1192660951 /nfs/dbraw/zinc/66/09/51/1192660951.db2.gz OIYZEMPTWXGETP-LSDHHAIUSA-N 2 0 378.473 0.243 20 0 GCADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000418826120 1192657058 /nfs/dbraw/zinc/65/70/58/1192657058.db2.gz CGPGKXUEXVXMJP-YOEHRIQHSA-N 2 0 380.439 0.737 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCCC2)cc1 ZINC000418840896 1192663064 /nfs/dbraw/zinc/66/30/64/1192663064.db2.gz YJXBTGQQLSZXHS-SFHVURJKSA-N 2 0 392.500 0.118 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000418852584 1192666232 /nfs/dbraw/zinc/66/62/32/1192666232.db2.gz REUYUWGYJOOEKV-WBVHZDCISA-N 2 0 390.484 0.053 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])[NH+](C)C)c1 ZINC000418837537 1192662907 /nfs/dbraw/zinc/66/29/07/1192662907.db2.gz ANUMSXHFYQISEX-WBAXXEDZSA-N 2 0 376.501 1.000 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)[NH+](C)C)c1 ZINC000418857950 1192669629 /nfs/dbraw/zinc/66/96/29/1192669629.db2.gz IHSSTTZZSOMSBZ-HFTRVMKXSA-N 2 0 376.501 0.857 20 0 GCADRP C[C@H]([NH2+]C1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000418865449 1192669723 /nfs/dbraw/zinc/66/97/23/1192669723.db2.gz LWOMIJYOGCMNML-FUHWJXTLSA-N 2 0 388.512 0.952 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[NH+](C)C)c1 ZINC000418862284 1192671058 /nfs/dbraw/zinc/67/10/58/1192671058.db2.gz OAHNTHGCUNVVBW-JQFCIGGWSA-N 2 0 392.500 0.643 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418863287 1192671661 /nfs/dbraw/zinc/67/16/61/1192671661.db2.gz PGLDNOPIQWIOJG-KYJSFNMBSA-N 2 0 376.501 0.918 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000418864887 1192672158 /nfs/dbraw/zinc/67/21/58/1192672158.db2.gz RAWHXXGMBABFGS-MSOLQXFVSA-N 2 0 376.501 0.762 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)c1 ZINC000418875007 1192674138 /nfs/dbraw/zinc/67/41/38/1192674138.db2.gz JVASGJIFHBYYSE-ZIFCJYIRSA-N 2 0 386.496 0.626 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000418869241 1192673139 /nfs/dbraw/zinc/67/31/39/1192673139.db2.gz WWJFYVJVRCECRF-OTWHNJEPSA-N 2 0 390.528 0.933 20 0 GCADRP C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000418870392 1192673616 /nfs/dbraw/zinc/67/36/16/1192673616.db2.gz UAIAEUYWWXYVIJ-SJLPKXTDSA-N 2 0 388.512 0.871 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418884216 1192678648 /nfs/dbraw/zinc/67/86/48/1192678648.db2.gz WLNRWIQZAXVXFP-ZWKOTPCHSA-N 2 0 376.501 0.503 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000418877916 1192676001 /nfs/dbraw/zinc/67/60/01/1192676001.db2.gz PXZSWDVHOSFTSY-MOPGFXCFSA-N 2 0 388.512 0.857 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCCCC1 ZINC000418900297 1192682691 /nfs/dbraw/zinc/68/26/91/1192682691.db2.gz MKDSWUJGMGSRMI-INIZCTEOSA-N 2 0 395.548 0.071 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)C[C@@H]1C[NH3+] ZINC000418919896 1192691488 /nfs/dbraw/zinc/69/14/88/1192691488.db2.gz XVLLVRRUBSWHNB-LPHOPBHVSA-N 2 0 388.512 0.578 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000418927322 1192693494 /nfs/dbraw/zinc/69/34/94/1192693494.db2.gz SOQCTASYYQTXTP-ROUUACIJSA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000418926412 1192694055 /nfs/dbraw/zinc/69/40/55/1192694055.db2.gz RFXSBHONHFWVEO-QGZVFWFLSA-N 2 0 380.533 0.452 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418932392 1192694542 /nfs/dbraw/zinc/69/45/42/1192694542.db2.gz ZCWNXDMESKSDBK-GOSISDBHSA-N 2 0 382.549 0.888 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418959374 1192699980 /nfs/dbraw/zinc/69/99/80/1192699980.db2.gz ZSOXCCQIZYTKHR-RCCFBDPRSA-N 2 0 394.560 0.765 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000418954264 1192700524 /nfs/dbraw/zinc/70/05/24/1192700524.db2.gz NGJSPKRIKWJZII-MRXNPFEDSA-N 2 0 377.489 0.239 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000418956512 1192701751 /nfs/dbraw/zinc/70/17/51/1192701751.db2.gz SIUKLRLAYMXRGL-GVDBMIGSSA-N 2 0 389.500 0.224 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C[NH2+]1 ZINC000418960368 1192705468 /nfs/dbraw/zinc/70/54/68/1192705468.db2.gz IVGXYOGLVLTXPA-IAGOWNOFSA-N 2 0 388.512 0.986 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418959478 1192702160 /nfs/dbraw/zinc/70/21/60/1192702160.db2.gz ZZXGJTXPGOOWSV-DZJNRPSUSA-N 2 0 380.533 0.504 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418959479 1192702567 /nfs/dbraw/zinc/70/25/67/1192702567.db2.gz ZZXGJTXPGOOWSV-LEUOFYLZSA-N 2 0 380.533 0.504 20 0 GCADRP [NH3+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000418973432 1192706086 /nfs/dbraw/zinc/70/60/86/1192706086.db2.gz AHGWWLQRLLGKRC-RBUKOAKNSA-N 2 0 384.455 0.985 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000418970565 1192707543 /nfs/dbraw/zinc/70/75/43/1192707543.db2.gz WSFBBTMQOXTIDG-XIVBQZFQSA-N 2 0 388.512 0.856 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000410574738 1192722507 /nfs/dbraw/zinc/72/25/07/1192722507.db2.gz LJGBWCHSUFNDSX-UHFFFAOYSA-N 2 0 384.565 0.869 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419026763 1192728481 /nfs/dbraw/zinc/72/84/81/1192728481.db2.gz NSCOFKDJQNKPDA-JFRXWTBNSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419021267 1192726058 /nfs/dbraw/zinc/72/60/58/1192726058.db2.gz GQLQTFBTHVXCDU-KCITZHQASA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419024924 1192727589 /nfs/dbraw/zinc/72/75/89/1192727589.db2.gz LHCGBGPMDCXENZ-INIZCTEOSA-N 2 0 382.549 0.970 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419025639 1192727990 /nfs/dbraw/zinc/72/79/90/1192727990.db2.gz MLULUPOHFXPVNS-WCXIOVBPSA-N 2 0 382.549 0.824 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000419030530 1192733269 /nfs/dbraw/zinc/73/32/69/1192733269.db2.gz HVMGDGUGAJLDLG-MRXNPFEDSA-N 2 0 382.574 0.922 20 0 GCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C1 ZINC000419033890 1192733301 /nfs/dbraw/zinc/73/33/01/1192733301.db2.gz XRRKYVYZVVJKNY-WDSOQIARSA-N 2 0 388.512 0.857 20 0 GCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000419033886 1192733172 /nfs/dbraw/zinc/73/31/72/1192733172.db2.gz XRRKYVYZVVJKNY-QXAKKESOSA-N 2 0 388.512 0.857 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419044392 1192738282 /nfs/dbraw/zinc/73/82/82/1192738282.db2.gz PTLYAGKIKCDDBN-HOCLYGCPSA-N 2 0 384.521 0.221 20 0 GCADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000419043539 1192741309 /nfs/dbraw/zinc/74/13/09/1192741309.db2.gz RMRDZLKHUISKRG-RCCFBDPRSA-N 2 0 382.549 0.840 20 0 GCADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419045189 1192741994 /nfs/dbraw/zinc/74/19/94/1192741994.db2.gz RRSXHHAHCALSFP-GOSISDBHSA-N 2 0 388.512 0.652 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@@H](C)C1 ZINC000419045056 1192742048 /nfs/dbraw/zinc/74/20/48/1192742048.db2.gz VNELYUUDEICUIJ-VMXHOPILSA-N 2 0 394.560 0.825 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000419062816 1192758897 /nfs/dbraw/zinc/75/88/97/1192758897.db2.gz HDXQPTWAWOHTMK-INMHGKMJSA-N 2 0 376.501 0.807 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419065146 1192760568 /nfs/dbraw/zinc/76/05/68/1192760568.db2.gz ZARSPEMGPWTLFO-QXAKKESOSA-N 2 0 388.512 0.460 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237833422 1192765540 /nfs/dbraw/zinc/76/55/40/1192765540.db2.gz CRPRCELVECHOOL-FPOVZHCZSA-N 2 0 397.523 0.982 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000419074759 1192772746 /nfs/dbraw/zinc/77/27/46/1192772746.db2.gz MGSQYRUIKYCWOQ-QZTJIDSGSA-N 2 0 392.500 0.299 20 0 GCADRP C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CCO1 ZINC000419082314 1192777463 /nfs/dbraw/zinc/77/74/63/1192777463.db2.gz ZQKZJOWJWLZFGH-INIZCTEOSA-N 2 0 388.512 0.721 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000419100929 1192786290 /nfs/dbraw/zinc/78/62/90/1192786290.db2.gz GTMYSUBCERERSS-UHFFFAOYSA-N 2 0 388.512 0.818 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000419109356 1192790017 /nfs/dbraw/zinc/79/00/17/1192790017.db2.gz ATQZCDJYNFCRNP-QGZVFWFLSA-N 2 0 395.548 0.069 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419109800 1192790710 /nfs/dbraw/zinc/79/07/10/1192790710.db2.gz RRXGJBHPBQRCBN-MRXNPFEDSA-N 2 0 376.501 0.626 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000419121753 1192794780 /nfs/dbraw/zinc/79/47/80/1192794780.db2.gz VIXRXROUODZVTC-SJORKVTESA-N 2 0 388.516 0.083 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419123250 1192795578 /nfs/dbraw/zinc/79/55/78/1192795578.db2.gz YALPQBUVXZEHET-KRWDZBQOSA-N 2 0 390.532 0.281 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CC[NH+](C)CC1 ZINC000419128210 1192797785 /nfs/dbraw/zinc/79/77/85/1192797785.db2.gz VOISWTBVNUCVOG-OALUTQOASA-N 2 0 393.576 0.365 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)N1CC[NH+](C)CC1 ZINC000419127672 1192797980 /nfs/dbraw/zinc/79/79/80/1192797980.db2.gz RWDDQICCXOGQLZ-ZWKOTPCHSA-N 2 0 381.565 0.398 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419110962 1192798524 /nfs/dbraw/zinc/79/85/24/1192798524.db2.gz SSOJEPRPPRBPKM-ROUUACIJSA-N 2 0 388.512 0.589 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000419130925 1192805784 /nfs/dbraw/zinc/80/57/84/1192805784.db2.gz BOMKIHMQWDMRFK-DOTOQJQBSA-N 2 0 376.501 0.687 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000419131193 1192805817 /nfs/dbraw/zinc/80/58/17/1192805817.db2.gz GHUIZTDZBMEYIR-HNNXBMFYSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419132274 1192806374 /nfs/dbraw/zinc/80/63/74/1192806374.db2.gz DWEUPWOSKJTOEY-RDJZCZTQSA-N 2 0 376.501 0.829 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000419136569 1192807931 /nfs/dbraw/zinc/80/79/31/1192807931.db2.gz PKPNIPRGGFIAGB-INIZCTEOSA-N 2 0 388.512 0.844 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)(C)C ZINC000419135855 1192808501 /nfs/dbraw/zinc/80/85/01/1192808501.db2.gz NYESZFDIFAYVOW-HOTGVXAUSA-N 2 0 397.564 0.315 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419151061 1192810739 /nfs/dbraw/zinc/81/07/39/1192810739.db2.gz MYLJUGGNTLQIHI-WBVHZDCISA-N 2 0 376.501 0.972 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000419144889 1192814468 /nfs/dbraw/zinc/81/44/68/1192814468.db2.gz GYCRMPCTIUABMZ-OAHLLOKOSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000419146801 1192815307 /nfs/dbraw/zinc/81/53/07/1192815307.db2.gz IODAIEKCSZMGGS-CVEARBPZSA-N 2 0 376.501 0.748 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)[C@H]1C[NH3+] ZINC000419156835 1192816886 /nfs/dbraw/zinc/81/68/86/1192816886.db2.gz VTLBLZNDMWYEDX-RDJZCZTQSA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419159501 1192817448 /nfs/dbraw/zinc/81/74/48/1192817448.db2.gz ZJFUSPRVGMKWMR-KRWDZBQOSA-N 2 0 376.501 0.877 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419160462 1192818493 /nfs/dbraw/zinc/81/84/93/1192818493.db2.gz HLBZJCHCDAMVAP-LJQANCHMSA-N 2 0 389.544 0.281 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419159210 1192818663 /nfs/dbraw/zinc/81/86/63/1192818663.db2.gz FXUYYZFHTKCSHH-MRXNPFEDSA-N 2 0 397.564 0.219 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)[NH2+]1 ZINC000419166089 1192822960 /nfs/dbraw/zinc/82/29/60/1192822960.db2.gz OFOPWQVMZFHZKP-ZIFCJYIRSA-N 2 0 388.512 0.603 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419163552 1192820618 /nfs/dbraw/zinc/82/06/18/1192820618.db2.gz LOYOQKAMEKYVFG-OALUTQOASA-N 2 0 390.528 0.754 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419162837 1192821597 /nfs/dbraw/zinc/82/15/97/1192821597.db2.gz ICKSGNKGRPYOAR-SFHVURJKSA-N 2 0 376.501 0.510 20 0 GCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168046 1192823218 /nfs/dbraw/zinc/82/32/18/1192823218.db2.gz ROMUSGQSJPSVRE-LJQANCHMSA-N 2 0 386.496 0.430 20 0 GCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419176129 1192828162 /nfs/dbraw/zinc/82/81/62/1192828162.db2.gz YSMMPVHIGFRMCM-DLBZAZTESA-N 2 0 395.548 0.069 20 0 GCADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000410694579 1192830338 /nfs/dbraw/zinc/83/03/38/1192830338.db2.gz CGQPDVSYKUIDMJ-QGZVFWFLSA-N 2 0 382.549 0.602 20 0 GCADRP COc1cc(C[NH+](C)[C@@]2(CO)CCOC2)cc(C[N@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000432868762 1192830716 /nfs/dbraw/zinc/83/07/16/1192830716.db2.gz XOLGZXKXDTYWKF-NHCUHLMSSA-N 2 0 394.512 0.862 20 0 GCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419192579 1192831129 /nfs/dbraw/zinc/83/11/29/1192831129.db2.gz PIPISSKVHHREAT-RBUKOAKNSA-N 2 0 384.524 0.878 20 0 GCADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419190085 1192831407 /nfs/dbraw/zinc/83/14/07/1192831407.db2.gz MOLCZVLTGFDIEP-LJQANCHMSA-N 2 0 388.512 0.721 20 0 GCADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000419191153 1192831511 /nfs/dbraw/zinc/83/15/11/1192831511.db2.gz NXHUSENDOKRHPD-OALUTQOASA-N 2 0 388.512 0.326 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000419196406 1192832432 /nfs/dbraw/zinc/83/24/32/1192832432.db2.gz AVZRCDBYDVUVEX-UHOSZYNNSA-N 2 0 388.512 0.829 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000419196017 1192832547 /nfs/dbraw/zinc/83/25/47/1192832547.db2.gz AGWKSLIEDLBJJT-APWZRJJASA-N 2 0 388.512 0.639 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000419181456 1192833286 /nfs/dbraw/zinc/83/32/86/1192833286.db2.gz BJAOZWJFPUJPQD-QGZVFWFLSA-N 2 0 378.448 0.092 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419184086 1192835286 /nfs/dbraw/zinc/83/52/86/1192835286.db2.gz FNUBVJDJLCSIGF-MRXNPFEDSA-N 2 0 376.501 0.457 20 0 GCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000419198307 1192837193 /nfs/dbraw/zinc/83/71/93/1192837193.db2.gz YXTCPAOIYOALIM-LJQANCHMSA-N 2 0 388.512 0.570 20 0 GCADRP C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000432871939 1192838524 /nfs/dbraw/zinc/83/85/24/1192838524.db2.gz KFITVCYZHMZZRT-UHFFFAOYSA-N 2 0 396.557 0.827 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419198973 1192838765 /nfs/dbraw/zinc/83/87/65/1192838765.db2.gz DDHVVMBLURSULA-PBHICJAKSA-N 2 0 392.500 0.472 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C[NH3+] ZINC000419199777 1192840979 /nfs/dbraw/zinc/84/09/79/1192840979.db2.gz CYIKZWVCHWHCNO-RDJZCZTQSA-N 2 0 388.516 0.035 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)cc2)C[C@@H](C)O1 ZINC000419201200 1192842545 /nfs/dbraw/zinc/84/25/45/1192842545.db2.gz FXHPTEMJZGJXEK-HZPDHXFCSA-N 2 0 388.512 0.910 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893742962 1192848577 /nfs/dbraw/zinc/84/85/77/1192848577.db2.gz NPJHTLDQKMTBGZ-MKXGPGLRSA-N 2 0 380.533 0.605 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000419203912 1192850453 /nfs/dbraw/zinc/85/04/53/1192850453.db2.gz OLGSCFGXWTZMEG-FUHWJXTLSA-N 2 0 376.501 0.589 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893741580 1192847801 /nfs/dbraw/zinc/84/78/01/1192847801.db2.gz SKBDUMDRINLCST-WCIQWLHISA-N 2 0 394.560 0.995 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)C1 ZINC000419204789 1192857551 /nfs/dbraw/zinc/85/75/51/1192857551.db2.gz JEYJDGBMIGLSGY-VQIMIIECSA-N 2 0 388.512 0.721 20 0 GCADRP CC[NH+]1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000893873872 1192870153 /nfs/dbraw/zinc/87/01/53/1192870153.db2.gz RNARCXDRFXQTEK-HZPDHXFCSA-N 2 0 382.549 0.981 20 0 GCADRP C[NH+]1CC[C@@]2(CCN(c3nc(C(N)=O)cc(N4CC[C@@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC000893964770 1192884783 /nfs/dbraw/zinc/88/47/83/1192884783.db2.gz USPLXJJIEKTCHG-NHCUHLMSSA-N 2 0 399.543 0.640 20 0 GCADRP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1CCOC ZINC000410730788 1192896957 /nfs/dbraw/zinc/89/69/57/1192896957.db2.gz NJYNHKPKVMRKAX-FGTMMUONSA-N 2 0 380.533 0.641 20 0 GCADRP C[C@@H]1CN(c2nccc(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)n2)C[C@H](C)[NH+]1CCO ZINC000894081512 1192897010 /nfs/dbraw/zinc/89/70/10/1192897010.db2.gz ZRTORZMWMKISBK-USTZCAOPSA-N 2 0 392.548 0.259 20 0 GCADRP COCC(=O)N1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000051758743 1192906058 /nfs/dbraw/zinc/90/60/58/1192906058.db2.gz WPPLMASYUOOGBB-UHFFFAOYSA-N 2 0 381.521 0.045 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000419213176 1192903637 /nfs/dbraw/zinc/90/36/37/1192903637.db2.gz LCIZBRRHLMWDND-WBVHZDCISA-N 2 0 376.501 0.748 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000419214075 1192907173 /nfs/dbraw/zinc/90/71/73/1192907173.db2.gz MEWWFBRPXUSVRQ-WMZOPIPTSA-N 2 0 376.501 0.877 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000419214073 1192907291 /nfs/dbraw/zinc/90/72/91/1192907291.db2.gz MEWWFBRPXUSVRQ-SJLPKXTDSA-N 2 0 376.501 0.877 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410945736 1192919139 /nfs/dbraw/zinc/91/91/39/1192919139.db2.gz NUMMRYIOYHSUPS-SJORKVTESA-N 2 0 380.533 0.641 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC([NH3+])CC3)cc2)C[C@@H](C)O1 ZINC000419221144 1192922231 /nfs/dbraw/zinc/92/22/31/1192922231.db2.gz VTNULNGVOHPPKA-HZPDHXFCSA-N 2 0 388.512 0.862 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419222542 1192924656 /nfs/dbraw/zinc/92/46/56/1192924656.db2.gz XMSWAVHMEBJBPX-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274515107 1184083026 /nfs/dbraw/zinc/08/30/26/1184083026.db2.gz MFPJTPAVTORHFL-QGZVFWFLSA-N 2 0 389.544 0.871 20 0 GCADRP Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1NC(=O)CC[NH+](C)C ZINC000274519192 1184085132 /nfs/dbraw/zinc/08/51/32/1184085132.db2.gz WKMOTSDMSMGYDL-UHFFFAOYSA-N 2 0 377.489 0.892 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000579716508 1184104107 /nfs/dbraw/zinc/10/41/07/1184104107.db2.gz PFLSVSAKACFIGU-ICSRJNTNSA-N 2 0 389.544 0.581 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000643542112 1184121314 /nfs/dbraw/zinc/12/13/14/1184121314.db2.gz NKPBFSJOYLNPOR-UHFFFAOYSA-N 2 0 376.501 0.925 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654779461 1184138657 /nfs/dbraw/zinc/13/86/57/1184138657.db2.gz VHPBMAIXCDOHAK-UHFFFAOYSA-N 2 0 390.594 0.780 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)CC1 ZINC000643544093 1184153377 /nfs/dbraw/zinc/15/33/77/1184153377.db2.gz HEZRWXHGPFDRFO-HKUYNNGSSA-N 2 0 391.560 0.214 20 0 GCADRP c1cn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c([C@H]2CCC[NH2+]C2)n1 ZINC001167056621 1184218758 /nfs/dbraw/zinc/21/87/58/1184218758.db2.gz OQWQWDVIMFKJEL-INIZCTEOSA-N 2 0 399.499 0.803 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000579807928 1184225105 /nfs/dbraw/zinc/22/51/05/1184225105.db2.gz WLECLGKVSFEYKH-SFHVURJKSA-N 2 0 394.560 0.890 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418839133 1184259139 /nfs/dbraw/zinc/25/91/39/1184259139.db2.gz DBUQYGCHSAMXQN-RTBURBONSA-N 2 0 387.528 0.307 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000579838042 1184311771 /nfs/dbraw/zinc/31/17/71/1184311771.db2.gz FBRWDQOLHWBNAI-INIZCTEOSA-N 2 0 399.499 0.967 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000109182174 1184341312 /nfs/dbraw/zinc/34/13/12/1184341312.db2.gz QSVUKBHRYOKTFL-SFHVURJKSA-N 2 0 376.501 0.896 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000245941375 1184366381 /nfs/dbraw/zinc/36/63/81/1184366381.db2.gz VCTCYENGMSMGQB-MSOLQXFVSA-N 2 0 379.549 0.215 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000579866796 1184408002 /nfs/dbraw/zinc/40/80/02/1184408002.db2.gz HMPFONSSINYFMB-SJLPKXTDSA-N 2 0 390.528 0.885 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000579877021 1184439535 /nfs/dbraw/zinc/43/95/35/1184439535.db2.gz YIXSPHLEMYPOPI-CQSZACIVSA-N 2 0 383.459 0.384 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000579877020 1184439845 /nfs/dbraw/zinc/43/98/45/1184439845.db2.gz YIXSPHLEMYPOPI-AWEZNQCLSA-N 2 0 383.459 0.384 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000671950342 1184465333 /nfs/dbraw/zinc/46/53/33/1184465333.db2.gz BTNNNMSMHFSBMB-UHFFFAOYSA-N 2 0 393.576 0.604 20 0 GCADRP C[N@H+](CCNC(=O)C1CC[NH+](CCNS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000471224012 1184470182 /nfs/dbraw/zinc/47/01/82/1184470182.db2.gz LLJBOPQICANHGY-UHFFFAOYSA-N 2 0 396.557 0.496 20 0 GCADRP C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)cn2)CC1 ZINC000471224150 1184471355 /nfs/dbraw/zinc/47/13/55/1184471355.db2.gz XLIQHUQMNLLSTK-UHFFFAOYSA-N 2 0 387.484 0.800 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc(O)c1 ZINC000275266393 1184570268 /nfs/dbraw/zinc/57/02/68/1184570268.db2.gz IVMDLMDBZXWYLJ-KRWDZBQOSA-N 2 0 376.501 0.997 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000547808315 1184624516 /nfs/dbraw/zinc/62/45/16/1184624516.db2.gz HHMDRCXNXUZGRT-UHFFFAOYSA-N 2 0 394.541 0.619 20 0 GCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1(C)C ZINC000275384343 1184646445 /nfs/dbraw/zinc/64/64/45/1184646445.db2.gz AEMSHIXAFASGDT-JXFKEZNVSA-N 2 0 375.517 0.982 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)Cc1ccccc1 ZINC000642723066 1184734155 /nfs/dbraw/zinc/73/41/55/1184734155.db2.gz VKTZLJPPXUFGEB-YTQUADARSA-N 2 0 390.528 0.630 20 0 GCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2O)CC1 ZINC000970269698 1184768117 /nfs/dbraw/zinc/76/81/17/1184768117.db2.gz FWDCPSVUVDMDNR-DDBAPUKQSA-N 2 0 380.533 0.135 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000656086534 1185023595 /nfs/dbraw/zinc/02/35/95/1185023595.db2.gz BBPDEUQZMITHMP-UHFFFAOYSA-N 2 0 383.581 0.661 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000275792957 1185059652 /nfs/dbraw/zinc/05/96/52/1185059652.db2.gz CJLZMYMYWYZLGD-HNNXBMFYSA-N 2 0 391.520 0.356 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)[C@H](C(C)C)C2)CC1 ZINC000580120071 1185071132 /nfs/dbraw/zinc/07/11/32/1185071132.db2.gz QKLLUGRUIYDIAQ-SFHVURJKSA-N 2 0 382.549 0.791 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000580302525 1185145051 /nfs/dbraw/zinc/14/50/51/1185145051.db2.gz YXIAEPIBVIHASE-KURKYZTESA-N 2 0 392.544 0.546 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000076947864 1185162334 /nfs/dbraw/zinc/16/23/34/1185162334.db2.gz GANJWFANSRGPAD-UHFFFAOYSA-N 2 0 381.565 0.958 20 0 GCADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000580435319 1185230833 /nfs/dbraw/zinc/23/08/33/1185230833.db2.gz UGSVVDMKBXTDHC-SFHVURJKSA-N 2 0 390.528 0.928 20 0 GCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000580445357 1185233599 /nfs/dbraw/zinc/23/35/99/1185233599.db2.gz UVRROIAHXHDCGY-CVEARBPZSA-N 2 0 391.516 0.493 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000580477455 1185245975 /nfs/dbraw/zinc/24/59/75/1185245975.db2.gz OVWHTZRMRRNNPO-MJGOQNOKSA-N 2 0 390.528 0.850 20 0 GCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000580577912 1185279348 /nfs/dbraw/zinc/27/93/48/1185279348.db2.gz CTUIGNUGWJJCJB-LJQANCHMSA-N 2 0 395.592 0.899 20 0 GCADRP O=C(NCCN1CCN(c2ncccn2)CC1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000580631493 1185293509 /nfs/dbraw/zinc/29/35/09/1185293509.db2.gz AKHWKWMXBISESH-LJQANCHMSA-N 2 0 395.511 0.785 20 0 GCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000580709552 1185310608 /nfs/dbraw/zinc/31/06/08/1185310608.db2.gz FNPWCOIOMMMRGW-SFHVURJKSA-N 2 0 397.585 0.956 20 0 GCADRP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)ccn2)CC1 ZINC000580718272 1185312415 /nfs/dbraw/zinc/31/24/15/1185312415.db2.gz SEIFMNXLXILXSS-QGZVFWFLSA-N 2 0 384.488 0.361 20 0 GCADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000580722841 1185315544 /nfs/dbraw/zinc/31/55/44/1185315544.db2.gz HMFOPKADOOWIMP-PMACEKPBSA-N 2 0 384.565 0.192 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000580726419 1185316565 /nfs/dbraw/zinc/31/65/65/1185316565.db2.gz SQUADBVLEGSIBU-QGZVFWFLSA-N 2 0 382.530 0.621 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000580737291 1185320168 /nfs/dbraw/zinc/32/01/68/1185320168.db2.gz PMCAXUQLCVLVFL-RTBURBONSA-N 2 0 394.560 0.813 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656300668 1185368369 /nfs/dbraw/zinc/36/83/69/1185368369.db2.gz SHHXXVFJSJPPKN-QRVBRYPASA-N 2 0 393.576 0.509 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000580882348 1185403610 /nfs/dbraw/zinc/40/36/10/1185403610.db2.gz VADDNDULYJZHRB-KRWDZBQOSA-N 2 0 375.517 0.862 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)c3cn(CCC[NH3+])nn3)CC2)c1 ZINC000580890354 1185405748 /nfs/dbraw/zinc/40/57/48/1185405748.db2.gz KHXKEIUFHGOLNR-UHFFFAOYSA-N 2 0 385.516 0.877 20 0 GCADRP O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000580894505 1185407496 /nfs/dbraw/zinc/40/74/96/1185407496.db2.gz DFIFEFMHKADNRT-HXUWFJFHSA-N 2 0 389.519 0.844 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)N1CC[NH+](C)CC1 ZINC000580906405 1185411319 /nfs/dbraw/zinc/41/13/19/1185411319.db2.gz UDCRFEPYYYRDJR-GOSISDBHSA-N 2 0 381.565 0.364 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656330542 1185427982 /nfs/dbraw/zinc/42/79/82/1185427982.db2.gz PSQZORBZLYFYDF-QXAKKESOSA-N 2 0 392.544 0.737 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337537 1185434244 /nfs/dbraw/zinc/43/42/44/1185434244.db2.gz UNMGXNQVTGSWPL-NCOADZHNSA-N 2 0 382.549 0.837 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354120 1185448122 /nfs/dbraw/zinc/44/81/22/1185448122.db2.gz FCWPMHWQZFYUCU-BZSNNMDCSA-N 2 0 380.533 0.689 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000656355629 1185456094 /nfs/dbraw/zinc/45/60/94/1185456094.db2.gz MDTJAJNWTLATDG-KZNAEPCWSA-N 2 0 378.517 0.300 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656356880 1185457102 /nfs/dbraw/zinc/45/71/02/1185457102.db2.gz HUZHPNAHEBGSSR-OTWHNJEPSA-N 2 0 392.544 0.690 20 0 GCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000656356875 1185457370 /nfs/dbraw/zinc/45/73/70/1185457370.db2.gz HUZHPNAHEBGSSR-CEXWTWQISA-N 2 0 392.544 0.690 20 0 GCADRP COc1cccc2c1OCC[C@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000656360777 1185465707 /nfs/dbraw/zinc/46/57/07/1185465707.db2.gz IKJVQPYFUQMRFD-MRXNPFEDSA-N 2 0 392.500 0.587 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000471637542 1185472274 /nfs/dbraw/zinc/47/22/74/1185472274.db2.gz XGHIPFOCDWQDGA-MOPGFXCFSA-N 2 0 378.517 0.747 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC[C@@H]21 ZINC000581078036 1185487577 /nfs/dbraw/zinc/48/75/77/1185487577.db2.gz RIFQUKZIAUYOMF-LULLPPNCSA-N 2 0 392.544 0.423 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000581082090 1185490585 /nfs/dbraw/zinc/49/05/85/1185490585.db2.gz HFLWHXTUDYRFDN-RYQLBKOJSA-N 2 0 379.549 0.260 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCCO3)cn2)CC1 ZINC000581180136 1185524900 /nfs/dbraw/zinc/52/49/00/1185524900.db2.gz MEMUPMRAWDQAQM-KRWDZBQOSA-N 2 0 376.505 0.401 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC(C[NH+]3CCOCC3)CC1)CC[NH2+]CC2 ZINC000581198165 1185529056 /nfs/dbraw/zinc/52/90/56/1185529056.db2.gz NCLTVIQDHPOWDF-KRWDZBQOSA-N 2 0 392.544 0.548 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000276073533 1185547378 /nfs/dbraw/zinc/54/73/78/1185547378.db2.gz SVRNXCDOXGNEEA-CQSZACIVSA-N 2 0 378.477 0.298 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000276074966 1185548471 /nfs/dbraw/zinc/54/84/71/1185548471.db2.gz SYNWASKJYOQKML-MRXNPFEDSA-N 2 0 394.520 0.343 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581254587 1185557344 /nfs/dbraw/zinc/55/73/44/1185557344.db2.gz NZYROMSZTWKXQH-BBWFWOEESA-N 2 0 379.549 0.105 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)COC4CC[NH+](C)CC4)C[C@H]32)CC[N@@H+]1C ZINC001021801828 1185558275 /nfs/dbraw/zinc/55/82/75/1185558275.db2.gz OYVYKRCHNSOLRE-UKBAYJJMSA-N 2 0 392.544 0.497 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000581324613 1185595522 /nfs/dbraw/zinc/59/55/22/1185595522.db2.gz LAZILCHBMOUBMF-MOPGFXCFSA-N 2 0 393.576 0.463 20 0 GCADRP CCOC1CC(CCNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000558428174 1185608391 /nfs/dbraw/zinc/60/83/91/1185608391.db2.gz SRVMEITYSARZGT-UHFFFAOYSA-N 2 0 382.549 0.792 20 0 GCADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000430569837 1185616976 /nfs/dbraw/zinc/61/69/76/1185616976.db2.gz FXCABOBTHQEXQD-UHFFFAOYSA-N 2 0 394.541 0.862 20 0 GCADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430582320 1185639271 /nfs/dbraw/zinc/63/92/71/1185639271.db2.gz PVFLLSKHUGPENO-OAHLLOKOSA-N 2 0 396.557 0.703 20 0 GCADRP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCCC1 ZINC000891393684 1185681400 /nfs/dbraw/zinc/68/14/00/1185681400.db2.gz BRLISKMVCYLAJV-HZMVEIRTSA-N 2 0 379.505 0.685 20 0 GCADRP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430601647 1185685203 /nfs/dbraw/zinc/68/52/03/1185685203.db2.gz DXWTYDFXJSPTPU-OAHLLOKOSA-N 2 0 380.464 0.450 20 0 GCADRP CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430604607 1185696054 /nfs/dbraw/zinc/69/60/54/1185696054.db2.gz OCOSWUXQOOSELI-HNNXBMFYSA-N 2 0 375.473 0.114 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000581451567 1185697195 /nfs/dbraw/zinc/69/71/95/1185697195.db2.gz IQOCWQRLOHDGSI-KBAYOESNSA-N 2 0 380.533 0.471 20 0 GCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000581511445 1185734720 /nfs/dbraw/zinc/73/47/20/1185734720.db2.gz MEHVTHOTENZZLM-ZWKOTPCHSA-N 2 0 382.549 0.669 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000430610999 1185752371 /nfs/dbraw/zinc/75/23/71/1185752371.db2.gz NBNOWRJVQSLTPA-FUHWJXTLSA-N 2 0 386.496 0.770 20 0 GCADRP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430611706 1185758432 /nfs/dbraw/zinc/75/84/32/1185758432.db2.gz PPSGYXNNZZIGIA-UONOGXRCSA-N 2 0 378.473 0.818 20 0 GCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000533817472 1185767066 /nfs/dbraw/zinc/76/70/66/1185767066.db2.gz UKSOQVKAUDIATE-KNCCTNLNSA-N 2 0 394.585 0.917 20 0 GCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000276381326 1185781435 /nfs/dbraw/zinc/78/14/35/1185781435.db2.gz OHBJFYQTGKVCCO-SFHVURJKSA-N 2 0 375.517 0.829 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1cccc(F)c1 ZINC000430622413 1185802632 /nfs/dbraw/zinc/80/26/32/1185802632.db2.gz FVOQUIXTSWAGRY-MRXNPFEDSA-N 2 0 392.475 0.465 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000430625363 1185808978 /nfs/dbraw/zinc/80/89/78/1185808978.db2.gz KKUIDMIDGBZAQU-SQNIBIBYSA-N 2 0 378.517 0.300 20 0 GCADRP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430629556 1185817158 /nfs/dbraw/zinc/81/71/58/1185817158.db2.gz OPWVBZKOGXJPNT-QGZVFWFLSA-N 2 0 376.476 0.928 20 0 GCADRP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C ZINC000430643210 1185855752 /nfs/dbraw/zinc/85/57/52/1185855752.db2.gz QORQKAGIVZIMCA-HNNXBMFYSA-N 2 0 375.473 0.738 20 0 GCADRP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430645257 1185858986 /nfs/dbraw/zinc/85/89/86/1185858986.db2.gz ATYBUVSLRTYXET-GOSISDBHSA-N 2 0 388.512 0.845 20 0 GCADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000581734416 1185871685 /nfs/dbraw/zinc/87/16/85/1185871685.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 0 384.609 0.931 20 0 GCADRP COCCC1(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000891481745 1185886995 /nfs/dbraw/zinc/88/69/95/1185886995.db2.gz GKKFNBXSYABJPM-INIZCTEOSA-N 2 0 383.537 0.387 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000581819259 1185900244 /nfs/dbraw/zinc/90/02/44/1185900244.db2.gz MFYYFNAFJVEJGA-LJQANCHMSA-N 2 0 387.528 0.309 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891519414 1185903357 /nfs/dbraw/zinc/90/33/57/1185903357.db2.gz XSOJANOQMQNVIZ-VQHPVUNQSA-N 2 0 379.505 0.683 20 0 GCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891566286 1185921019 /nfs/dbraw/zinc/92/10/19/1185921019.db2.gz TZOXBXXSFGOBNU-UXHICEINSA-N 2 0 387.528 0.407 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C ZINC000891567439 1185922655 /nfs/dbraw/zinc/92/26/55/1185922655.db2.gz JSZHVAHXTKLNGQ-XUWVNRHRSA-N 2 0 381.521 0.929 20 0 GCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000891576773 1185925191 /nfs/dbraw/zinc/92/51/91/1185925191.db2.gz UFGROMSYIWTAIJ-AEFFLSMTSA-N 2 0 380.533 0.945 20 0 GCADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665369 1185927798 /nfs/dbraw/zinc/92/77/98/1185927798.db2.gz MQBBUFZYKLKVLB-GDBMZVCRSA-N 2 0 387.484 0.256 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCSC1 ZINC000891640493 1185954172 /nfs/dbraw/zinc/95/41/72/1185954172.db2.gz YMRBOJCLUIOPSS-VWPFQQQWSA-N 2 0 383.518 0.000 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419747498 1185965626 /nfs/dbraw/zinc/96/56/26/1185965626.db2.gz SNFDGOJCJYTFPA-UHFFFAOYSA-N 2 0 395.935 0.646 20 0 GCADRP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891703794 1185986794 /nfs/dbraw/zinc/98/67/94/1185986794.db2.gz HQWBRICEHJXYDM-ZKLCHKPXSA-N 2 0 379.505 0.683 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581971193 1186016948 /nfs/dbraw/zinc/01/69/48/1186016948.db2.gz LYRYUIXQZGHKIR-PKOBYXMFSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000430923410 1186055074 /nfs/dbraw/zinc/05/50/74/1186055074.db2.gz DNRRROMLLMRQAY-OLZOCXBDSA-N 2 0 380.514 0.671 20 0 GCADRP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000933753550 1186061417 /nfs/dbraw/zinc/06/14/17/1186061417.db2.gz UMQMHOUKOQYENG-CGTJXYLNSA-N 2 0 375.517 0.327 20 0 GCADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430968842 1186075014 /nfs/dbraw/zinc/07/50/14/1186075014.db2.gz ZJCPRFIFBSJBCO-CQSZACIVSA-N 2 0 382.530 0.313 20 0 GCADRP O=C(C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CCOCC1 ZINC000159333001 1186084074 /nfs/dbraw/zinc/08/40/74/1186084074.db2.gz LMCROZWCOQIHTJ-UHFFFAOYSA-N 2 0 380.533 0.549 20 0 GCADRP CC(C)(CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCC1 ZINC000891851487 1186092439 /nfs/dbraw/zinc/09/24/39/1186092439.db2.gz NMHRUXJMEIGLKL-OAGGEKHMSA-N 2 0 379.505 0.685 20 0 GCADRP Cc1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)nnn1C1CC[NH2+]CC1 ZINC000431014895 1186102930 /nfs/dbraw/zinc/10/29/30/1186102930.db2.gz LRKUSBDZVCVLIJ-UHFFFAOYSA-N 2 0 398.515 0.588 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000933847424 1186108977 /nfs/dbraw/zinc/10/89/77/1186108977.db2.gz GRIBRIHZLLJUAC-ROUUACIJSA-N 2 0 393.576 0.319 20 0 GCADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000933852477 1186111157 /nfs/dbraw/zinc/11/11/57/1186111157.db2.gz SKPASPUJYSQPGW-UHFFFAOYSA-N 2 0 394.560 0.842 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276840317 1186115437 /nfs/dbraw/zinc/11/54/37/1186115437.db2.gz IRNHMDLHMNNNMS-RDJZCZTQSA-N 2 0 376.505 0.480 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458239237 1186218150 /nfs/dbraw/zinc/21/81/50/1186218150.db2.gz ZBBPPBOJPJJHCD-IAGOWNOFSA-N 2 0 383.537 0.075 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000584295138 1186312785 /nfs/dbraw/zinc/31/27/85/1186312785.db2.gz RZGXOIVNUUGQAI-HNNXBMFYSA-N 2 0 386.504 0.086 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892107444 1186344876 /nfs/dbraw/zinc/34/48/76/1186344876.db2.gz JWVGOQGYYAFEDS-HOTGVXAUSA-N 2 0 385.434 0.836 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000892106997 1186345033 /nfs/dbraw/zinc/34/50/33/1186345033.db2.gz GBQRMNJZVUTZBD-ZBFHGGJFSA-N 2 0 377.455 0.998 20 0 GCADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000277385555 1186357310 /nfs/dbraw/zinc/35/73/10/1186357310.db2.gz YNIQJQWAGIDSIL-KRWDZBQOSA-N 2 0 396.557 0.799 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1C(F)(F)F ZINC000892132665 1186364146 /nfs/dbraw/zinc/36/41/46/1186364146.db2.gz QXLULFXXRFERPA-XSCHDIRWSA-N 2 0 377.455 0.981 20 0 GCADRP Cc1nn(C)c2ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc12 ZINC000130523959 1186364646 /nfs/dbraw/zinc/36/46/46/1186364646.db2.gz BMTWYTPARXWWTH-UHFFFAOYSA-N 2 0 375.477 0.167 20 0 GCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)nn(C)c3N3CCOCC3)C2)CC1 ZINC000119618077 1186379607 /nfs/dbraw/zinc/37/96/07/1186379607.db2.gz BZNOUHYYPYWPMM-GOSISDBHSA-N 2 0 376.549 0.777 20 0 GCADRP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934260845 1186388044 /nfs/dbraw/zinc/38/80/44/1186388044.db2.gz BYBIVWJZEVZJDN-YHINDDMVSA-N 2 0 394.604 0.827 20 0 GCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[N@H+](C)CCO)c2)CC1 ZINC000892217131 1186455934 /nfs/dbraw/zinc/45/59/34/1186455934.db2.gz CCEVYJRWMBIXMO-UHFFFAOYSA-N 2 0 391.516 0.196 20 0 GCADRP CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NCC[N@H+](C)CCO)c2)CC1 ZINC000892219538 1186462827 /nfs/dbraw/zinc/46/28/27/1186462827.db2.gz PMHXXBANNWNPEB-UHFFFAOYSA-N 2 0 390.528 0.940 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000582206790 1186464962 /nfs/dbraw/zinc/46/49/62/1186464962.db2.gz WBHRZCQYJBIECE-JKSUJKDBSA-N 2 0 380.533 0.687 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000582206788 1186465447 /nfs/dbraw/zinc/46/54/47/1186465447.db2.gz WBHRZCQYJBIECE-HOTGVXAUSA-N 2 0 380.533 0.687 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000559665576 1186466236 /nfs/dbraw/zinc/46/62/36/1186466236.db2.gz RVWBGVHXJIDVJC-WBVHZDCISA-N 2 0 376.501 0.842 20 0 GCADRP CN1CCN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000582230722 1186470212 /nfs/dbraw/zinc/47/02/12/1186470212.db2.gz XGHRNKDSQZOUMK-HXUWFJFHSA-N 2 0 388.560 0.479 20 0 GCADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(F)c1 ZINC000892228709 1186473221 /nfs/dbraw/zinc/47/32/21/1186473221.db2.gz IODKXJDBAZZZHS-IMJJTQAJSA-N 2 0 377.420 0.361 20 0 GCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582252696 1186478321 /nfs/dbraw/zinc/47/83/21/1186478321.db2.gz OVUYVUIKQHYVKV-DLBZAZTESA-N 2 0 386.500 0.523 20 0 GCADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582252699 1186478384 /nfs/dbraw/zinc/47/83/84/1186478384.db2.gz OVUYVUIKQHYVKV-SJORKVTESA-N 2 0 386.500 0.523 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000582315903 1186492940 /nfs/dbraw/zinc/49/29/40/1186492940.db2.gz NNHITOURUSDOLL-RTBURBONSA-N 3 0 391.560 0.404 20 0 GCADRP O=C(CN1CCC[C@H](OCCO)C1)NCc1ccccc1CN1CCOCC1 ZINC000548733552 1186501779 /nfs/dbraw/zinc/50/17/79/1186501779.db2.gz WPVAYSZELJGECI-FQEVSTJZSA-N 2 0 391.512 0.608 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000892263023 1186536480 /nfs/dbraw/zinc/53/64/80/1186536480.db2.gz KDSIFFOLTBDNQI-JSGCOSHPSA-N 2 0 393.454 0.756 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000892263021 1186536631 /nfs/dbraw/zinc/53/66/31/1186536631.db2.gz KDSIFFOLTBDNQI-GXTWGEPZSA-N 2 0 393.454 0.756 20 0 GCADRP Cn1cc(C[NH2+]CCOCC[NH+](C)C)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657438603 1186542239 /nfs/dbraw/zinc/54/22/39/1186542239.db2.gz QYFJBWVYQICSKU-UHFFFAOYSA-N 2 0 385.468 0.884 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000125165536 1186549576 /nfs/dbraw/zinc/54/95/76/1186549576.db2.gz OEXPAQFHBCCNOJ-QGZVFWFLSA-N 2 0 390.463 0.941 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000582532602 1186558701 /nfs/dbraw/zinc/55/87/01/1186558701.db2.gz BWHHZNARDRPRRO-MOPGFXCFSA-N 2 0 393.576 0.556 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000888980445 1186564820 /nfs/dbraw/zinc/56/48/20/1186564820.db2.gz BZLHPUHJDWFVNM-UXHICEINSA-N 2 0 390.576 0.940 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000582680706 1186607764 /nfs/dbraw/zinc/60/77/64/1186607764.db2.gz LRECSKAJIOBUDS-ZWKOTPCHSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@@H]2F)[C@@H](O)OC(C)(C)C)C1 ZINC001143446062 1186614755 /nfs/dbraw/zinc/61/47/55/1186614755.db2.gz PIIFPMLGHFUTOK-FNXVAGDRSA-N 2 0 375.485 0.640 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@@H]2F)[C@@H](O)OC(C)(C)C)C1 ZINC001143446054 1186615376 /nfs/dbraw/zinc/61/53/76/1186615376.db2.gz PIIFPMLGHFUTOK-DOGFAARBSA-N 2 0 375.485 0.640 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000582716015 1186623195 /nfs/dbraw/zinc/62/31/95/1186623195.db2.gz UTFKWYBLHZQGCW-IXDOHACOSA-N 2 0 378.517 0.333 20 0 GCADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000079910922 1186717871 /nfs/dbraw/zinc/71/78/71/1186717871.db2.gz QPTPDTYEFDTJIP-UHFFFAOYSA-N 2 0 376.501 0.956 20 0 GCADRP C[N@H+](CCO)C1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000161754053 1186732110 /nfs/dbraw/zinc/73/21/10/1186732110.db2.gz ZANMQYSYZFRHBQ-UHFFFAOYSA-N 2 0 390.532 0.432 20 0 GCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466912159 1186736835 /nfs/dbraw/zinc/73/68/35/1186736835.db2.gz FERKLNDCURFJNL-SJORKVTESA-N 2 0 380.533 0.676 20 0 GCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000121828943 1186744153 /nfs/dbraw/zinc/74/41/53/1186744153.db2.gz WIWVOFROYMQTSJ-NRFANRHFSA-N 2 0 391.560 0.806 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC000126094877 1186752647 /nfs/dbraw/zinc/75/26/47/1186752647.db2.gz KQESKDOZMABMEG-UHFFFAOYSA-N 2 0 378.521 0.964 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000583041578 1186755162 /nfs/dbraw/zinc/75/51/62/1186755162.db2.gz IWVIZRNQFNASQU-MJGOQNOKSA-N 2 0 394.560 0.936 20 0 GCADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892324333 1186757523 /nfs/dbraw/zinc/75/75/23/1186757523.db2.gz SMBVVXNGHDDLOW-UHFFFAOYSA-N 2 0 386.500 0.185 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000583107570 1186771593 /nfs/dbraw/zinc/77/15/93/1186771593.db2.gz YTCOADXWYDSBGB-IBGZPJMESA-N 2 0 390.576 0.934 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000583132648 1186777883 /nfs/dbraw/zinc/77/78/83/1186777883.db2.gz CZKMZKANELEDNE-SFHVURJKSA-N 2 0 375.517 0.671 20 0 GCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569622048 1186787571 /nfs/dbraw/zinc/78/75/71/1186787571.db2.gz FQKYFNSVCZKDNF-AHRSYUTCSA-N 2 0 399.539 0.400 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000583222012 1186800265 /nfs/dbraw/zinc/80/02/65/1186800265.db2.gz SVDRJRZPRTZZAR-XDNAFOTISA-N 2 0 382.549 0.839 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000583252547 1186809019 /nfs/dbraw/zinc/80/90/19/1186809019.db2.gz PPLFZJLUKNQMBN-IRXDYDNUSA-N 2 0 379.509 0.440 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000583252548 1186809114 /nfs/dbraw/zinc/80/91/14/1186809114.db2.gz PPLFZJLUKNQMBN-SJORKVTESA-N 2 0 379.509 0.440 20 0 GCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C2)CC1 ZINC000583257553 1186809407 /nfs/dbraw/zinc/80/94/07/1186809407.db2.gz YHLQVFDOTSWTEC-QZTJIDSGSA-N 2 0 379.549 0.058 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000583313796 1186824366 /nfs/dbraw/zinc/82/43/66/1186824366.db2.gz KDDLMFZPLVUBKA-SFHVURJKSA-N 2 0 381.565 0.319 20 0 GCADRP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262287874 1186846152 /nfs/dbraw/zinc/84/61/52/1186846152.db2.gz ZUZAPBCFAXYYQZ-INIZCTEOSA-N 2 0 391.491 0.592 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000583514798 1186876326 /nfs/dbraw/zinc/87/63/26/1186876326.db2.gz RNDXKKRMJVFPMI-KRWDZBQOSA-N 2 0 381.565 0.319 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892342583 1186882383 /nfs/dbraw/zinc/88/23/83/1186882383.db2.gz KMDQFAXLXBPEMO-LJQANCHMSA-N 2 0 385.512 0.780 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCO1 ZINC000278315911 1186885209 /nfs/dbraw/zinc/88/52/09/1186885209.db2.gz IJPKXMXUCCBXCS-HNNXBMFYSA-N 2 0 386.456 0.823 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000583569407 1186888003 /nfs/dbraw/zinc/88/80/03/1186888003.db2.gz ZGSDVXYNFNPNCA-BHIYHBOVSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000583569409 1186888181 /nfs/dbraw/zinc/88/81/81/1186888181.db2.gz ZGSDVXYNFNPNCA-NZSAHSFTSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158421 1186890952 /nfs/dbraw/zinc/89/09/52/1186890952.db2.gz UQKNNICZTZXOTC-LPHOPBHVSA-N 2 0 398.573 0.634 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)CC1=O ZINC000888990829 1186895640 /nfs/dbraw/zinc/89/56/40/1186895640.db2.gz FXXIRGZUCMPJRO-MSOLQXFVSA-N 2 0 379.549 0.025 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458662825 1186930618 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1187910558 /nfs/dbraw/zinc/91/05/58/1187910558.db2.gz ZXCVMIBITRUDRS-UHFFFAOYSA-N 2 0 377.514 0.461 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000659345055 1187945370 /nfs/dbraw/zinc/94/53/70/1187945370.db2.gz VRMHIKUHLRQYKK-IEBWSBKVSA-N 2 0 393.576 0.602 20 0 GCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344560 1187946656 /nfs/dbraw/zinc/94/66/56/1187946656.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 2 0 379.549 0.166 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000659456311 1187960858 /nfs/dbraw/zinc/96/08/58/1187960858.db2.gz KMEFWQJMGSJISM-UKRRQHHQSA-N 2 0 380.493 0.577 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659455813 1187961181 /nfs/dbraw/zinc/96/11/81/1187961181.db2.gz DOSKKIHKYNSGNT-VQTJNVASSA-N 2 0 393.576 0.814 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC000659466325 1187961841 /nfs/dbraw/zinc/96/18/41/1187961841.db2.gz XPMAVHUCHDPORN-UHFFFAOYSA-N 2 0 392.504 0.723 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659565410 1187971695 /nfs/dbraw/zinc/97/16/95/1187971695.db2.gz IDGLKHHLPZOEHB-HXUWFJFHSA-N 2 0 386.544 0.983 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659588610 1187974120 /nfs/dbraw/zinc/97/41/20/1187974120.db2.gz GRVCVVUHKGSHAJ-QYZOEREBSA-N 2 0 375.492 0.960 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000659627651 1187976972 /nfs/dbraw/zinc/97/69/72/1187976972.db2.gz QEXXODLBBGXNJC-UHFFFAOYSA-N 2 0 399.580 0.977 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659630429 1187978326 /nfs/dbraw/zinc/97/83/26/1187978326.db2.gz IBXRFCKKOXIQDT-UHFFFAOYSA-N 2 0 394.520 0.921 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C)cc1OC ZINC000659673792 1187991708 /nfs/dbraw/zinc/99/17/08/1187991708.db2.gz NRVHJBRFHDSFIL-CQSZACIVSA-N 2 0 380.489 0.618 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659674369 1187994009 /nfs/dbraw/zinc/99/40/09/1187994009.db2.gz GOYLZEWOCRPBER-CYBMUJFWSA-N 2 0 392.504 0.274 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCCCCC1 ZINC000659677267 1187995104 /nfs/dbraw/zinc/99/51/04/1187995104.db2.gz MYYFXKCAXMTYFG-UHFFFAOYSA-N 2 0 378.477 0.028 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000659686994 1187997410 /nfs/dbraw/zinc/99/74/10/1187997410.db2.gz BKLCGZIUWPXRPQ-GOSISDBHSA-N 2 0 388.512 0.781 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000659687684 1187997730 /nfs/dbraw/zinc/99/77/30/1187997730.db2.gz XOFKMYLCKBJQIW-HNNXBMFYSA-N 2 0 376.501 0.748 20 0 GCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659683460 1187998914 /nfs/dbraw/zinc/99/89/14/1187998914.db2.gz ZCVZCWZGHNDAQB-HIFRSBDPSA-N 2 0 398.467 0.209 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000659698400 1187999588 /nfs/dbraw/zinc/99/95/88/1187999588.db2.gz NAPKCJRQDUCQAC-FUHWJXTLSA-N 2 0 375.517 0.206 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000659698731 1188003899 /nfs/dbraw/zinc/00/38/99/1188003899.db2.gz JDGOEBPXIBSQTL-SFHVURJKSA-N 2 0 389.544 0.738 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000659698729 1188004163 /nfs/dbraw/zinc/00/41/63/1188004163.db2.gz JDGOEBPXIBSQTL-GOSISDBHSA-N 2 0 389.544 0.738 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727470 1188010382 /nfs/dbraw/zinc/01/03/82/1188010382.db2.gz GBVGWMCJZNDAGH-LJQANCHMSA-N 2 0 387.528 0.868 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659728487 1188011525 /nfs/dbraw/zinc/01/15/25/1188011525.db2.gz JPSKSUZJJXMSGB-INIZCTEOSA-N 2 0 387.528 0.996 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000376636299 1188012376 /nfs/dbraw/zinc/01/23/76/1188012376.db2.gz GLXUMWVDUZDPCK-QUCCMNQESA-N 2 0 379.593 0.933 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659728108 1188012381 /nfs/dbraw/zinc/01/23/81/1188012381.db2.gz IIEDZMYKNDHDFF-UHFFFAOYSA-N 2 0 387.528 0.868 20 0 GCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659728160 1188012804 /nfs/dbraw/zinc/01/28/04/1188012804.db2.gz VLVYCVGAEAKFOG-UHFFFAOYSA-N 2 0 387.528 0.916 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)C[C@@H]21 ZINC000659726932 1188013938 /nfs/dbraw/zinc/01/39/38/1188013938.db2.gz DDIUGAKOWSBUJV-SLFFLAALSA-N 2 0 399.539 0.996 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000659729928 1188015201 /nfs/dbraw/zinc/01/52/01/1188015201.db2.gz QNSXWDNZNXMBEL-LPHOPBHVSA-N 2 0 387.528 0.853 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000659739413 1188018135 /nfs/dbraw/zinc/01/81/35/1188018135.db2.gz TYFMGLHTTUQSDP-QRQLOZEOSA-N 2 0 392.544 0.737 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000659740191 1188018572 /nfs/dbraw/zinc/01/85/72/1188018572.db2.gz FXGOULAVXQCUDY-WDSOQIARSA-N 2 0 394.560 0.968 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000415314018 1188029619 /nfs/dbraw/zinc/02/96/19/1188029619.db2.gz FTUAUYWYOPYLFP-UHFFFAOYSA-N 2 0 389.500 0.519 20 0 GCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000415323285 1188037783 /nfs/dbraw/zinc/03/77/83/1188037783.db2.gz BATYPQSEBREJAN-CQSZACIVSA-N 2 0 379.892 0.899 20 0 GCADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000415328979 1188041310 /nfs/dbraw/zinc/04/13/10/1188041310.db2.gz MJBDOHQCIHGPFB-KRWDZBQOSA-N 2 0 387.484 0.918 20 0 GCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415349868 1188059137 /nfs/dbraw/zinc/05/91/37/1188059137.db2.gz YBELPSMNPFDARR-MRXNPFEDSA-N 2 0 385.512 0.977 20 0 GCADRP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)C1 ZINC000415358373 1188059808 /nfs/dbraw/zinc/05/98/08/1188059808.db2.gz TXIJMKOBFLGOKQ-HNNXBMFYSA-N 2 0 387.484 0.999 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000415395780 1188071006 /nfs/dbraw/zinc/07/10/06/1188071006.db2.gz OIYCSQJSBWTGJU-GOSISDBHSA-N 2 0 387.528 0.831 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1NC(=O)CC[NH+](C)C ZINC000415425829 1188076163 /nfs/dbraw/zinc/07/61/63/1188076163.db2.gz CWBICMNPLLZWLA-CQSZACIVSA-N 2 0 375.473 0.644 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000415430500 1188078726 /nfs/dbraw/zinc/07/87/26/1188078726.db2.gz RIFJKHAZUXCSFC-HNNXBMFYSA-N 2 0 377.489 0.983 20 0 GCADRP O=C(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)NCC[NH+]1CCCCC1 ZINC000909324052 1188080804 /nfs/dbraw/zinc/08/08/04/1188080804.db2.gz WDXAUZPSYCHCHR-UHFFFAOYSA-N 2 0 380.533 0.740 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH2+]C)cc2)CC1 ZINC000415490417 1188090837 /nfs/dbraw/zinc/09/08/37/1188090837.db2.gz YJLGMPRXKBKORG-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000415517402 1188097310 /nfs/dbraw/zinc/09/73/10/1188097310.db2.gz HKKZNUDLVBKRBJ-AEFFLSMTSA-N 2 0 387.528 0.958 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893011705 1188100053 /nfs/dbraw/zinc/10/00/53/1188100053.db2.gz MDNYKOLEISAPDG-GBESFXJTSA-N 2 0 380.533 0.870 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000415551520 1188104198 /nfs/dbraw/zinc/10/41/98/1188104198.db2.gz DRBMLIOCAVZYCR-KGLIPLIRSA-N 2 0 375.473 0.724 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)[C@@H](C)C[NH2+]1 ZINC000415565975 1188107086 /nfs/dbraw/zinc/10/70/86/1188107086.db2.gz PJHIHQITXXPMMQ-STQMWFEESA-N 2 0 389.456 0.303 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000415574216 1188110087 /nfs/dbraw/zinc/11/00/87/1188110087.db2.gz CZZYAOZJBXNHNL-YSIASYRMSA-N 2 0 399.539 0.958 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000415582878 1188112897 /nfs/dbraw/zinc/11/28/97/1188112897.db2.gz VDDICZBAZBYIHJ-SJLPKXTDSA-N 2 0 387.528 0.958 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893052787 1188121411 /nfs/dbraw/zinc/12/14/11/1188121411.db2.gz HCMIQFBKSPJMPX-LJQANCHMSA-N 2 0 379.549 0.709 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000415647181 1188133047 /nfs/dbraw/zinc/13/30/47/1188133047.db2.gz FHRIRSOQWJKUJS-INIZCTEOSA-N 2 0 396.495 0.806 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000415645195 1188133066 /nfs/dbraw/zinc/13/30/66/1188133066.db2.gz BDLGRSPTDCEZFE-AWEZNQCLSA-N 2 0 375.473 0.903 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)n1 ZINC000415654884 1188134008 /nfs/dbraw/zinc/13/40/08/1188134008.db2.gz JUBCZJBOLJROTK-GOSISDBHSA-N 2 0 394.479 1.353 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000415657570 1188134225 /nfs/dbraw/zinc/13/42/25/1188134225.db2.gz OBUAJWXCSVVOMT-BETUJISGSA-N 2 0 380.876 0.897 20 0 GCADRP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1nc(C(N)=O)cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000893077651 1188138089 /nfs/dbraw/zinc/13/80/89/1188138089.db2.gz BNDXWAVQYVAKMK-LXTVHRRPSA-N 2 0 375.521 0.633 20 0 GCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000415702105 1188143196 /nfs/dbraw/zinc/14/31/96/1188143196.db2.gz COMRJPFHDZQRGK-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP COC[C@]1(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000415706591 1188144997 /nfs/dbraw/zinc/14/49/97/1188144997.db2.gz LEJYCRWIFMXSKM-LJQANCHMSA-N 2 0 378.473 0.450 20 0 GCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1)C1CC1 ZINC000415704983 1188147334 /nfs/dbraw/zinc/14/73/34/1188147334.db2.gz HELWUYWFAHKOCD-FQEVSTJZSA-N 2 0 399.539 0.768 20 0 GCADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415717268 1188148286 /nfs/dbraw/zinc/14/82/86/1188148286.db2.gz XZBGEQZOLITHRT-FQEVSTJZSA-N 2 0 399.539 0.770 20 0 GCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000415725097 1188149661 /nfs/dbraw/zinc/14/96/61/1188149661.db2.gz MBCJCKAWPLSNMN-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N(C)C2C[NH2+]C2)CC1 ZINC000415728769 1188152394 /nfs/dbraw/zinc/15/23/94/1188152394.db2.gz BITUDADPKWBUGT-UHFFFAOYSA-N 2 0 379.892 0.851 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415778185 1188162835 /nfs/dbraw/zinc/16/28/35/1188162835.db2.gz JGAAUPVHAFMHBO-IEBWSBKVSA-N 2 0 385.512 0.583 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472905951 1189372584 /nfs/dbraw/zinc/37/25/84/1189372584.db2.gz JKMSKVRLZLPATC-KRWDZBQOSA-N 2 0 396.580 0.254 20 0 GCADRP C[NH+](C)C[C@H]1CCN(c2cc(C(N)=O)nc(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000893118241 1189372743 /nfs/dbraw/zinc/37/27/43/1189372743.db2.gz CDPXZBHXHBPXMR-HUUCEWRRSA-N 2 0 375.521 0.351 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(c2cc(C(N)=O)nc(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000893118316 1189373091 /nfs/dbraw/zinc/37/30/91/1189373091.db2.gz CDPXZBHXHBPXMR-LSDHHAIUSA-N 2 0 375.521 0.351 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000415823018 1189373623 /nfs/dbraw/zinc/37/36/23/1189373623.db2.gz OKUYBVOSJNJHHF-UHFFFAOYSA-N 2 0 375.473 0.726 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000415837327 1189376108 /nfs/dbraw/zinc/37/61/08/1189376108.db2.gz CMIMELPHXNPLEV-AEFFLSMTSA-N 2 0 387.528 0.816 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415838109 1189376122 /nfs/dbraw/zinc/37/61/22/1189376122.db2.gz RDNODVSTILRUIC-INIZCTEOSA-N 2 0 392.500 0.840 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000415850456 1189381701 /nfs/dbraw/zinc/38/17/01/1189381701.db2.gz GVGFPEICNYBOSN-KRWDZBQOSA-N 2 0 391.516 0.366 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCCO1 ZINC000415858110 1189386730 /nfs/dbraw/zinc/38/67/30/1189386730.db2.gz ITIVIQWZSMWCKL-MRXNPFEDSA-N 2 0 392.525 0.750 20 0 GCADRP CN(CC[NH3+])C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000415858205 1189387120 /nfs/dbraw/zinc/38/71/20/1189387120.db2.gz JABWGQDZMWUYTQ-UHFFFAOYSA-N 2 0 375.473 0.857 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415872997 1189393703 /nfs/dbraw/zinc/39/37/03/1189393703.db2.gz UCXDJAOJPIKUQV-QZTJIDSGSA-N 2 0 385.512 0.440 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000668890933 1189495334 /nfs/dbraw/zinc/49/53/34/1189495334.db2.gz GUKJJJNXMJJVGS-GBESFXJTSA-N 2 0 394.560 0.983 20 0 GCADRP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363832231 1189511033 /nfs/dbraw/zinc/51/10/33/1189511033.db2.gz YKLYYTLPUIUUIU-HXUWFJFHSA-N 2 0 394.608 0.822 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccn1 ZINC000378572133 1189538204 /nfs/dbraw/zinc/53/82/04/1189538204.db2.gz BKHQFJIPTSYLDJ-GOSISDBHSA-N 2 0 375.517 0.874 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000511577741 1189574773 /nfs/dbraw/zinc/57/47/73/1189574773.db2.gz SBTRNYDONYDNLX-FUHWJXTLSA-N 2 0 376.501 0.318 20 0 GCADRP COc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)cc1OC ZINC000416813150 1189586055 /nfs/dbraw/zinc/58/60/55/1189586055.db2.gz MHWQXODZHAHYEA-CVEARBPZSA-N 2 0 380.489 0.984 20 0 GCADRP COc1ccc([C@H](CNC(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)cc1OC ZINC000416825968 1189586648 /nfs/dbraw/zinc/58/66/48/1189586648.db2.gz LVHYLWRSVZRJLQ-INIZCTEOSA-N 2 0 379.505 0.511 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc(F)c1 ZINC000416850444 1189588151 /nfs/dbraw/zinc/58/81/51/1189588151.db2.gz ZOFQRDRYFMGDCF-DOTOQJQBSA-N 2 0 379.480 0.925 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc(F)c1 ZINC000416850449 1189588191 /nfs/dbraw/zinc/58/81/91/1189588191.db2.gz ZOFQRDRYFMGDCF-RDJZCZTQSA-N 2 0 379.480 0.925 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000416881063 1189591486 /nfs/dbraw/zinc/59/14/86/1189591486.db2.gz ZVEAJXXWJONHQE-DLBZAZTESA-N 2 0 383.537 0.372 20 0 GCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584584672 1189593850 /nfs/dbraw/zinc/59/38/50/1189593850.db2.gz CEQZFZNXSNZLSL-MRXNPFEDSA-N 2 0 382.530 0.263 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416944185 1189597794 /nfs/dbraw/zinc/59/77/94/1189597794.db2.gz MJAQTFOJXRZTDI-BVYOLEPJSA-N 2 0 395.548 0.432 20 0 GCADRP CNC(=O)[C@H](NC(=O)CN1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000572713139 1189600072 /nfs/dbraw/zinc/60/00/72/1189600072.db2.gz HASZAACCESMZPG-HXUWFJFHSA-N 2 0 396.495 0.727 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000416949715 1189600350 /nfs/dbraw/zinc/60/03/50/1189600350.db2.gz QQMZPXQFLNZXKF-FGTMMUONSA-N 2 0 395.548 0.339 20 0 GCADRP CNC(=O)[C@@H](NC(=O)CN1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000572713138 1189600361 /nfs/dbraw/zinc/60/03/61/1189600361.db2.gz HASZAACCESMZPG-FQEVSTJZSA-N 2 0 396.495 0.727 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000416978894 1189604178 /nfs/dbraw/zinc/60/41/78/1189604178.db2.gz WHFGBXKOWXGUCT-GOSISDBHSA-N 2 0 375.517 0.816 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000416988279 1189604184 /nfs/dbraw/zinc/60/41/84/1189604184.db2.gz LBURIFGTYBJQPJ-FQEVSTJZSA-N 2 0 388.560 0.527 20 0 GCADRP COC[C@]1(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000416980290 1189604713 /nfs/dbraw/zinc/60/47/13/1189604713.db2.gz FSAMHUKNIIATJB-LJQANCHMSA-N 2 0 376.505 0.401 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000417051076 1189611360 /nfs/dbraw/zinc/61/13/60/1189611360.db2.gz MOGCJKFDQIWVCZ-UHFFFAOYSA-N 2 0 388.560 0.712 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)c1 ZINC000417053337 1189611371 /nfs/dbraw/zinc/61/13/71/1189611371.db2.gz RWZYZFQVHIJBAG-FQEVSTJZSA-N 2 0 388.560 0.710 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417037022 1189611816 /nfs/dbraw/zinc/61/18/16/1189611816.db2.gz TXIBNHCBONOOHW-LJQANCHMSA-N 2 0 387.528 0.931 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000584736699 1189644001 /nfs/dbraw/zinc/64/40/01/1189644001.db2.gz CGWRKKAAUVTUHH-MOPGFXCFSA-N 2 0 388.512 0.462 20 0 GCADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612917596 1189650001 /nfs/dbraw/zinc/65/00/01/1189650001.db2.gz HGVHAAGGENLPHY-JKSUJKDBSA-N 2 0 375.521 0.850 20 0 GCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612918050 1189653179 /nfs/dbraw/zinc/65/31/79/1189653179.db2.gz JOSBERYPSZQWHZ-XHSDSOJGSA-N 2 0 375.521 0.836 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417365626 1189653970 /nfs/dbraw/zinc/65/39/70/1189653970.db2.gz NXZRWDAVFAQLDB-SFHVURJKSA-N 2 0 375.517 0.816 20 0 GCADRP CO[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C[NH3+])C1 ZINC000417371544 1189654514 /nfs/dbraw/zinc/65/45/14/1189654514.db2.gz WKCOOOHSQIDJLE-RTBURBONSA-N 3 0 390.532 0.741 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417369328 1189654769 /nfs/dbraw/zinc/65/47/69/1189654769.db2.gz QUCWRUHLPIFKOL-UHFFFAOYSA-N 3 0 389.548 0.188 20 0 GCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000584770123 1189658085 /nfs/dbraw/zinc/65/80/85/1189658085.db2.gz KIHHXXRUWWTMTI-GOSISDBHSA-N 2 0 375.517 0.246 20 0 GCADRP COCC1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000417419358 1189660190 /nfs/dbraw/zinc/66/01/90/1189660190.db2.gz CUODTLJSWKABAM-MRXNPFEDSA-N 2 0 383.537 0.245 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417429268 1189662804 /nfs/dbraw/zinc/66/28/04/1189662804.db2.gz MSRUIIVKBYJUPB-ROUUACIJSA-N 2 0 379.549 0.960 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000417456364 1189667632 /nfs/dbraw/zinc/66/76/32/1189667632.db2.gz BPZKEGWYJPXULF-UHFFFAOYSA-N 2 0 390.532 0.073 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000584793044 1189669530 /nfs/dbraw/zinc/66/95/30/1189669530.db2.gz GMMKLCCADFEAMQ-RDJZCZTQSA-N 2 0 375.473 0.080 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417514610 1189676829 /nfs/dbraw/zinc/67/68/29/1189676829.db2.gz JSYONGYRPPPCTK-KRWDZBQOSA-N 2 0 375.521 0.902 20 0 GCADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417526092 1189678331 /nfs/dbraw/zinc/67/83/31/1189678331.db2.gz UOZCKNWMPUGDHQ-KRWDZBQOSA-N 2 0 395.548 0.661 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000584852930 1189692584 /nfs/dbraw/zinc/69/25/84/1189692584.db2.gz KLBZBLRCZIOOQP-OALUTQOASA-N 2 0 395.592 0.469 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@@H]1C ZINC000660257035 1189694700 /nfs/dbraw/zinc/69/47/00/1189694700.db2.gz FSDGXUGFXZXDFA-GBESFXJTSA-N 2 0 393.576 0.556 20 0 GCADRP [NH3+][C@H](CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)Cc1ccccc1 ZINC000578986756 1189717758 /nfs/dbraw/zinc/71/77/58/1189717758.db2.gz WSVATIGNANFSFP-WDSOQIARSA-N 2 0 385.512 0.693 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000418168645 1189730506 /nfs/dbraw/zinc/73/05/06/1189730506.db2.gz LQWABXGPGVFSRR-MRXNPFEDSA-N 2 0 382.553 0.042 20 0 GCADRP C[NH2+]CCNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000418248172 1189742423 /nfs/dbraw/zinc/74/24/23/1189742423.db2.gz HXWCTVHAOCHMOM-UHFFFAOYSA-N 2 0 375.517 0.876 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000418287585 1189749191 /nfs/dbraw/zinc/74/91/91/1189749191.db2.gz KSSYRBOFRLCIDX-RBUKOAKNSA-N 2 0 375.517 0.735 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)C2)CC1 ZINC000364332750 1189751078 /nfs/dbraw/zinc/75/10/78/1189751078.db2.gz QKRRLHFFFVKMQF-RTBURBONSA-N 2 0 381.565 0.909 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418295186 1189751384 /nfs/dbraw/zinc/75/13/84/1189751384.db2.gz HOYUYEZNJOSYOH-RBUKOAKNSA-N 2 0 375.517 0.074 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)CC1 ZINC000418303622 1189754770 /nfs/dbraw/zinc/75/47/70/1189754770.db2.gz WBLWKSSYYXFPST-UHFFFAOYSA-N 2 0 380.581 0.482 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418304132 1189755400 /nfs/dbraw/zinc/75/54/00/1189755400.db2.gz XBMIKSWGLRTHFT-RBUKOAKNSA-N 2 0 375.517 0.074 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660403591 1189783473 /nfs/dbraw/zinc/78/34/73/1189783473.db2.gz DENNFCNOHAHMLU-IBGZPJMESA-N 2 0 381.565 0.957 20 0 GCADRP C[C@@H](C(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000652109353 1189880883 /nfs/dbraw/zinc/88/08/83/1189880883.db2.gz IOSPFVDBQFVNPV-ROUUACIJSA-N 3 0 383.581 0.660 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660828916 1189955368 /nfs/dbraw/zinc/95/53/68/1189955368.db2.gz CFFQMMLEBFGFGO-HKUYNNGSSA-N 2 0 381.565 0.813 20 0 GCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900238 1189963650 /nfs/dbraw/zinc/96/36/50/1189963650.db2.gz KRLYUKOEVHYLNK-PXNSSMCTSA-N 2 0 378.517 0.111 20 0 GCADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000662755041 1190021158 /nfs/dbraw/zinc/02/11/58/1190021158.db2.gz CIUCOVLCVYBUDW-OTWHNJEPSA-N 2 0 387.528 0.806 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662757918 1190021728 /nfs/dbraw/zinc/02/17/28/1190021728.db2.gz MNFGRNKCCNEIRI-APWZRJJASA-N 2 0 376.501 0.639 20 0 GCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000662789466 1190030665 /nfs/dbraw/zinc/03/06/65/1190030665.db2.gz BTPKGHNTYQDWDP-CRAIPNDOSA-N 2 0 388.516 0.786 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000563531593 1193721759 /nfs/dbraw/zinc/72/17/59/1193721759.db2.gz HJFQBOIABJBVPC-RTBURBONSA-N 2 0 387.528 0.350 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000563531590 1193721924 /nfs/dbraw/zinc/72/19/24/1193721924.db2.gz HJFQBOIABJBVPC-MOPGFXCFSA-N 2 0 387.528 0.350 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419223892 1193722940 /nfs/dbraw/zinc/72/29/40/1193722940.db2.gz YWMPOGOFFGMSGZ-LPHOPBHVSA-N 2 0 388.512 0.639 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000419226608 1193728269 /nfs/dbraw/zinc/72/82/69/1193728269.db2.gz RBHJPUAMXPAXQS-ZWKOTPCHSA-N 2 0 378.517 0.500 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419228772 1193738574 /nfs/dbraw/zinc/73/85/74/1193738574.db2.gz MRTWVWGMDNQBEX-WMZOPIPTSA-N 2 0 376.501 0.365 20 0 GCADRP O=C(NCC[NH+]1CCC(O)CC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000894110430 1193740821 /nfs/dbraw/zinc/74/08/21/1193740821.db2.gz GRFFWPZKVQSRLK-IBGZPJMESA-N 2 0 376.501 0.509 20 0 GCADRP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000512714103 1193741722 /nfs/dbraw/zinc/74/17/22/1193741722.db2.gz MOUKNRVPWRTVNC-UHFFFAOYSA-N 2 0 392.548 0.455 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419233226 1193743002 /nfs/dbraw/zinc/74/30/02/1193743002.db2.gz VWUVFSRCJQYQIJ-QRQLOZEOSA-N 2 0 388.512 0.508 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419233969 1193744407 /nfs/dbraw/zinc/74/44/07/1193744407.db2.gz XAHLQPOYMJKDOM-HKUYNNGSSA-N 2 0 387.528 0.035 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512736443 1193748372 /nfs/dbraw/zinc/74/83/72/1193748372.db2.gz VBKQEKSWIUMIEF-RDJZCZTQSA-N 2 0 396.557 0.942 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512736442 1193748616 /nfs/dbraw/zinc/74/86/16/1193748616.db2.gz VBKQEKSWIUMIEF-NVXWUHKLSA-N 2 0 396.557 0.942 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000433121213 1193754059 /nfs/dbraw/zinc/75/40/59/1193754059.db2.gz QXICZIMFPZVHIW-UHFFFAOYSA-N 2 0 391.520 0.823 20 0 GCADRP Cc1ccc(S(=O)(=O)NCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433128972 1193759935 /nfs/dbraw/zinc/75/99/35/1193759935.db2.gz MTYIPANKEJYZJC-UHFFFAOYSA-N 2 0 382.530 0.593 20 0 GCADRP CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433154031 1193767385 /nfs/dbraw/zinc/76/73/85/1193767385.db2.gz YJMGJRDKJVFHDH-AWEZNQCLSA-N 2 0 382.530 0.975 20 0 GCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000419275710 1193779506 /nfs/dbraw/zinc/77/95/06/1193779506.db2.gz ZDABASFZVQIJKV-SFHVURJKSA-N 2 0 376.501 0.721 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419294434 1193791857 /nfs/dbraw/zinc/79/18/57/1193791857.db2.gz BRVIVLUFPUMWPB-UONOGXRCSA-N 2 0 379.480 0.608 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419303010 1193797839 /nfs/dbraw/zinc/79/78/39/1193797839.db2.gz RCJUDKQDJJZLCD-LSDHHAIUSA-N 2 0 393.507 0.726 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000263247397 1193814192 /nfs/dbraw/zinc/81/41/92/1193814192.db2.gz NLIGMUWQRWOORL-APWZRJJASA-N 2 0 375.517 0.413 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000419330027 1193822551 /nfs/dbraw/zinc/82/25/51/1193822551.db2.gz FXZQVJIAFCIJHW-KRWDZBQOSA-N 2 0 376.501 0.973 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419338635 1193832207 /nfs/dbraw/zinc/83/22/07/1193832207.db2.gz LSEAREVTOFEYIH-INIZCTEOSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000419342706 1193834408 /nfs/dbraw/zinc/83/44/08/1193834408.db2.gz PXGNJUBKZDIXBY-QGZVFWFLSA-N 2 0 389.544 0.412 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419344040 1193837441 /nfs/dbraw/zinc/83/74/41/1193837441.db2.gz RNQGUZKEUUQXNO-QGZVFWFLSA-N 2 0 387.528 0.261 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000419345628 1193840025 /nfs/dbraw/zinc/84/00/25/1193840025.db2.gz UJQJSKLCMJDYDM-LJQANCHMSA-N 2 0 387.528 0.309 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000419349551 1193844544 /nfs/dbraw/zinc/84/45/44/1193844544.db2.gz YUCMFKPNNBGXKA-UHFFFAOYSA-N 2 0 375.517 0.166 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419348908 1193845800 /nfs/dbraw/zinc/84/58/00/1193845800.db2.gz CIFQHBYGAUXPDW-UHFFFAOYSA-N 3 0 390.532 0.344 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000664175860 1193948335 /nfs/dbraw/zinc/94/83/35/1193948335.db2.gz ROGWFODOZNOMGD-QZTJIDSGSA-N 2 0 395.548 0.470 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664176205 1193950791 /nfs/dbraw/zinc/95/07/91/1193950791.db2.gz SVSJBRAUYSVCOY-LJQANCHMSA-N 2 0 381.565 0.910 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)CC2)CC1 ZINC000433823249 1193950947 /nfs/dbraw/zinc/95/09/47/1193950947.db2.gz NQAYETBRXFEXAZ-LJQANCHMSA-N 2 0 394.608 0.822 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000513455575 1193952919 /nfs/dbraw/zinc/95/29/19/1193952919.db2.gz AMOPHRCIHRUVCV-INIZCTEOSA-N 2 0 382.549 0.650 20 0 GCADRP CCCCN(C(=O)CN1CC[C@H](C[NH3+])C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000647829722 1193954643 /nfs/dbraw/zinc/95/46/43/1193954643.db2.gz QRLVNZHRCNSSKP-CQSZACIVSA-N 2 0 394.520 0.601 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000333485461 1193956251 /nfs/dbraw/zinc/95/62/51/1193956251.db2.gz UADSRBKJNZAIFB-UHFFFAOYSA-N 2 0 377.537 0.936 20 0 GCADRP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261797158 1193963316 /nfs/dbraw/zinc/96/33/16/1193963316.db2.gz IOOJMLYIERQZDN-JQHSSLGASA-N 2 0 378.517 0.347 20 0 GCADRP C[C@@H]1CN(c2ccnc(N3C[C@H](C)[NH+](CCO)C[C@@H]3C)n2)[C@@H](C)C[N@@H+]1CCO ZINC000894234098 1193968304 /nfs/dbraw/zinc/96/83/04/1193968304.db2.gz RWOBENAUYLGVJW-OWSLCNJRSA-N 2 0 392.548 0.259 20 0 GCADRP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)n1 ZINC000894234101 1193968378 /nfs/dbraw/zinc/96/83/78/1193968378.db2.gz RWOBENAUYLGVJW-XMTFNYHQSA-N 2 0 392.548 0.259 20 0 GCADRP C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000664218555 1193970519 /nfs/dbraw/zinc/97/05/19/1193970519.db2.gz FDPNNJIQXUVHLY-MOPGFXCFSA-N 2 0 381.565 0.766 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261807118 1194010817 /nfs/dbraw/zinc/01/08/17/1194010817.db2.gz JGMJRPRGXBFMIN-HKUYNNGSSA-N 3 0 393.576 0.556 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC[NH2+]1 ZINC000419405293 1194021353 /nfs/dbraw/zinc/02/13/53/1194021353.db2.gz UUCNWKIZLOEQPD-KRWDZBQOSA-N 2 0 390.553 0.931 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419419129 1194022299 /nfs/dbraw/zinc/02/22/99/1194022299.db2.gz LVRXITDGRPLVQI-IBGZPJMESA-N 2 0 387.528 0.164 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419421586 1194023236 /nfs/dbraw/zinc/02/32/36/1194023236.db2.gz LPQMNSGXYXHJDY-BPQIPLTHSA-N 2 0 380.533 0.722 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419420459 1194023312 /nfs/dbraw/zinc/02/33/12/1194023312.db2.gz NAPOKKONPBTGPU-PKOBYXMFSA-N 2 0 389.544 0.453 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419421591 1194023333 /nfs/dbraw/zinc/02/33/33/1194023333.db2.gz LPQMNSGXYXHJDY-NJAFHUGGSA-N 2 0 380.533 0.722 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419422190 1194024069 /nfs/dbraw/zinc/02/40/69/1194024069.db2.gz QGWGUTLITPFVSA-LJQANCHMSA-N 2 0 387.528 0.179 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419422187 1194024368 /nfs/dbraw/zinc/02/43/68/1194024368.db2.gz QGWGUTLITPFVSA-IBGZPJMESA-N 2 0 387.528 0.179 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421302 1194024735 /nfs/dbraw/zinc/02/47/35/1194024735.db2.gz OQIGSLAQRDQLJM-QRQLOZEOSA-N 2 0 387.528 0.287 20 0 GCADRP [NH3+]C1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000419425135 1194026610 /nfs/dbraw/zinc/02/66/10/1194026610.db2.gz VDEOLNGTKISFJC-UHFFFAOYSA-N 2 0 387.528 0.701 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427512 1194026916 /nfs/dbraw/zinc/02/69/16/1194026916.db2.gz ZBSIBXOAFLWOPK-SJLPKXTDSA-N 2 0 375.517 0.287 20 0 GCADRP CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419411343 1194029917 /nfs/dbraw/zinc/02/99/17/1194029917.db2.gz HORVYGVZDPXSID-RTBURBONSA-N 2 0 388.512 0.650 20 0 GCADRP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419413043 1194030715 /nfs/dbraw/zinc/03/07/15/1194030715.db2.gz KCLCXDIRUQXLGY-NZSAHSFTSA-N 2 0 390.528 0.754 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419414017 1194031557 /nfs/dbraw/zinc/03/15/57/1194031557.db2.gz DRYBMDVYRKDJCT-RBUKOAKNSA-N 2 0 388.512 0.516 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419415948 1194032631 /nfs/dbraw/zinc/03/26/31/1194032631.db2.gz INRZQKLWXVVDPE-QZTJIDSGSA-N 2 0 387.528 0.572 20 0 GCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000419468069 1194043148 /nfs/dbraw/zinc/04/31/48/1194043148.db2.gz AQFYSPXTAKRAER-BHIYHBOVSA-N 2 0 388.512 0.508 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000419510871 1194046894 /nfs/dbraw/zinc/04/68/94/1194046894.db2.gz WQBPKMAPQCCRLK-UHFFFAOYSA-N 2 0 392.500 0.082 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419507172 1194048453 /nfs/dbraw/zinc/04/84/53/1194048453.db2.gz OCUIHRBXHGWOPX-CGTJXYLNSA-N 2 0 388.512 0.854 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419514627 1194051505 /nfs/dbraw/zinc/05/15/05/1194051505.db2.gz PDUCWKHCMLVIQQ-GOSISDBHSA-N 2 0 389.544 0.724 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000419516857 1194052050 /nfs/dbraw/zinc/05/20/50/1194052050.db2.gz VFTIPEFCGGIODO-UHFFFAOYSA-N 2 0 389.544 0.867 20 0 GCADRP CC(C)(O)CCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419536528 1194054883 /nfs/dbraw/zinc/05/48/83/1194054883.db2.gz FDMCSBGLTNRYGS-UHFFFAOYSA-N 2 0 376.501 0.373 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000419537400 1194055767 /nfs/dbraw/zinc/05/57/67/1194055767.db2.gz NLBRSFXIBRAUEM-AEFFLSMTSA-N 2 0 376.501 0.633 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000419544761 1194056968 /nfs/dbraw/zinc/05/69/68/1194056968.db2.gz LJRSNFOOYWNPBO-USXIJHARSA-N 2 0 382.549 0.824 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419549314 1194057304 /nfs/dbraw/zinc/05/73/04/1194057304.db2.gz VLFCHEUAGNZLCW-SJLPKXTDSA-N 2 0 376.501 0.633 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000419547325 1194057636 /nfs/dbraw/zinc/05/76/36/1194057636.db2.gz RJHFSSQKIIPNLX-QYZOEREBSA-N 2 0 388.512 0.633 20 0 GCADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419556894 1194058507 /nfs/dbraw/zinc/05/85/07/1194058507.db2.gz LCSJODKWPAQBQI-OAGGEKHMSA-N 2 0 393.557 0.989 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCSC1 ZINC000419577797 1194059737 /nfs/dbraw/zinc/05/97/37/1194059737.db2.gz FAEQBLLHQWXAPS-FCEWJHQRSA-N 2 0 394.516 0.632 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCSC1 ZINC000419577734 1194059968 /nfs/dbraw/zinc/05/99/68/1194059968.db2.gz DWGLSLQSTUFILU-FCEWJHQRSA-N 2 0 398.573 0.285 20 0 GCADRP C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C(=O)NCC[NH3+])cc2)C[C@H]1C ZINC000419583388 1194060938 /nfs/dbraw/zinc/06/09/38/1194060938.db2.gz DCAWVJMIGPBLRM-IYBDPMFKSA-N 2 0 376.501 0.387 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000419597735 1194068312 /nfs/dbraw/zinc/06/83/12/1194068312.db2.gz HGQAAMQQAIKXDH-IYBDPMFKSA-N 2 0 388.512 0.468 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000419657812 1194074740 /nfs/dbraw/zinc/07/47/40/1194074740.db2.gz KFYLRPZDWVRTQO-WMZOPIPTSA-N 2 0 390.528 0.729 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000419657323 1194075104 /nfs/dbraw/zinc/07/51/04/1194075104.db2.gz JPXUCBTZQFJQJM-HXUWFJFHSA-N 2 0 376.501 0.483 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000419650978 1194076876 /nfs/dbraw/zinc/07/68/76/1194076876.db2.gz DDOQJCRTIHIWKX-QRQLOZEOSA-N 2 0 388.512 0.732 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000419650793 1194076923 /nfs/dbraw/zinc/07/69/23/1194076923.db2.gz CWYNXUMRQZOGPH-HOTGVXAUSA-N 2 0 376.501 0.842 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419663781 1194077387 /nfs/dbraw/zinc/07/73/87/1194077387.db2.gz QPWLLHDCHPOJOX-MJGOQNOKSA-N 2 0 387.528 0.177 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000419661720 1194077410 /nfs/dbraw/zinc/07/74/10/1194077410.db2.gz MYBWENJKJUNIRR-KRWDZBQOSA-N 2 0 376.501 0.701 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000419663030 1194077707 /nfs/dbraw/zinc/07/77/07/1194077707.db2.gz JBZIBELVRXVQKW-INIZCTEOSA-N 2 0 395.548 0.071 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419666310 1194078860 /nfs/dbraw/zinc/07/88/60/1194078860.db2.gz VZMZPFUTMXPHNG-BHIYHBOVSA-N 2 0 388.512 0.650 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000419667831 1194078906 /nfs/dbraw/zinc/07/89/06/1194078906.db2.gz SUVIKVOKNUALKP-MSOLQXFVSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000419660993 1194082341 /nfs/dbraw/zinc/08/23/41/1194082341.db2.gz LWVVBLNOKAXYRN-WMZOPIPTSA-N 2 0 390.528 0.790 20 0 GCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419689552 1194085614 /nfs/dbraw/zinc/08/56/14/1194085614.db2.gz JEMLLSOJUVEITP-UHFFFAOYSA-N 2 0 380.558 0.890 20 0 GCADRP COc1cc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)ccc1OCC[NH+](C)C ZINC000419693437 1194086210 /nfs/dbraw/zinc/08/62/10/1194086210.db2.gz NKUWFONLARKHNN-UHFFFAOYSA-N 2 0 378.473 0.738 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419694156 1194086369 /nfs/dbraw/zinc/08/63/69/1194086369.db2.gz ITQRBDPGQNUEAJ-QGZVFWFLSA-N 2 0 382.549 0.970 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000419695108 1194086669 /nfs/dbraw/zinc/08/66/69/1194086669.db2.gz RINYSIWFZWRIRT-HZPDHXFCSA-N 2 0 398.573 0.429 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419725636 1194088116 /nfs/dbraw/zinc/08/81/16/1194088116.db2.gz SQQJGPYXHXUDKB-MAUKXSAKSA-N 2 0 388.512 0.996 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419720939 1194092935 /nfs/dbraw/zinc/09/29/35/1194092935.db2.gz GIANKXJXPOMTCN-QZTJIDSGSA-N 2 0 376.501 0.715 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCCOC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000419740748 1194094242 /nfs/dbraw/zinc/09/42/42/1194094242.db2.gz YABHJQYBKMKLPF-UHFFFAOYSA-N 2 0 398.454 0.842 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@H](C)[NH2+]1 ZINC000419742291 1194094691 /nfs/dbraw/zinc/09/46/91/1194094691.db2.gz DSTXOACKJVIOJL-HOTGVXAUSA-N 2 0 388.512 0.468 20 0 GCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419743650 1194095233 /nfs/dbraw/zinc/09/52/33/1194095233.db2.gz LWZKDDQBTUYGCB-MRXNPFEDSA-N 2 0 393.919 0.528 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CCCC2)CC1 ZINC000419753586 1194097679 /nfs/dbraw/zinc/09/76/79/1194097679.db2.gz NYWUCDGXVVUFMQ-DLBZAZTESA-N 2 0 394.560 0.970 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)[C@@H](C)C[NH2+]1 ZINC000419753915 1194097961 /nfs/dbraw/zinc/09/79/61/1194097961.db2.gz ZERTVIBCYGRZDL-CVEARBPZSA-N 2 0 388.512 0.468 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419758244 1194098289 /nfs/dbraw/zinc/09/82/89/1194098289.db2.gz JRDKZIMUUNYDJR-SOLBZPMBSA-N 2 0 376.476 0.878 20 0 GCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000419758530 1194099280 /nfs/dbraw/zinc/09/92/80/1194099280.db2.gz JQGBGFRPWPOROH-LJQANCHMSA-N 2 0 390.528 0.747 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000419737926 1194099474 /nfs/dbraw/zinc/09/94/74/1194099474.db2.gz YJUGPAOBEJFLDA-QZTJIDSGSA-N 2 0 376.501 0.763 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NCC1CC[NH+](CCO)CC1)c1ccc2ccccc2c1 ZINC000419765892 1194101409 /nfs/dbraw/zinc/10/14/09/1194101409.db2.gz RHYCMBVHVUWJKG-FQEVSTJZSA-N 2 0 398.507 0.776 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419768631 1194102020 /nfs/dbraw/zinc/10/20/20/1194102020.db2.gz CTUMLGVTUUTLHO-HZPDHXFCSA-N 2 0 391.520 0.137 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419768629 1194102275 /nfs/dbraw/zinc/10/22/75/1194102275.db2.gz CTUMLGVTUUTLHO-HOTGVXAUSA-N 2 0 391.520 0.137 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000419772725 1194103011 /nfs/dbraw/zinc/10/30/11/1194103011.db2.gz ZCCNWGRKAJCPSX-MOPGFXCFSA-N 2 0 388.512 0.589 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419800495 1194106182 /nfs/dbraw/zinc/10/61/82/1194106182.db2.gz AKDPTMLUQJLDDE-QZTJIDSGSA-N 2 0 390.484 0.134 20 0 GCADRP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000419846347 1194113917 /nfs/dbraw/zinc/11/39/17/1194113917.db2.gz HDTODMHKWWJITC-GOSISDBHSA-N 2 0 383.452 0.752 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419850362 1194115360 /nfs/dbraw/zinc/11/53/60/1194115360.db2.gz FXLBGBJTNNPMGJ-IEBWSBKVSA-N 2 0 387.528 0.177 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419834490 1194116955 /nfs/dbraw/zinc/11/69/55/1194116955.db2.gz SGDIVSJLNAJYFK-UHFFFAOYSA-N 2 0 391.516 0.131 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419854173 1194121488 /nfs/dbraw/zinc/12/14/88/1194121488.db2.gz BIGMBBFHHSGRFD-DAYGRLMNSA-N 2 0 380.533 0.578 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419860291 1194123386 /nfs/dbraw/zinc/12/33/86/1194123386.db2.gz BSXOWWBGGBWDNB-UHFFFAOYSA-N 2 0 393.507 0.127 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419862056 1194124435 /nfs/dbraw/zinc/12/44/35/1194124435.db2.gz CKTDLNKDDMHAOK-OQSMONGASA-N 2 0 379.549 0.390 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419862059 1194124817 /nfs/dbraw/zinc/12/48/17/1194124817.db2.gz CKTDLNKDDMHAOK-VYMRPNJYSA-N 2 0 379.549 0.390 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863710 1194125677 /nfs/dbraw/zinc/12/56/77/1194125677.db2.gz IBGFZKPUSUGMKU-IEBWSBKVSA-N 2 0 387.528 0.035 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000419874176 1194129095 /nfs/dbraw/zinc/12/90/95/1194129095.db2.gz NHBVIPZOJSFBBN-WDSOQIARSA-N 2 0 386.496 0.564 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419878241 1194130101 /nfs/dbraw/zinc/13/01/01/1194130101.db2.gz FZPYTLOIQQMANF-NTDBWNAOSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419877055 1194130306 /nfs/dbraw/zinc/13/03/06/1194130306.db2.gz WLWLYOPRHJWJEO-OALUTQOASA-N 2 0 393.576 0.511 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCCCCC1 ZINC000419880010 1194131359 /nfs/dbraw/zinc/13/13/59/1194131359.db2.gz ZPIJSEVUQXZSSK-GOSISDBHSA-N 2 0 381.565 0.415 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419886110 1194132853 /nfs/dbraw/zinc/13/28/53/1194132853.db2.gz KLHMQXKFLSMTPT-AKHDSKFASA-N 2 0 393.576 0.508 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419884514 1194133000 /nfs/dbraw/zinc/13/30/00/1194133000.db2.gz NZIJOBUAEVSBCB-GOSISDBHSA-N 2 0 387.528 0.131 20 0 GCADRP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419894833 1194135184 /nfs/dbraw/zinc/13/51/84/1194135184.db2.gz RJCVWVRMBZTPJP-UHOSZYNNSA-N 2 0 393.576 0.650 20 0 GCADRP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419894827 1194135216 /nfs/dbraw/zinc/13/52/16/1194135216.db2.gz RJCVWVRMBZTPJP-QRQLOZEOSA-N 2 0 393.576 0.650 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419896986 1194135922 /nfs/dbraw/zinc/13/59/22/1194135922.db2.gz VEJHSLSZXOOMQJ-ROUUACIJSA-N 2 0 381.565 0.508 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419898465 1194136672 /nfs/dbraw/zinc/13/66/72/1194136672.db2.gz QYFPWGNVJOXHRH-ROUUACIJSA-N 2 0 393.576 0.508 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000419908126 1194140859 /nfs/dbraw/zinc/14/08/59/1194140859.db2.gz YFESZVYUAHEDPP-RBUKOAKNSA-N 2 0 388.512 0.810 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419907475 1194141535 /nfs/dbraw/zinc/14/15/35/1194141535.db2.gz GBJUMGXCKAVWED-IAGOWNOFSA-N 2 0 382.549 0.840 20 0 GCADRP CCCn1cc(CN2CCCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2)cn1 ZINC000419956156 1194144026 /nfs/dbraw/zinc/14/40/26/1194144026.db2.gz SGGTWRCOHNVDKY-MRXNPFEDSA-N 2 0 378.521 0.299 20 0 GCADRP CCCn1cc(CN2CCCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2)cn1 ZINC000419956153 1194144307 /nfs/dbraw/zinc/14/43/07/1194144307.db2.gz SGGTWRCOHNVDKY-INIZCTEOSA-N 2 0 378.521 0.299 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419938354 1194145452 /nfs/dbraw/zinc/14/54/52/1194145452.db2.gz PJMNGZLZQFDBTF-JENIJYKNSA-N 2 0 394.560 0.983 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000419965841 1194149109 /nfs/dbraw/zinc/14/91/09/1194149109.db2.gz KJSDYPRZJIQHBY-NZSAHSFTSA-N 2 0 393.576 0.495 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000419973077 1194150184 /nfs/dbraw/zinc/15/01/84/1194150184.db2.gz FUYMFFIIRNWTKH-WMZOPIPTSA-N 2 0 380.533 0.581 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000419978804 1194151479 /nfs/dbraw/zinc/15/14/79/1194151479.db2.gz OPYQJMNAQFBWAP-SFHVURJKSA-N 2 0 380.533 0.581 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000420001824 1194155733 /nfs/dbraw/zinc/15/57/33/1194155733.db2.gz QKCBBBKEJJQIHQ-SJORKVTESA-N 2 0 379.549 0.119 20 0 GCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420025333 1194158878 /nfs/dbraw/zinc/15/88/78/1194158878.db2.gz ZECCZUXHGYBCJP-AEFFLSMTSA-N 2 0 380.533 0.724 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420027708 1194159468 /nfs/dbraw/zinc/15/94/68/1194159468.db2.gz DHSITTOJVJXOMP-WBVHZDCISA-N 2 0 398.548 0.565 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000420011877 1194161580 /nfs/dbraw/zinc/16/15/80/1194161580.db2.gz HFNUGFCGLPMXEH-MJGOQNOKSA-N 2 0 393.576 0.637 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420041647 1194166970 /nfs/dbraw/zinc/16/69/70/1194166970.db2.gz PYNRTECQAODNMP-RHSMWYFYSA-N 2 0 394.491 0.945 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420044042 1194167203 /nfs/dbraw/zinc/16/72/03/1194167203.db2.gz OZLPTOVYWODBGB-UKBAYJJMSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420074149 1194172728 /nfs/dbraw/zinc/17/27/28/1194172728.db2.gz QCZYQSGXSXVCPU-ZHALLVOQSA-N 2 0 393.576 0.637 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)c1 ZINC000420074933 1194173209 /nfs/dbraw/zinc/17/32/09/1194173209.db2.gz RKHVRIPYYGHVNE-INIZCTEOSA-N 2 0 375.473 0.373 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000420083820 1194175117 /nfs/dbraw/zinc/17/51/17/1194175117.db2.gz UNYUNLIVNSMZIA-IRXDYDNUSA-N 2 0 381.565 0.637 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420097681 1194177243 /nfs/dbraw/zinc/17/72/43/1194177243.db2.gz IGWORNXUAQLBQW-HNNXBMFYSA-N 2 0 386.496 0.618 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420102538 1194178156 /nfs/dbraw/zinc/17/81/56/1194178156.db2.gz PWSXKZUAYNOORS-NRFANRHFSA-N 2 0 390.528 0.716 20 0 GCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000420103737 1194179172 /nfs/dbraw/zinc/17/91/72/1194179172.db2.gz RQPLEIRKZHILNF-JKIFEVAISA-N 2 0 380.439 0.689 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420114100 1194182565 /nfs/dbraw/zinc/18/25/65/1194182565.db2.gz FPTJGXVGXKETNX-ZJPYXAASSA-N 2 0 379.549 0.260 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420114097 1194182638 /nfs/dbraw/zinc/18/26/38/1194182638.db2.gz FPTJGXVGXKETNX-VSZNYVQBSA-N 2 0 379.549 0.260 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000420133995 1194184058 /nfs/dbraw/zinc/18/40/58/1194184058.db2.gz DPILEYPXLWBUDG-IAGOWNOFSA-N 2 0 392.544 0.760 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420137259 1194184885 /nfs/dbraw/zinc/18/48/85/1194184885.db2.gz KQWQYXHLMZTILE-UHFFFAOYSA-N 2 0 380.439 0.891 20 0 GCADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000420114675 1194185472 /nfs/dbraw/zinc/18/54/72/1194185472.db2.gz GATLVXYMNZCYBR-FUHWJXTLSA-N 2 0 388.512 0.893 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCN1C1CC[NH+](C)CC1 ZINC000420125971 1194188914 /nfs/dbraw/zinc/18/89/14/1194188914.db2.gz RFEVFTKROHLJIP-INIZCTEOSA-N 2 0 379.549 0.119 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420160738 1194191401 /nfs/dbraw/zinc/19/14/01/1194191401.db2.gz VICDYFIBZLWRMO-BHIYHBOVSA-N 2 0 395.592 0.896 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)CC1 ZINC000420163471 1194191913 /nfs/dbraw/zinc/19/19/13/1194191913.db2.gz KHMKQONQZAYVJT-UHFFFAOYSA-N 2 0 391.560 0.429 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000420149628 1194193968 /nfs/dbraw/zinc/19/39/68/1194193968.db2.gz VWQIYGMHLJUMRG-KRWDZBQOSA-N 2 0 381.565 0.637 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420154916 1194195129 /nfs/dbraw/zinc/19/51/29/1194195129.db2.gz CPRPQTRMQXPJSV-NVXWUHKLSA-N 2 0 382.549 0.432 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420177120 1194195516 /nfs/dbraw/zinc/19/55/16/1194195516.db2.gz RNEJPNKEWLPTRL-DLBZAZTESA-N 2 0 382.549 0.840 20 0 GCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420185676 1194198230 /nfs/dbraw/zinc/19/82/30/1194198230.db2.gz KHBSBLGXQFNKMH-GOSISDBHSA-N 2 0 376.501 0.591 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CCO1 ZINC000420164444 1194199140 /nfs/dbraw/zinc/19/91/40/1194199140.db2.gz LYPVRBYDMBLUEP-NVXWUHKLSA-N 2 0 380.533 0.593 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000420169231 1194200110 /nfs/dbraw/zinc/20/01/10/1194200110.db2.gz LWJLBVCQJYWSJD-SFHVURJKSA-N 2 0 393.576 0.367 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420172110 1194200669 /nfs/dbraw/zinc/20/06/69/1194200669.db2.gz SYBAQWYLXPPYRY-YRISNDGFSA-N 2 0 388.512 0.339 20 0 GCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420198994 1194202516 /nfs/dbraw/zinc/20/25/16/1194202516.db2.gz MYRIHKUXCMUVJN-RBUKOAKNSA-N 2 0 388.512 0.462 20 0 GCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420199049 1194203116 /nfs/dbraw/zinc/20/31/16/1194203116.db2.gz NAWVAADXUHIQDN-GOSISDBHSA-N 2 0 376.501 0.462 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@H]1CO ZINC000420200885 1194203490 /nfs/dbraw/zinc/20/34/90/1194203490.db2.gz GUHZWWRDEGKHAA-AEFFLSMTSA-N 2 0 388.512 0.183 20 0 GCADRP CCN1CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000420202781 1194204077 /nfs/dbraw/zinc/20/40/77/1194204077.db2.gz JWDFJJVAZPZJCJ-UHFFFAOYSA-N 2 0 387.528 0.260 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1)CC1CC1 ZINC000420187764 1194206311 /nfs/dbraw/zinc/20/63/11/1194206311.db2.gz BXLRIFQAAVKNFQ-SFHVURJKSA-N 2 0 380.533 0.452 20 0 GCADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH2+][C@H](C)c1ccccc1 ZINC000420187774 1194206465 /nfs/dbraw/zinc/20/64/65/1194206465.db2.gz BXYSYRYXAGWCJH-QRQLOZEOSA-N 2 0 390.528 0.973 20 0 GCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000420189192 1194206603 /nfs/dbraw/zinc/20/66/03/1194206603.db2.gz NSRDMKCNBFXGDO-ACBHZAAOSA-N 2 0 394.560 0.840 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420223060 1194210073 /nfs/dbraw/zinc/21/00/73/1194210073.db2.gz UCWHDTRHRKGQHM-INIZCTEOSA-N 2 0 380.464 0.211 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420222850 1194210584 /nfs/dbraw/zinc/21/05/84/1194210584.db2.gz TZMKSTNCLVRTIQ-FGTMMUONSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1COCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420206789 1194211069 /nfs/dbraw/zinc/21/10/69/1194211069.db2.gz PRJJRXURKPGAMD-KRWDZBQOSA-N 2 0 388.512 0.591 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420208361 1194211679 /nfs/dbraw/zinc/21/16/79/1194211679.db2.gz XYZOXVXYLQJNDA-GOSISDBHSA-N 2 0 376.501 0.114 20 0 GCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000420213134 1194213304 /nfs/dbraw/zinc/21/33/04/1194213304.db2.gz YLRZEYFENOYRQN-DAWZGUTISA-N 2 0 380.533 0.450 20 0 GCADRP CO[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420212097 1194213645 /nfs/dbraw/zinc/21/36/45/1194213645.db2.gz WPRLIADYBPITNO-GOSISDBHSA-N 2 0 388.512 0.734 20 0 GCADRP C[C@]1(O)CCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420213964 1194214098 /nfs/dbraw/zinc/21/40/98/1194214098.db2.gz ZLDUVLCFMHCMHZ-FQEVSTJZSA-N 2 0 388.512 0.470 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCCO1 ZINC000501619565 1194214660 /nfs/dbraw/zinc/21/46/60/1194214660.db2.gz CCCAJQWVROXVJI-PKOBYXMFSA-N 2 0 394.560 0.984 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000501634511 1194216162 /nfs/dbraw/zinc/21/61/62/1194216162.db2.gz AOUKBRUBLYWBPA-MJGOQNOKSA-N 2 0 392.544 0.690 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501634551 1194216275 /nfs/dbraw/zinc/21/62/75/1194216275.db2.gz DNJMGCNNQCBWMZ-ZWKOTPCHSA-N 2 0 394.560 0.794 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000501648650 1194219209 /nfs/dbraw/zinc/21/92/09/1194219209.db2.gz YQJGKCDMNHAXSM-HKUYNNGSSA-N 2 0 392.544 0.690 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000501648641 1194219555 /nfs/dbraw/zinc/21/95/55/1194219555.db2.gz YOWFPGHLHJGSHO-ROUUACIJSA-N 2 0 392.544 0.548 20 0 GCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420381337 1194225023 /nfs/dbraw/zinc/22/50/23/1194225023.db2.gz OUHQYBKZKKDITA-RTXFEEFZSA-N 2 0 380.411 0.981 20 0 GCADRP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406778 1194228448 /nfs/dbraw/zinc/22/84/48/1194228448.db2.gz SCMHEAQTAPNBSP-IWUURBKTSA-N 2 0 378.517 0.955 20 0 GCADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000501807514 1194230796 /nfs/dbraw/zinc/23/07/96/1194230796.db2.gz XWKUPEDIJHYVRI-GOSISDBHSA-N 2 0 382.549 0.781 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000420459242 1194231347 /nfs/dbraw/zinc/23/13/47/1194231347.db2.gz QNBBUCJZOUQWLX-UHFFFAOYSA-N 2 0 396.435 0.667 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652727396 1194362688 /nfs/dbraw/zinc/36/26/88/1194362688.db2.gz POKIRYIEQKRMMS-WNRNVDISSA-N 2 0 380.533 0.532 20 0 GCADRP CC[NH+](CC(=O)N1CCC(O)(CNC(=O)C[N@@H+](CC)C2CC2)CC1)C1CC1 ZINC000421894500 1194371175 /nfs/dbraw/zinc/37/11/75/1194371175.db2.gz WVIWLXBLWNJCJU-UHFFFAOYSA-N 2 0 380.533 0.425 20 0 GCADRP C[C@H]([NH2+]CC1(CO)COC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000271576843 1194398287 /nfs/dbraw/zinc/39/82/87/1194398287.db2.gz ZOUWUWPZNCQAEZ-HNNXBMFYSA-N 2 0 385.530 0.576 20 0 GCADRP CC(C)(C)[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(N)=O ZINC000271798934 1194413334 /nfs/dbraw/zinc/41/33/34/1194413334.db2.gz OSDRCXHNSFGURJ-INIZCTEOSA-N 2 0 376.505 0.793 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652728806 1194468742 /nfs/dbraw/zinc/46/87/42/1194468742.db2.gz BEEBBOYTJXLUCO-BZSNNMDCSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@H]([NH2+]CCCOCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000272602561 1194477404 /nfs/dbraw/zinc/47/74/04/1194477404.db2.gz UOYZTEHEBGEPNT-INIZCTEOSA-N 2 0 387.546 0.966 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000273071785 1194536678 /nfs/dbraw/zinc/53/66/78/1194536678.db2.gz ZYVXUNCVLBQDKC-GOSISDBHSA-N 2 0 376.501 0.509 20 0 GCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000273149975 1194543379 /nfs/dbraw/zinc/54/33/79/1194543379.db2.gz YRQAOYWRWRJVGI-GOSISDBHSA-N 3 0 375.517 0.678 20 0 GCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422283266 1194596707 /nfs/dbraw/zinc/59/67/07/1194596707.db2.gz MNDFKTFQXQKKDD-UHFFFAOYSA-N 2 0 395.592 0.853 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000414654826 1194622739 /nfs/dbraw/zinc/62/27/39/1194622739.db2.gz CPJWPKMTXNJGKP-QGZVFWFLSA-N 2 0 378.473 0.436 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000422393651 1194634307 /nfs/dbraw/zinc/63/43/07/1194634307.db2.gz FLRRHXLYSVPVRO-INIZCTEOSA-N 2 0 377.489 0.191 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000414658023 1194641069 /nfs/dbraw/zinc/64/10/69/1194641069.db2.gz IUYSEYSMAOHYRE-KRWDZBQOSA-N 2 0 390.484 0.580 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOCC1CCCC1 ZINC000422468340 1194646427 /nfs/dbraw/zinc/64/64/27/1194646427.db2.gz ZCFFAXHTXDCLSG-UHFFFAOYSA-N 2 0 382.549 0.794 20 0 GCADRP CCC[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCN1CCOC ZINC000422628865 1194678291 /nfs/dbraw/zinc/67/82/91/1194678291.db2.gz VNFAKAKCOWDZHO-DAWZGUTISA-N 2 0 382.549 0.935 20 0 GCADRP C[NH+]1C[C@@H]2CCCN(c3nc(C(N)=O)cc(N4CCC[C@H]5C[N@@H+](C)C[C@H]54)n3)[C@@H]2C1 ZINC000894274752 1194693432 /nfs/dbraw/zinc/69/34/32/1194693432.db2.gz BFRSIWFZYQZGPI-CWLKWCNXSA-N 2 0 399.543 0.636 20 0 GCADRP CCN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423060848 1194722969 /nfs/dbraw/zinc/72/29/69/1194722969.db2.gz PJDDTZNRYOSYGG-MOPGFXCFSA-N 2 0 388.512 0.686 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423093390 1194726902 /nfs/dbraw/zinc/72/69/02/1194726902.db2.gz HIBBCPZRIYJBSV-WBVHZDCISA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423101581 1194727379 /nfs/dbraw/zinc/72/73/79/1194727379.db2.gz WAOKPUOLJFSNRF-WMZOPIPTSA-N 2 0 376.476 0.926 20 0 GCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423125421 1194729374 /nfs/dbraw/zinc/72/93/74/1194729374.db2.gz IBWYLUQTLHPGOX-SFHVURJKSA-N 2 0 381.565 0.319 20 0 GCADRP CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423142714 1194733430 /nfs/dbraw/zinc/73/34/30/1194733430.db2.gz BINGFWFELKOCLZ-OALUTQOASA-N 2 0 388.512 0.686 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423163785 1194734411 /nfs/dbraw/zinc/73/44/11/1194734411.db2.gz NJAKHHFCKBOTBN-ROUUACIJSA-N 2 0 389.500 0.081 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423163776 1194734516 /nfs/dbraw/zinc/73/45/16/1194734516.db2.gz NICBUUWEXXDIQS-XUVXKRRUSA-N 2 0 399.539 0.962 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423163783 1194734691 /nfs/dbraw/zinc/73/46/91/1194734691.db2.gz NJAKHHFCKBOTBN-MSOLQXFVSA-N 2 0 389.500 0.081 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423166635 1194735165 /nfs/dbraw/zinc/73/51/65/1194735165.db2.gz RJOKXHMBGOWLKD-VAMGGRTRSA-N 2 0 399.539 0.962 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000423167426 1194735228 /nfs/dbraw/zinc/73/52/28/1194735228.db2.gz FFCKSCSFXFRQCP-UHFFFAOYSA-N 2 0 382.549 0.923 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423170792 1194735521 /nfs/dbraw/zinc/73/55/21/1194735521.db2.gz YWMJBJQDTPLIGW-FQEVSTJZSA-N 2 0 376.476 0.928 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000423173387 1194735611 /nfs/dbraw/zinc/73/56/11/1194735611.db2.gz YHQNBGPHHVDISX-SFHVURJKSA-N 3 0 396.576 0.694 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000423172318 1194735755 /nfs/dbraw/zinc/73/57/55/1194735755.db2.gz SEOADRAYDFCSHJ-QGZVFWFLSA-N 2 0 380.533 0.820 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423207138 1194736468 /nfs/dbraw/zinc/73/64/68/1194736468.db2.gz RELNPLBJLZPHAN-MRXNPFEDSA-N 2 0 382.892 0.416 20 0 GCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000423208750 1194737120 /nfs/dbraw/zinc/73/71/20/1194737120.db2.gz DPVSQSKGUNNWLL-SFHVURJKSA-N 2 0 380.533 0.535 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423209739 1194737136 /nfs/dbraw/zinc/73/71/36/1194737136.db2.gz VLLOMLDHNUWWMM-AWEZNQCLSA-N 2 0 384.427 0.041 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423211808 1194737631 /nfs/dbraw/zinc/73/76/31/1194737631.db2.gz ZAUJIYODPSIXTG-IYBDPMFKSA-N 2 0 378.904 0.908 20 0 GCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201069 1194738832 /nfs/dbraw/zinc/73/88/32/1194738832.db2.gz HFLSMJDRRVWVIY-QGZVFWFLSA-N 3 0 397.589 0.472 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423203646 1194739533 /nfs/dbraw/zinc/73/95/33/1194739533.db2.gz CSEVIGWHOSKNNX-NCXUSEDFSA-N 2 0 393.576 0.447 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000423214496 1194740349 /nfs/dbraw/zinc/74/03/49/1194740349.db2.gz OYZODHGHPISHRB-KZNAEPCWSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000423220912 1194741462 /nfs/dbraw/zinc/74/14/62/1194741462.db2.gz YVFCCPGRHDKZTM-KSZLIROESA-N 2 0 393.576 0.589 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000423262258 1194742676 /nfs/dbraw/zinc/74/26/76/1194742676.db2.gz URJYORUFWDLURS-MRXNPFEDSA-N 2 0 377.489 0.571 20 0 GCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423280396 1194745734 /nfs/dbraw/zinc/74/57/34/1194745734.db2.gz UBNOCFFOYNOSIG-SFHVURJKSA-N 2 0 391.560 0.217 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C[C@@H]21 ZINC000423372424 1194750243 /nfs/dbraw/zinc/75/02/43/1194750243.db2.gz GHFJDEFCIHRCEI-ZJPYXAASSA-N 2 0 378.517 0.143 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423373373 1194750671 /nfs/dbraw/zinc/75/06/71/1194750671.db2.gz BRLIFTSVWKGIFG-FUHWJXTLSA-N 2 0 392.544 0.546 20 0 GCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423361036 1194751355 /nfs/dbraw/zinc/75/13/55/1194751355.db2.gz GMIAZLLCTSVYES-INIZCTEOSA-N 2 0 393.557 0.144 20 0 GCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423371448 1194751941 /nfs/dbraw/zinc/75/19/41/1194751941.db2.gz QMPUFEMLBPQPDT-INIZCTEOSA-N 2 0 392.500 0.384 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423379938 1194752010 /nfs/dbraw/zinc/75/20/10/1194752010.db2.gz MITATKOSGHKWJS-SJLPKXTDSA-N 2 0 381.565 0.445 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN1C1CC[NH+](C)CC1 ZINC000423383342 1194752359 /nfs/dbraw/zinc/75/23/59/1194752359.db2.gz PAGCKKRJRXUJSG-DYESRHJHSA-N 2 0 391.560 0.215 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN1C1CC[NH+](C)CC1 ZINC000423383343 1194752599 /nfs/dbraw/zinc/75/25/99/1194752599.db2.gz PAGCKKRJRXUJSG-LAUBAEHRSA-N 2 0 391.560 0.215 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCN1C1CC[NH+](C)CC1 ZINC000423387119 1194752838 /nfs/dbraw/zinc/75/28/38/1194752838.db2.gz SLMGGTMKQNVWIO-SJORKVTESA-N 2 0 379.549 0.201 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000423393554 1194753370 /nfs/dbraw/zinc/75/33/70/1194753370.db2.gz YTFOWEXAGMPRRI-KRWDZBQOSA-N 2 0 393.576 0.461 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000423418920 1194754054 /nfs/dbraw/zinc/75/40/54/1194754054.db2.gz VGNZOLVERYVQDQ-QGZVFWFLSA-N 2 0 393.536 0.478 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423416630 1194755403 /nfs/dbraw/zinc/75/54/03/1194755403.db2.gz REPYCKRVALGCOJ-KRWDZBQOSA-N 2 0 382.549 0.781 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423415112 1194755521 /nfs/dbraw/zinc/75/55/21/1194755521.db2.gz OOUQYQHLMNODTC-MSOLQXFVSA-N 2 0 382.549 0.922 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423443978 1194755747 /nfs/dbraw/zinc/75/57/47/1194755747.db2.gz LELFZPVKNDPGCH-OALUTQOASA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[C@H]1[NH3+] ZINC000423449311 1194756114 /nfs/dbraw/zinc/75/61/14/1194756114.db2.gz RJEHSQRVXQIEDX-SJLPKXTDSA-N 2 0 380.533 0.533 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423451840 1194756164 /nfs/dbraw/zinc/75/61/64/1194756164.db2.gz VLRIISWFYQFPJR-UHFFFAOYSA-N 2 0 382.549 0.781 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000423450805 1194756183 /nfs/dbraw/zinc/75/61/83/1194756183.db2.gz UFWIDKMPYLCNKX-GOSISDBHSA-N 2 0 382.549 0.794 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)C1 ZINC000423452042 1194756589 /nfs/dbraw/zinc/75/65/89/1194756589.db2.gz VULZFNLTRXRIRR-SFHVURJKSA-N 2 0 382.549 0.794 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCO1 ZINC000423431721 1194756805 /nfs/dbraw/zinc/75/68/05/1194756805.db2.gz ATBGNZRIBGPPRW-SFHVURJKSA-N 2 0 380.533 0.677 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423439136 1194757538 /nfs/dbraw/zinc/75/75/38/1194757538.db2.gz HMGXZCRHJKSTRJ-NRFANRHFSA-N 2 0 394.560 0.795 20 0 GCADRP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423439248 1194757545 /nfs/dbraw/zinc/75/75/45/1194757545.db2.gz HVDNFZKVMPILFJ-OALUTQOASA-N 2 0 392.544 0.405 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423440301 1194757566 /nfs/dbraw/zinc/75/75/66/1194757566.db2.gz ILFSJWYGIDFCCZ-HXUWFJFHSA-N 2 0 380.533 0.535 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000423441786 1194757624 /nfs/dbraw/zinc/75/76/24/1194757624.db2.gz JJZIRRGXVHXCTG-GUDVDZBRSA-N 2 0 394.560 0.794 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423439247 1194757676 /nfs/dbraw/zinc/75/76/76/1194757676.db2.gz HVDNFZKVMPILFJ-MOPGFXCFSA-N 2 0 392.544 0.405 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000423441785 1194757687 /nfs/dbraw/zinc/75/76/87/1194757687.db2.gz JJZIRRGXVHXCTG-GBESFXJTSA-N 2 0 394.560 0.794 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1)CC1CC1 ZINC000423459893 1194757889 /nfs/dbraw/zinc/75/78/89/1194757889.db2.gz AEZJUTONHHBHJI-GOSISDBHSA-N 2 0 380.533 0.533 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000423475192 1194758831 /nfs/dbraw/zinc/75/88/31/1194758831.db2.gz IOGNQFSISHYYEE-YJBOKZPZSA-N 2 0 376.501 0.781 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423480313 1194759302 /nfs/dbraw/zinc/75/93/02/1194759302.db2.gz PGNTYOJYZIOMFB-QZTJIDSGSA-N 2 0 388.512 0.653 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423453433 1194759378 /nfs/dbraw/zinc/75/93/78/1194759378.db2.gz XNBNDBAKRQOPND-OALUTQOASA-N 2 0 392.544 0.548 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423532591 1194761779 /nfs/dbraw/zinc/76/17/79/1194761779.db2.gz ZZYPIGQFBBGSDX-NRFANRHFSA-N 2 0 394.560 0.938 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423511158 1194762007 /nfs/dbraw/zinc/76/20/07/1194762007.db2.gz NLOCDXFTPBHUAI-ROUUACIJSA-N 2 0 382.549 0.922 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423523416 1194762898 /nfs/dbraw/zinc/76/28/98/1194762898.db2.gz NIGVAJVHXVGCGH-DLBZAZTESA-N 2 0 382.549 0.922 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000423526865 1194763070 /nfs/dbraw/zinc/76/30/70/1194763070.db2.gz RBWORHMTPZRFTM-OXQOHEQNSA-N 2 0 382.549 0.779 20 0 GCADRP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423527662 1194763435 /nfs/dbraw/zinc/76/34/35/1194763435.db2.gz MKODOAQPTODQIE-BHIYHBOVSA-N 2 0 393.576 0.732 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423593512 1194774658 /nfs/dbraw/zinc/77/46/58/1194774658.db2.gz MHYYIXAXMGYIDS-RXVVDRJESA-N 2 0 388.512 0.292 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)[C@@H](C[NH3+])C1 ZINC000423628631 1194775387 /nfs/dbraw/zinc/77/53/87/1194775387.db2.gz AOJAIDOSNJXPAD-CVEARBPZSA-N 2 0 380.489 0.525 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423623324 1194777914 /nfs/dbraw/zinc/77/79/14/1194777914.db2.gz OEKGCWAYUFRSPN-WIYYLYMNSA-N 2 0 388.512 0.422 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423622290 1194777971 /nfs/dbraw/zinc/77/79/71/1194777971.db2.gz YUEXKHCNVURXBP-BQFCYCMXSA-N 2 0 380.533 0.545 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423623110 1194778148 /nfs/dbraw/zinc/77/81/48/1194778148.db2.gz NRPBKWOHSWTMAP-KZNAEPCWSA-N 2 0 379.549 0.343 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000423650427 1194778922 /nfs/dbraw/zinc/77/89/22/1194778922.db2.gz KSUKRVQEXPRMRQ-IRXDYDNUSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)CC1 ZINC000423651229 1194779341 /nfs/dbraw/zinc/77/93/41/1194779341.db2.gz LLEAQEOKGZIURQ-DLBZAZTESA-N 2 0 379.549 0.199 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423658004 1194780442 /nfs/dbraw/zinc/78/04/42/1194780442.db2.gz DYTJWOPTYWSJOH-WMZOPIPTSA-N 2 0 379.549 0.214 20 0 GCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423660880 1194780564 /nfs/dbraw/zinc/78/05/64/1194780564.db2.gz BNCSMJZVNGFLFO-IBGZPJMESA-N 2 0 388.512 0.545 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(OCC[NH+](CC)CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659201 1194780756 /nfs/dbraw/zinc/78/07/56/1194780756.db2.gz HRPPBLRICCUBQD-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423669191 1194782405 /nfs/dbraw/zinc/78/24/05/1194782405.db2.gz XRIPUEWQPWOPES-QRVBRYPASA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C[C@H](C)N1CCO ZINC000423670276 1194782911 /nfs/dbraw/zinc/78/29/11/1194782911.db2.gz MGCSEVKOZHAURM-CALCHBBNSA-N 2 0 376.501 0.278 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423680882 1194785078 /nfs/dbraw/zinc/78/50/78/1194785078.db2.gz LPDXUEIUTNESAQ-UHFFFAOYSA-N 2 0 389.544 0.458 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCN1CC(C)(C)O ZINC000423684121 1194785418 /nfs/dbraw/zinc/78/54/18/1194785418.db2.gz XEAIPFHTZNOOJE-QGZVFWFLSA-N 2 0 390.528 0.668 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423685830 1194785987 /nfs/dbraw/zinc/78/59/87/1194785987.db2.gz VJJJRAQQBIQHON-IAGOWNOFSA-N 2 0 395.548 0.165 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423688352 1194786192 /nfs/dbraw/zinc/78/61/92/1194786192.db2.gz WJTWAPYFQMUKGX-AEFFLSMTSA-N 2 0 380.533 0.676 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000423688672 1194786321 /nfs/dbraw/zinc/78/63/21/1194786321.db2.gz BMWJHAODMVFZHB-NQIIRXRSSA-N 2 0 386.496 0.297 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423725530 1194789584 /nfs/dbraw/zinc/78/95/84/1194789584.db2.gz HRPAPPLZXGMHLS-NCXUSEDFSA-N 2 0 393.576 0.589 20 0 GCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727807 1194789818 /nfs/dbraw/zinc/78/98/18/1194789818.db2.gz KXYULZVLZCNIIB-HCXYKTFWSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423727447 1194789884 /nfs/dbraw/zinc/78/98/84/1194789884.db2.gz IZKFPBYALGMAFA-SJLPKXTDSA-N 2 0 382.549 0.922 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)c1 ZINC000423741795 1194790877 /nfs/dbraw/zinc/79/08/77/1194790877.db2.gz TWNOTNXAXBZIBU-ZBFHGGJFSA-N 2 0 375.473 0.325 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423748542 1194791859 /nfs/dbraw/zinc/79/18/59/1194791859.db2.gz ZMUNEPBSKYPEFJ-HKUYNNGSSA-N 2 0 394.560 0.923 20 0 GCADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424485142 1194815682 /nfs/dbraw/zinc/81/56/82/1194815682.db2.gz BREKQWMPKMRBLZ-DLBZAZTESA-N 2 0 378.521 0.302 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[NH2+]CC2 ZINC000424493653 1194817233 /nfs/dbraw/zinc/81/72/33/1194817233.db2.gz LJWRFQQQFWVWPF-KRWDZBQOSA-N 2 0 381.565 0.319 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)CC[NH2+]CC2 ZINC000424496638 1194817915 /nfs/dbraw/zinc/81/79/15/1194817915.db2.gz UTQWXLQSABHAIP-MSOLQXFVSA-N 2 0 392.544 0.548 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424504653 1194818773 /nfs/dbraw/zinc/81/87/73/1194818773.db2.gz JWJSEUMTOKIOLK-SJORKVTESA-N 2 0 380.533 0.450 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424528246 1194819232 /nfs/dbraw/zinc/81/92/32/1194819232.db2.gz UCJPUFFOGQGERS-VQTJNVASSA-N 2 0 399.539 0.131 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CC[NH2+]CC2 ZINC000424509818 1194819310 /nfs/dbraw/zinc/81/93/10/1194819310.db2.gz QTBRSFLIPMOORI-IAGOWNOFSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534196 1194819886 /nfs/dbraw/zinc/81/98/86/1194819886.db2.gz ZDNDTVFYGCAHEW-CIRFHOKZSA-N 2 0 390.532 0.157 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCC(C)(C)C)CC3)C[C@H]2[NH3+])cn1 ZINC000424538119 1194820335 /nfs/dbraw/zinc/82/03/35/1194820335.db2.gz DCTLSIXCZXTENQ-DLBZAZTESA-N 2 0 390.532 0.254 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424518236 1194821340 /nfs/dbraw/zinc/82/13/40/1194821340.db2.gz HOKWXSWDBYTMJA-MSOLQXFVSA-N 2 0 393.576 0.367 20 0 GCADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424528715 1194822280 /nfs/dbraw/zinc/82/22/80/1194822280.db2.gz UMULMWKMLYOPAQ-ZWKOTPCHSA-N 2 0 390.532 0.302 20 0 GCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548231 1194823504 /nfs/dbraw/zinc/82/35/04/1194823504.db2.gz KXTAZWMGLDZONM-OSBBLCOHSA-N 2 0 390.532 0.156 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000424550660 1194823924 /nfs/dbraw/zinc/82/39/24/1194823924.db2.gz TVKLIORFJSDXAW-QSPRXWTASA-N 2 0 376.505 0.004 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CC(C)C ZINC000424553130 1194824398 /nfs/dbraw/zinc/82/43/98/1194824398.db2.gz RALXKCPEKLEPFL-OKZBNKHCSA-N 2 0 392.548 0.546 20 0 GCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414801044 1194826100 /nfs/dbraw/zinc/82/61/00/1194826100.db2.gz ZIJCLXNVGQXRPL-INIZCTEOSA-N 2 0 391.516 0.366 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C[C@@H](C)O1 ZINC000549969955 1194826267 /nfs/dbraw/zinc/82/62/67/1194826267.db2.gz BDSHLXQDSIWHHI-IAGOWNOFSA-N 2 0 382.549 0.983 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000414811936 1194828816 /nfs/dbraw/zinc/82/88/16/1194828816.db2.gz QHQYEPVGUNJYOT-UHFFFAOYSA-N 2 0 389.500 0.357 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)c1 ZINC000414819711 1194831067 /nfs/dbraw/zinc/83/10/67/1194831067.db2.gz ZKBADOYQLQBYPU-UHFFFAOYSA-N 2 0 399.451 0.715 20 0 GCADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000414842433 1194839924 /nfs/dbraw/zinc/83/99/24/1194839924.db2.gz BFUMYLKRCKNAIQ-QGZVFWFLSA-N 2 0 376.501 0.944 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC1 ZINC000434354772 1194841518 /nfs/dbraw/zinc/84/15/18/1194841518.db2.gz KESQTOBIEFNGNY-SFHVURJKSA-N 2 0 381.565 0.909 20 0 GCADRP O=C(C[C@H]1CSCC[NH2+]1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000434878712 1194875698 /nfs/dbraw/zinc/87/56/98/1194875698.db2.gz FHMBKDLQFQZAQZ-INIZCTEOSA-N 2 0 378.546 0.590 20 0 GCADRP C[NH+](CCN1CCOCC1)Cc1cncc(C[N@H+](C)CCN2CCOCC2)c1 ZINC000514653627 1194891182 /nfs/dbraw/zinc/89/11/82/1194891182.db2.gz ZXVRHURMOMRLMD-UHFFFAOYSA-N 2 0 391.560 0.610 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000510027898 1194894239 /nfs/dbraw/zinc/89/42/39/1194894239.db2.gz IUUWNCLSJWMCKZ-MRXNPFEDSA-N 2 0 390.463 0.941 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000664473474 1194896019 /nfs/dbraw/zinc/89/60/19/1194896019.db2.gz RNZSJLZSNDBGJO-SJORKVTESA-N 2 0 383.537 0.026 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000514791538 1194909423 /nfs/dbraw/zinc/90/94/23/1194909423.db2.gz SBUYIBKQLVDQBE-HKUYNNGSSA-N 2 0 394.560 0.935 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000514791540 1194909668 /nfs/dbraw/zinc/90/96/68/1194909668.db2.gz SBUYIBKQLVDQBE-MJGOQNOKSA-N 2 0 394.560 0.935 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652731235 1194926068 /nfs/dbraw/zinc/92/60/68/1194926068.db2.gz FGUMWRFBCXVMIJ-BHIYHBOVSA-N 2 0 388.512 0.542 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000514927881 1194929836 /nfs/dbraw/zinc/92/98/36/1194929836.db2.gz WAMJHHNWHZUTOO-UHFFFAOYSA-N 2 0 393.576 0.509 20 0 GCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000425390623 1194941096 /nfs/dbraw/zinc/94/10/96/1194941096.db2.gz RBBKUSDGIGASAT-OKZBNKHCSA-N 2 0 378.517 0.110 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)CC2)c1 ZINC000425389980 1194941759 /nfs/dbraw/zinc/94/17/59/1194941759.db2.gz QCJSQABTYLXAJB-DOTOQJQBSA-N 2 0 387.484 0.291 20 0 GCADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000638113291 1194942313 /nfs/dbraw/zinc/94/23/13/1194942313.db2.gz REGCVFAHFHQPML-GOSISDBHSA-N 2 0 376.501 0.624 20 0 GCADRP C[N@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000515047766 1194943637 /nfs/dbraw/zinc/94/36/37/1194943637.db2.gz SEJZYHDRNLCLCH-IBGZPJMESA-N 2 0 387.528 0.972 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000515316246 1194968222 /nfs/dbraw/zinc/96/82/22/1194968222.db2.gz SMCAHLOCWXDWSY-UHFFFAOYSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000515356876 1194970418 /nfs/dbraw/zinc/97/04/18/1194970418.db2.gz LKUQTMQRNZMHEB-IYBDPMFKSA-N 2 0 376.501 0.719 20 0 GCADRP CN1CC[C@@H](CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000425434961 1194977915 /nfs/dbraw/zinc/97/79/15/1194977915.db2.gz QULVAWUGSUUJPZ-QGZVFWFLSA-N 2 0 388.516 0.761 20 0 GCADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436052212 1194982308 /nfs/dbraw/zinc/98/23/08/1194982308.db2.gz CHCKTTLWNXPTOT-INIZCTEOSA-N 2 0 375.473 0.434 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000436129128 1194986866 /nfs/dbraw/zinc/98/68/66/1194986866.db2.gz VYYYEIDRBMQSDY-SJORKVTESA-N 2 0 397.564 0.416 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCOCC1CC1 ZINC000285715910 1194988823 /nfs/dbraw/zinc/98/88/23/1194988823.db2.gz DAXBYYIRIAGFEE-UHFFFAOYSA-N 2 0 389.500 0.253 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000505774098 1194990722 /nfs/dbraw/zinc/99/07/22/1194990722.db2.gz VBVGJUSZBRSMKZ-ZWKOTPCHSA-N 2 0 392.548 0.777 20 0 GCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000515686338 1194991069 /nfs/dbraw/zinc/99/10/69/1194991069.db2.gz SJLFLSXOAPMNIK-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000515701358 1194991932 /nfs/dbraw/zinc/99/19/32/1194991932.db2.gz NOZJONHNSMPGQJ-GBESFXJTSA-N 2 0 394.560 0.813 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000515908125 1195008237 /nfs/dbraw/zinc/00/82/37/1195008237.db2.gz YVLHXFOBTDWICA-RBUKOAKNSA-N 2 0 394.560 0.719 20 0 GCADRP Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000516139505 1195025413 /nfs/dbraw/zinc/02/54/13/1195025413.db2.gz BQTQHIFVUUCPOM-HNNXBMFYSA-N 2 0 380.493 0.162 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516199039 1195031239 /nfs/dbraw/zinc/03/12/39/1195031239.db2.gz KSUCAZDXMJTKHL-MOPGFXCFSA-N 2 0 392.544 0.833 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](c2nnc[nH]2)C1 ZINC000425659649 1195053533 /nfs/dbraw/zinc/05/35/33/1195053533.db2.gz IPOLMYBFVDFQBV-INIZCTEOSA-N 2 0 384.488 0.911 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000516558914 1195067095 /nfs/dbraw/zinc/06/70/95/1195067095.db2.gz FZNHRUXBPANXLQ-XYJFISCASA-N 2 0 380.533 0.687 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000516750704 1195090001 /nfs/dbraw/zinc/09/00/01/1195090001.db2.gz FZRWOQFZCOAYFZ-OALUTQOASA-N 2 0 389.544 0.361 20 0 GCADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506037918 1195100596 /nfs/dbraw/zinc/10/05/96/1195100596.db2.gz WXDNJDXHRVYYGG-MJGOQNOKSA-N 2 0 394.560 0.923 20 0 GCADRP [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)C1 ZINC000516920949 1195112842 /nfs/dbraw/zinc/11/28/42/1195112842.db2.gz DYRNCHYBRNMNGR-PKOBYXMFSA-N 2 0 392.544 0.818 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000517186884 1195151194 /nfs/dbraw/zinc/15/11/94/1195151194.db2.gz KSBWTIPNROVLJM-QRVBRYPASA-N 2 0 393.576 0.317 20 0 GCADRP CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897842 1195156815 /nfs/dbraw/zinc/15/68/15/1195156815.db2.gz WKYJFPVFALAGBK-HNNXBMFYSA-N 2 0 385.534 0.892 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000517250913 1195164487 /nfs/dbraw/zinc/16/44/87/1195164487.db2.gz WUULEQPGBOAFRV-IBGZPJMESA-N 2 0 395.592 0.757 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000517254052 1195165076 /nfs/dbraw/zinc/16/50/76/1195165076.db2.gz WFCRMYHGVARIJC-INIZCTEOSA-N 2 0 382.549 0.935 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC4(C[C@@H]3C)CC[NH2+]CC4)C2)CC1 ZINC000517358518 1195173137 /nfs/dbraw/zinc/17/31/37/1195173137.db2.gz GHHUUYTWVUYZEE-ZWKOTPCHSA-N 2 0 391.560 0.215 20 0 GCADRP COC[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000438353488 1195211041 /nfs/dbraw/zinc/21/10/41/1195211041.db2.gz BRMNNRADOCIYAK-DZVNLGKHSA-N 2 0 382.549 0.979 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000517755963 1195213344 /nfs/dbraw/zinc/21/33/44/1195213344.db2.gz AXKWLMJYFNGWCL-IAGOWNOFSA-N 2 0 382.574 0.908 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000550003149 1195227346 /nfs/dbraw/zinc/22/73/46/1195227346.db2.gz ZNIBAAHXNFQATP-UHFFFAOYSA-N 2 0 382.549 0.983 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000518016842 1195238820 /nfs/dbraw/zinc/23/88/20/1195238820.db2.gz UOFYBQCTKYLION-GUDVDZBRSA-N 2 0 381.565 0.907 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000518176460 1195261414 /nfs/dbraw/zinc/26/14/14/1195261414.db2.gz UTCRSVRHOIVPMP-IBGZPJMESA-N 2 0 388.512 0.892 20 0 GCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000414975452 1195277704 /nfs/dbraw/zinc/27/77/04/1195277704.db2.gz LRCLHQMGKPLTNT-PBHICJAKSA-N 2 0 387.484 0.410 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000518360320 1195282597 /nfs/dbraw/zinc/28/25/97/1195282597.db2.gz QMBCHBHGLVOYPM-SCTDSRPQSA-N 2 0 394.560 0.922 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000518360322 1195282877 /nfs/dbraw/zinc/28/28/77/1195282877.db2.gz QMBCHBHGLVOYPM-ZIFCJYIRSA-N 2 0 394.560 0.922 20 0 GCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000414978939 1195284046 /nfs/dbraw/zinc/28/40/46/1195284046.db2.gz SVGRLJFOKKXXIU-QGZVFWFLSA-N 2 0 387.484 0.110 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000518408913 1195288644 /nfs/dbraw/zinc/28/86/44/1195288644.db2.gz XPEVXJKVHPSEGC-SFHVURJKSA-N 2 0 395.592 0.614 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)cn(C)c1=O ZINC000439209057 1195296936 /nfs/dbraw/zinc/29/69/36/1195296936.db2.gz LMSWTAUZHFUXFT-INIZCTEOSA-N 2 0 391.516 0.507 20 0 GCADRP C[C@@H]1COCCN1CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000426385642 1195320469 /nfs/dbraw/zinc/32/04/69/1195320469.db2.gz PRKCHYDIJAVQPF-HOJAQTOUSA-N 2 0 390.528 0.889 20 0 GCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439476740 1195324097 /nfs/dbraw/zinc/32/40/97/1195324097.db2.gz IBQFGZLLAGVBJF-GOSISDBHSA-N 2 0 394.520 0.293 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000518938727 1195347791 /nfs/dbraw/zinc/34/77/91/1195347791.db2.gz IFSPUBZYPNRDTO-KRWDZBQOSA-N 2 0 389.500 0.563 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000518950550 1195349436 /nfs/dbraw/zinc/34/94/36/1195349436.db2.gz SRFYBDSIPYOGAZ-SJORKVTESA-N 2 0 381.565 0.365 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000439969094 1195370653 /nfs/dbraw/zinc/37/06/53/1195370653.db2.gz HGWODBOTZCFSQV-KRWDZBQOSA-N 2 0 376.505 0.906 20 0 GCADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000519142908 1195372359 /nfs/dbraw/zinc/37/23/59/1195372359.db2.gz CQMZUFKYOBSOLX-KRWDZBQOSA-N 2 0 379.501 0.829 20 0 GCADRP COc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000426548322 1195373658 /nfs/dbraw/zinc/37/36/58/1195373658.db2.gz MBWYOHUNBKCTNW-VQHPVUNQSA-N 2 0 387.532 0.801 20 0 GCADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000415009879 1195394714 /nfs/dbraw/zinc/39/47/14/1195394714.db2.gz ONEQUVYOKVDIJQ-MOPGFXCFSA-N 2 0 382.464 0.835 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000550033906 1195417139 /nfs/dbraw/zinc/41/71/39/1195417139.db2.gz IETVRKGGJMBBJT-UHFFFAOYSA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000262037381 1195433794 /nfs/dbraw/zinc/43/37/94/1195433794.db2.gz KTJAHLKQIUCNLV-KRWDZBQOSA-N 2 0 394.541 0.581 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550098529 1195434611 /nfs/dbraw/zinc/43/46/11/1195434611.db2.gz VTOCPIDLDSZOSL-ROUUACIJSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000550096911 1195435513 /nfs/dbraw/zinc/43/55/13/1195435513.db2.gz NMQHFNNPOUXQLD-ROUUACIJSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000550099348 1195435778 /nfs/dbraw/zinc/43/57/78/1195435778.db2.gz OAIDXJYZRJPQPA-KRWDZBQOSA-N 2 0 382.549 0.839 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000473724581 1195450915 /nfs/dbraw/zinc/45/09/15/1195450915.db2.gz PVNKUDJYYCEIGB-HNNXBMFYSA-N 2 0 390.532 0.995 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000507002110 1195486324 /nfs/dbraw/zinc/48/63/24/1195486324.db2.gz ONJCTYSTIKGAGO-UHFFFAOYSA-N 2 0 392.500 0.793 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)n2)CC1 ZINC000426915530 1195492257 /nfs/dbraw/zinc/49/22/57/1195492257.db2.gz WTLYTDNZMYULGJ-HNNXBMFYSA-N 2 0 388.516 1.221 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)n2)CC1 ZINC000427017076 1195499830 /nfs/dbraw/zinc/49/98/30/1195499830.db2.gz UHBWJRFKJNTTRK-UHFFFAOYSA-N 2 0 388.516 1.175 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCSC1 ZINC000519593438 1195501440 /nfs/dbraw/zinc/50/14/40/1195501440.db2.gz WNPNJCFXTQJRKR-FCEWJHQRSA-N 2 0 397.589 0.714 20 0 GCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000427121563 1195508721 /nfs/dbraw/zinc/50/87/21/1195508721.db2.gz JNSNIANGRWBWBH-UHFFFAOYSA-N 2 0 398.511 1.466 20 0 GCADRP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1 ZINC000507364056 1195514348 /nfs/dbraw/zinc/51/43/48/1195514348.db2.gz XUFUCYQYSAXIOE-UHFFFAOYSA-N 2 0 381.521 0.047 20 0 GCADRP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000664883774 1195551244 /nfs/dbraw/zinc/55/12/44/1195551244.db2.gz MUPDWNFYGLLBMW-CIQAELJKSA-N 2 0 395.548 0.478 20 0 GCADRP CN1CCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633198 1195559994 /nfs/dbraw/zinc/55/99/94/1195559994.db2.gz VQEISMHXCLESOE-UXHICEINSA-N 2 0 388.560 0.650 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000519734293 1195567565 /nfs/dbraw/zinc/56/75/65/1195567565.db2.gz YBVLCJZAVUWWQR-AEFFLSMTSA-N 2 0 380.533 0.545 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)c2)CC1 ZINC000415771463 1195578568 /nfs/dbraw/zinc/57/85/68/1195578568.db2.gz RYGUZIFPUOLJRT-UHFFFAOYSA-N 2 0 399.539 0.975 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440985552 1195592771 /nfs/dbraw/zinc/59/27/71/1195592771.db2.gz PMBFXENBWVYUSL-UHFFFAOYSA-N 2 0 382.597 0.729 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000550373179 1195646360 /nfs/dbraw/zinc/64/63/60/1195646360.db2.gz ZQZUEHUMJICYIE-RBUKOAKNSA-N 2 0 394.560 0.860 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000550383558 1195651463 /nfs/dbraw/zinc/65/14/63/1195651463.db2.gz MIVOLAJOZNYYEU-OALUTQOASA-N 2 0 393.576 0.461 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473965274 1195652945 /nfs/dbraw/zinc/65/29/45/1195652945.db2.gz LEEMOUKXVGQMBK-UHFFFAOYSA-N 2 0 397.564 0.464 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000536356051 1195744858 /nfs/dbraw/zinc/74/48/58/1195744858.db2.gz QTVDYFHVINKMPS-QRVBRYPASA-N 2 0 375.517 0.167 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000672111194 1195745748 /nfs/dbraw/zinc/74/57/48/1195745748.db2.gz CNAJVCGGTCRVNC-DLBZAZTESA-N 2 0 395.548 0.036 20 0 GCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417519668 1195767583 /nfs/dbraw/zinc/76/75/83/1195767583.db2.gz VNUWNDVEBHUNPN-DLBZAZTESA-N 2 0 375.521 0.771 20 0 GCADRP C[NH+]1CCC[C@H]2[C@@H]1CCN2c1nc(C(N)=O)cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000895091908 1195804142 /nfs/dbraw/zinc/80/41/42/1195804142.db2.gz JYTZQSLJLINRFA-FJIDUMEYSA-N 2 0 399.543 0.921 20 0 GCADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)([NH+](C)C)C1 ZINC000520620627 1195804178 /nfs/dbraw/zinc/80/41/78/1195804178.db2.gz IIGBTZZDFJONRZ-GHTZIAJQSA-N 2 0 395.592 0.757 20 0 GCADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417725786 1195823475 /nfs/dbraw/zinc/82/34/75/1195823475.db2.gz GHLMUFOSFMVTBY-PKOBYXMFSA-N 2 0 375.517 0.956 20 0 GCADRP C[C@H]1CCC[NH+](CCNC(=O)COCC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000129611503 1195851701 /nfs/dbraw/zinc/85/17/01/1195851701.db2.gz OOUSVMLGHDXHGO-ROUUACIJSA-N 2 0 382.549 0.699 20 0 GCADRP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H](C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)CC3)C[C@H]2C1 ZINC000427800561 1195878714 /nfs/dbraw/zinc/87/87/14/1195878714.db2.gz SLZSYZZEWGZNDZ-RCJQCDAJSA-N 2 0 388.556 0.833 20 0 GCADRP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000508223856 1195909861 /nfs/dbraw/zinc/90/98/61/1195909861.db2.gz HXONDBOXUKIFNM-SFHVURJKSA-N 2 0 380.533 0.549 20 0 GCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000441833210 1195923276 /nfs/dbraw/zinc/92/32/76/1195923276.db2.gz IJNBEFFCQZWZTO-UHFFFAOYSA-N 2 0 380.493 0.173 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000441841885 1195923737 /nfs/dbraw/zinc/92/37/37/1195923737.db2.gz AOXRMMJHWACEES-UHFFFAOYSA-N 2 0 393.488 0.188 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4nnn(C(C)(C)C)n4)C[C@H]32)CC[N@@H+]1C ZINC001075809159 1195929684 /nfs/dbraw/zinc/92/96/84/1195929684.db2.gz WNMZOXFFGQOZGV-YYIAUSFCSA-N 2 0 389.548 0.844 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000442009749 1195941989 /nfs/dbraw/zinc/94/19/89/1195941989.db2.gz ZGECVKMSKIDIOW-MRXNPFEDSA-N 2 0 378.473 0.402 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000550456294 1195961293 /nfs/dbraw/zinc/96/12/93/1195961293.db2.gz ILRAHEZLKPXJBC-ZWKOTPCHSA-N 2 0 398.548 0.029 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550455722 1195965993 /nfs/dbraw/zinc/96/59/93/1195965993.db2.gz CFQKZGANIGAMBG-ZWKOTPCHSA-N 2 0 382.549 0.554 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000550457963 1195980504 /nfs/dbraw/zinc/98/05/04/1195980504.db2.gz JOMYTNANFOTWCX-DLBZAZTESA-N 2 0 382.549 0.696 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000550458001 1195982226 /nfs/dbraw/zinc/98/22/26/1195982226.db2.gz LBYQNLQEGKWKEN-GOSISDBHSA-N 2 0 382.549 0.650 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000550458803 1195988500 /nfs/dbraw/zinc/98/85/00/1195988500.db2.gz RWVXBEJNKNTCKZ-QZTJIDSGSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000521392868 1195994429 /nfs/dbraw/zinc/99/44/29/1195994429.db2.gz HXAJPSCCVDURAX-AOIWGVFYSA-N 2 0 392.544 0.641 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000521609682 1196007128 /nfs/dbraw/zinc/00/71/28/1196007128.db2.gz BHNXCNMNDUOYMC-IPMKNSEASA-N 2 0 392.544 0.818 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000521609681 1196007221 /nfs/dbraw/zinc/00/72/21/1196007221.db2.gz BHNXCNMNDUOYMC-GUDVDZBRSA-N 2 0 392.544 0.818 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC(C)CC3)C2)CC1 ZINC000550464482 1196023849 /nfs/dbraw/zinc/02/38/49/1196023849.db2.gz LSJAMQGBQKESKC-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000550480348 1196051895 /nfs/dbraw/zinc/05/18/95/1196051895.db2.gz CGBKZFPXGCRBJT-UHFFFAOYSA-N 2 0 393.576 0.606 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000550494280 1196056497 /nfs/dbraw/zinc/05/64/97/1196056497.db2.gz NBTWMBRFCLHWAW-UHFFFAOYSA-N 2 0 393.576 0.652 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000550512799 1196070784 /nfs/dbraw/zinc/07/07/84/1196070784.db2.gz ILTOTHSQMCHEBX-SFHVURJKSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000550518529 1196071589 /nfs/dbraw/zinc/07/15/89/1196071589.db2.gz DYFSUPLMOBEEFX-SJLPKXTDSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1=O ZINC000247516138 1196081458 /nfs/dbraw/zinc/08/14/58/1196081458.db2.gz NQMNONDIYLYDQZ-KBAYOESNSA-N 2 0 380.533 0.281 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000550550346 1196083302 /nfs/dbraw/zinc/08/33/02/1196083302.db2.gz FDDRDBJPXFSFEY-QGZVFWFLSA-N 2 0 381.565 0.365 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443705002 1196093189 /nfs/dbraw/zinc/09/31/89/1196093189.db2.gz GBRBGVJDZPUSFT-INIZCTEOSA-N 2 0 387.550 0.739 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)CC1=O ZINC000896564868 1196164934 /nfs/dbraw/zinc/16/49/34/1196164934.db2.gz TZZJWYUUYHYVEG-BSDSXHPESA-N 2 0 379.549 0.070 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)CC1=O ZINC000896564870 1196165279 /nfs/dbraw/zinc/16/52/79/1196165279.db2.gz TZZJWYUUYHYVEG-TVFCKZIOSA-N 2 0 379.549 0.070 20 0 GCADRP CC(C)(O)C[NH+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000665459958 1196179917 /nfs/dbraw/zinc/17/99/17/1196179917.db2.gz VPRXVPDVGCQYOS-UHFFFAOYSA-N 2 0 382.549 0.976 20 0 GCADRP C[NH+](C)[C@H]1CCCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000330298964 1196267348 /nfs/dbraw/zinc/26/73/48/1196267348.db2.gz LYYHRCSWWNJIBA-ZWKOTPCHSA-N 2 0 380.533 0.642 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)oc1C ZINC000281730156 1196327337 /nfs/dbraw/zinc/32/73/37/1196327337.db2.gz XNBKJGCQFWNNQE-AWEZNQCLSA-N 2 0 386.518 0.724 20 0 GCADRP CNc1nc(N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)nc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)n1 ZINC000896914385 1196368585 /nfs/dbraw/zinc/36/85/85/1196368585.db2.gz DBHMVFWVQHBJRD-IQGAEYHTSA-N 3 0 386.548 0.111 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000104533299 1196385506 /nfs/dbraw/zinc/38/55/06/1196385506.db2.gz MUKHCNOIHPLMFD-UHFFFAOYSA-N 2 0 375.448 0.937 20 0 GCADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000897235908 1196407867 /nfs/dbraw/zinc/40/78/67/1196407867.db2.gz ZFGIKTDAKAUQMX-HKUYNNGSSA-N 2 0 379.501 0.886 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000665759187 1196460794 /nfs/dbraw/zinc/46/07/94/1196460794.db2.gz RQFVBJYXWDOFMC-SFHVURJKSA-N 2 0 381.565 0.955 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914645 1196567301 /nfs/dbraw/zinc/56/73/01/1196567301.db2.gz JZGVLPZWJMYFHS-FGTMMUONSA-N 2 0 397.564 0.728 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135647 1196577673 /nfs/dbraw/zinc/57/76/73/1196577673.db2.gz MNLITQVWEHAVKL-FHWLQOOXSA-N 2 0 381.565 0.907 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000524251446 1196583148 /nfs/dbraw/zinc/58/31/48/1196583148.db2.gz BYVRRXVBIGFMSH-UHFFFAOYSA-N 2 0 382.549 0.795 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000524563887 1196605862 /nfs/dbraw/zinc/60/58/62/1196605862.db2.gz MTERLMRAWLGDLE-DLBZAZTESA-N 2 0 395.548 0.374 20 0 GCADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000446050315 1196610336 /nfs/dbraw/zinc/61/03/36/1196610336.db2.gz FTFMJLUVEUJQKK-KRWDZBQOSA-N 2 0 389.544 0.729 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524619480 1196611277 /nfs/dbraw/zinc/61/12/77/1196611277.db2.gz UPIWPVYUVVTEQE-MSOLQXFVSA-N 2 0 397.564 0.321 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000524780257 1196624138 /nfs/dbraw/zinc/62/41/38/1196624138.db2.gz WGBVCZZZOMHHBV-IRXDYDNUSA-N 2 0 388.516 0.902 20 0 GCADRP C[C@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000524780255 1196624172 /nfs/dbraw/zinc/62/41/72/1196624172.db2.gz WGBVCZZZOMHHBV-DLBZAZTESA-N 2 0 388.516 0.902 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC000446737051 1196665782 /nfs/dbraw/zinc/66/57/82/1196665782.db2.gz XYSGCZCWUGODII-UHFFFAOYSA-N 2 0 398.511 0.599 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000525882797 1196720579 /nfs/dbraw/zinc/72/05/79/1196720579.db2.gz GRPRCAZYWOLMNX-UHFFFAOYSA-N 2 0 390.488 0.107 20 0 GCADRP COC(=O)c1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C ZINC000525882447 1196720911 /nfs/dbraw/zinc/72/09/11/1196720911.db2.gz WLWHTBFFNHQRGQ-UHFFFAOYSA-N 2 0 378.473 0.672 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000526075270 1196741040 /nfs/dbraw/zinc/74/10/40/1196741040.db2.gz UDYYZROHJZYPNJ-LJQANCHMSA-N 2 0 377.533 0.853 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000527124266 1196767488 /nfs/dbraw/zinc/76/74/88/1196767488.db2.gz OREBREYYPHWFGN-UHFFFAOYSA-N 2 0 389.500 0.704 20 0 GCADRP CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000527329902 1196780058 /nfs/dbraw/zinc/78/00/58/1196780058.db2.gz SBVFGOJBGKAVKS-CQSZACIVSA-N 2 0 375.473 0.583 20 0 GCADRP CNC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000527373881 1196784371 /nfs/dbraw/zinc/78/43/71/1196784371.db2.gz VTUNVIDILYGSFR-UHFFFAOYSA-N 2 0 397.907 0.590 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@H](C)C1 ZINC000448519521 1196809620 /nfs/dbraw/zinc/80/96/20/1196809620.db2.gz DWNRGEBOOWIOKX-MOPGFXCFSA-N 2 0 383.581 0.748 20 0 GCADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000528451997 1196860127 /nfs/dbraw/zinc/86/01/27/1196860127.db2.gz QAJVSWHUSMYKKD-MIALQEHNSA-N 2 0 394.560 0.743 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000371341304 1196905960 /nfs/dbraw/zinc/90/59/60/1196905960.db2.gz NBKUKXZZHQJHEC-SFHVURJKSA-N 2 0 393.576 0.556 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529376816 1196918453 /nfs/dbraw/zinc/91/84/53/1196918453.db2.gz SUJMTLDNIDAOMD-KRWDZBQOSA-N 2 0 391.516 0.447 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000530881368 1197022891 /nfs/dbraw/zinc/02/28/91/1197022891.db2.gz ZQRPYDNJQHCCPM-UHFFFAOYSA-N 2 0 388.534 0.922 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2cccc(C(=O)OC)n2)CC1 ZINC000451978458 1197028169 /nfs/dbraw/zinc/02/81/69/1197028169.db2.gz FTEPEGOBDFFYGM-UHFFFAOYSA-N 2 0 377.489 0.812 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000451980544 1197029001 /nfs/dbraw/zinc/02/90/01/1197029001.db2.gz HRAQDFLCWVQZJI-UHFFFAOYSA-N 2 0 384.546 0.719 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000451988679 1197030140 /nfs/dbraw/zinc/03/01/40/1197030140.db2.gz PHMNAYVZTBAQIN-QGZVFWFLSA-N 2 0 381.565 0.509 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000531118480 1197047847 /nfs/dbraw/zinc/04/78/47/1197047847.db2.gz BCKFZBPSPPOQED-UHFFFAOYSA-N 2 0 388.509 0.446 20 0 GCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452786332 1197081613 /nfs/dbraw/zinc/08/16/13/1197081613.db2.gz UXFRXOGFKVQEFX-SFHVURJKSA-N 2 0 375.517 0.557 20 0 GCADRP CC(C)N(CCCNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)S(C)(=O)=O ZINC000531642538 1197089777 /nfs/dbraw/zinc/08/97/77/1197089777.db2.gz LBCMKTRVMBWPLC-UHFFFAOYSA-N 2 0 390.594 0.826 20 0 GCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000453812690 1197134752 /nfs/dbraw/zinc/13/47/52/1197134752.db2.gz XIOXPPKKEBMFTG-GOSISDBHSA-N 2 0 376.501 0.692 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000453806892 1197139147 /nfs/dbraw/zinc/13/91/47/1197139147.db2.gz BGQPMKAMZVKEQH-KRWDZBQOSA-N 2 0 392.500 0.529 20 0 GCADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986429883 1197169907 /nfs/dbraw/zinc/16/99/07/1197169907.db2.gz ZUKMNDYORILSRM-YYIAUSFCSA-N 2 0 383.496 0.916 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000174635215 1197181875 /nfs/dbraw/zinc/18/18/75/1197181875.db2.gz QHEUWLYIUUYCCV-IAGOWNOFSA-N 2 0 377.537 0.959 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000177971504 1197192891 /nfs/dbraw/zinc/19/28/91/1197192891.db2.gz QCTGLPRBSIAKPJ-GOSISDBHSA-N 2 0 377.533 0.809 20 0 GCADRP O=C(NC1CC1)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000178593506 1197195547 /nfs/dbraw/zinc/19/55/47/1197195547.db2.gz PMBMEEUBPSTTKK-QZTJIDSGSA-N 2 0 378.517 0.489 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188854333 1197234613 /nfs/dbraw/zinc/23/46/13/1197234613.db2.gz ISQHEQYVBYMSJS-UHFFFAOYSA-N 2 0 382.512 0.993 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)CC2)CC1 ZINC000192201386 1197246310 /nfs/dbraw/zinc/24/63/10/1197246310.db2.gz WVRDHONWZWALQQ-UHFFFAOYSA-N 2 0 394.608 0.681 20 0 GCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812043 1197254808 /nfs/dbraw/zinc/25/48/08/1197254808.db2.gz DIOZOAHSQHHAIG-KRWDZBQOSA-N 2 0 389.544 0.871 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)C1 ZINC000123434474 1197284158 /nfs/dbraw/zinc/28/41/58/1197284158.db2.gz UOFGTWIHIIITCM-QAPCUYQASA-N 2 0 376.501 0.896 20 0 GCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000988319983 1197308425 /nfs/dbraw/zinc/30/84/25/1197308425.db2.gz PJCRYDNTKYMAMK-VQHPVUNQSA-N 2 0 390.532 0.504 20 0 GCADRP COCC[N@H+](C)CCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000171195207 1197314775 /nfs/dbraw/zinc/31/47/75/1197314775.db2.gz OEASAGYAUPUXRJ-UHFFFAOYSA-N 2 0 377.533 0.811 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000332970575 1197348555 /nfs/dbraw/zinc/34/85/55/1197348555.db2.gz AYWAXBMFEZDCDG-ROUUACIJSA-N 2 0 395.548 0.291 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccn1 ZINC000536511814 1197350129 /nfs/dbraw/zinc/35/01/29/1197350129.db2.gz VWZQFECRVCVPQC-UHFFFAOYSA-N 2 0 379.505 0.620 20 0 GCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000536537844 1197355621 /nfs/dbraw/zinc/35/56/21/1197355621.db2.gz QZDCXXMKLLPRCU-FQEVSTJZSA-N 2 0 399.539 0.755 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CCN1c1cc[nH+]cc1 ZINC000897474834 1197365666 /nfs/dbraw/zinc/36/56/66/1197365666.db2.gz CMJVLLCOWAUFEM-DNVCBOLYSA-N 2 0 391.541 0.672 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000418840562 1197367338 /nfs/dbraw/zinc/36/73/38/1197367338.db2.gz FMDKCWPEQNJREK-IEBWSBKVSA-N 2 0 387.528 0.116 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418876866 1197389368 /nfs/dbraw/zinc/38/93/68/1197389368.db2.gz HCZHOLILQUNMAS-QYZOEREBSA-N 2 0 394.560 0.984 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897485936 1197395753 /nfs/dbraw/zinc/39/57/53/1197395753.db2.gz LUGZXGFKRHEQLR-INIZCTEOSA-N 2 0 377.489 0.203 20 0 GCADRP O=C1C[C@]2(CN1)CCC[NH+](CCOCC[N@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000532717388 1197396786 /nfs/dbraw/zinc/39/67/86/1197396786.db2.gz XOLUXKXMUFYPOV-PMACEKPBSA-N 2 0 378.517 0.207 20 0 GCADRP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000194924170 1197399989 /nfs/dbraw/zinc/39/99/89/1197399989.db2.gz HLDAMZJUIDTNLH-HDICACEKSA-N 2 0 385.512 0.393 20 0 GCADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000419197693 1197413160 /nfs/dbraw/zinc/41/31/60/1197413160.db2.gz YFJSNIKEYFJCDR-LJQANCHMSA-N 2 0 388.512 0.639 20 0 GCADRP CO[C@@H]1COCC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454430558 1197413440 /nfs/dbraw/zinc/41/34/40/1197413440.db2.gz SGFKCNQXSUCAPN-IEBWSBKVSA-N 2 0 391.516 0.944 20 0 GCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000454482819 1197417145 /nfs/dbraw/zinc/41/71/45/1197417145.db2.gz OPMFWYPUTMQCSY-SFHVURJKSA-N 2 0 395.548 0.470 20 0 GCADRP CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000532869767 1197418318 /nfs/dbraw/zinc/41/83/18/1197418318.db2.gz ACCLIQKOESWQKJ-UHFFFAOYSA-N 2 0 388.534 0.922 20 0 GCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000245931307 1197439859 /nfs/dbraw/zinc/43/98/59/1197439859.db2.gz QIVBQIDDXNYGNJ-IAGOWNOFSA-N 2 0 386.496 0.355 20 0 GCADRP CN1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000246038197 1197443665 /nfs/dbraw/zinc/44/36/65/1197443665.db2.gz BBLGYWZRVACYJM-OALUTQOASA-N 2 0 387.528 0.773 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066986660 1197468003 /nfs/dbraw/zinc/46/80/03/1197468003.db2.gz LTPWROZFSFNSPT-UHFFFAOYSA-N 2 0 378.521 0.601 20 0 GCADRP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCN(Cc2ccco2)CC1 ZINC000069028617 1197468569 /nfs/dbraw/zinc/46/85/69/1197468569.db2.gz WKSUAACLEVXABL-UHFFFAOYSA-N 2 0 390.528 0.968 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000171300295 1197468633 /nfs/dbraw/zinc/46/86/33/1197468633.db2.gz MHJYRUYDKQACGV-GOSISDBHSA-N 2 0 396.557 0.963 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000073131147 1197470324 /nfs/dbraw/zinc/47/03/24/1197470324.db2.gz OUEKLOBFJJEQBG-IAGOWNOFSA-N 2 0 380.533 0.546 20 0 GCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)COCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000105600312 1197470971 /nfs/dbraw/zinc/47/09/71/1197470971.db2.gz TWZWWYGUPZVZSB-HDICACEKSA-N 2 0 382.549 0.888 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000246571858 1197472796 /nfs/dbraw/zinc/47/27/96/1197472796.db2.gz AAARSLLYRXPXBE-IRXDYDNUSA-N 2 0 380.533 0.282 20 0 GCADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000246681472 1197473190 /nfs/dbraw/zinc/47/31/90/1197473190.db2.gz HEZABBMBYWVDSA-IPMKNSEASA-N 2 0 394.560 0.888 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000246998690 1197474664 /nfs/dbraw/zinc/47/46/64/1197474664.db2.gz OUEKLOBFJJEQBG-IRXDYDNUSA-N 2 0 380.533 0.546 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1=O ZINC000247113722 1197476446 /nfs/dbraw/zinc/47/64/46/1197476446.db2.gz VVPRRYJVPAYTSO-RBUKOAKNSA-N 2 0 393.576 0.415 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000249431504 1197481924 /nfs/dbraw/zinc/48/19/24/1197481924.db2.gz ZESJLHCHGZFFLS-FGTMMUONSA-N 2 0 394.560 0.623 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000249431512 1197482014 /nfs/dbraw/zinc/48/20/14/1197482014.db2.gz ZESJLHCHGZFFLS-OKZBNKHCSA-N 2 0 394.560 0.623 20 0 GCADRP CC(C)[C@H](C(=O)N1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1)[NH+](C)C ZINC000614909063 1197486721 /nfs/dbraw/zinc/48/67/21/1197486721.db2.gz OOXZNGDMSDUVHU-ZWKOTPCHSA-N 2 0 383.581 0.419 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000666796260 1197504798 /nfs/dbraw/zinc/50/47/98/1197504798.db2.gz AYTGNFIELBWMBK-IBGZPJMESA-N 2 0 385.512 0.509 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)C1 ZINC000666796290 1197505231 /nfs/dbraw/zinc/50/52/31/1197505231.db2.gz LFWXWBPYUMUACZ-KRWDZBQOSA-N 2 0 389.500 0.201 20 0 GCADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261935008 1197519903 /nfs/dbraw/zinc/51/99/03/1197519903.db2.gz WSUBXWRBBNXMFU-HOCLYGCPSA-N 2 0 383.418 0.990 20 0 GCADRP C[NH2+]CCC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000262000514 1197522189 /nfs/dbraw/zinc/52/21/89/1197522189.db2.gz PPFBTLLZUIZOGO-UHFFFAOYSA-N 2 0 396.557 0.704 20 0 GCADRP CS(=O)(=O)C1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000262027355 1197522622 /nfs/dbraw/zinc/52/26/22/1197522622.db2.gz BCKCNUPPSOUGSD-KRWDZBQOSA-N 2 0 379.526 0.934 20 0 GCADRP O=C(CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000262225255 1197527729 /nfs/dbraw/zinc/52/77/29/1197527729.db2.gz UVTQTWKITPSRND-UHFFFAOYSA-N 2 0 376.476 0.976 20 0 GCADRP C[N@H+](CCNC(=O)C1CCN(Cc2noc(CN)n2)CC1)Cc1ccccc1 ZINC000262291043 1197528785 /nfs/dbraw/zinc/52/87/85/1197528785.db2.gz WAAXZNNNUZIKQZ-UHFFFAOYSA-N 2 0 386.500 0.989 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c2)C1 ZINC000262794822 1197537575 /nfs/dbraw/zinc/53/75/75/1197537575.db2.gz PANKVCYJLYHXCG-INIZCTEOSA-N 2 0 396.495 0.683 20 0 GCADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428600657 1197550446 /nfs/dbraw/zinc/55/04/46/1197550446.db2.gz NFXUFOMIDBBYGX-QGZVFWFLSA-N 2 0 388.512 0.911 20 0 GCADRP CCC(CC)[C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000428615239 1197554839 /nfs/dbraw/zinc/55/48/39/1197554839.db2.gz XZJGNKDSLMFLFA-RTBURBONSA-N 2 0 394.560 0.794 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672003502 1198999017 /nfs/dbraw/zinc/99/90/17/1198999017.db2.gz LKZGVMADIUCIOV-GOSISDBHSA-N 2 0 376.501 0.414 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000672007964 1199000697 /nfs/dbraw/zinc/00/06/97/1199000697.db2.gz GGYAPINMEVOQEK-KRWDZBQOSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000672010330 1199004699 /nfs/dbraw/zinc/00/46/99/1199004699.db2.gz NJBMEYAYBZHBNB-HKUYNNGSSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000672015323 1199005360 /nfs/dbraw/zinc/00/53/60/1199005360.db2.gz UPUYBJZYPGWTQG-HNNXBMFYSA-N 2 0 391.516 0.485 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672014938 1199006345 /nfs/dbraw/zinc/00/63/45/1199006345.db2.gz PLHHBPSXTSJGCU-HOTGVXAUSA-N 2 0 380.533 0.545 20 0 GCADRP CC[C@H](CN1CCOCC1)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000921704340 1199051115 /nfs/dbraw/zinc/05/11/15/1199051115.db2.gz DCYBPXJLWBHDSK-QGZVFWFLSA-N 2 0 379.505 0.932 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C1CC1 ZINC000672099940 1199087622 /nfs/dbraw/zinc/08/76/22/1199087622.db2.gz VWYUZPAYFKDPRY-UHFFFAOYSA-N 2 0 393.576 0.604 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000672111195 1199110415 /nfs/dbraw/zinc/11/04/15/1199110415.db2.gz CNAJVCGGTCRVNC-IAGOWNOFSA-N 2 0 395.548 0.036 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000627302301 1199115559 /nfs/dbraw/zinc/11/55/59/1199115559.db2.gz HIKNANVNKRAPEQ-KGLIPLIRSA-N 2 0 378.439 0.820 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672203825 1199158553 /nfs/dbraw/zinc/15/85/53/1199158553.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 2 0 393.576 0.604 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672204345 1199159705 /nfs/dbraw/zinc/15/97/05/1199159705.db2.gz LPDQRVYMKYARFI-ROUUACIJSA-N 2 0 379.549 0.215 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH+](C)CC1 ZINC000656288362 1199161156 /nfs/dbraw/zinc/16/11/56/1199161156.db2.gz AYHQHYLJZHJBDR-QYZOEREBSA-N 2 0 393.576 0.508 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465926067 1199184063 /nfs/dbraw/zinc/18/40/63/1199184063.db2.gz HFSBOLYQNNQZFL-RTBURBONSA-N 2 0 381.565 0.645 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465927855 1199185103 /nfs/dbraw/zinc/18/51/03/1199185103.db2.gz QEJRCGUIUADWTG-HXUWFJFHSA-N 2 0 395.592 0.940 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672307993 1199197762 /nfs/dbraw/zinc/19/77/62/1199197762.db2.gz VNMFJUGYTCYKDP-NVXWUHKLSA-N 2 0 378.517 0.299 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)Cc2ccccc2C1 ZINC000672309419 1199201607 /nfs/dbraw/zinc/20/16/07/1199201607.db2.gz RFLBODUYVGWDGO-LJQANCHMSA-N 2 0 384.524 0.802 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccn1 ZINC000672310781 1199202601 /nfs/dbraw/zinc/20/26/01/1199202601.db2.gz HXUBXXSLMQJINU-KRWDZBQOSA-N 2 0 389.500 0.239 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000672313347 1199204964 /nfs/dbraw/zinc/20/49/64/1199204964.db2.gz LZNLFWVCIFCVPP-KRWDZBQOSA-N 2 0 380.533 0.738 20 0 GCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465946885 1199211942 /nfs/dbraw/zinc/21/19/42/1199211942.db2.gz GTEWXSOIYRMKTQ-KRWDZBQOSA-N 2 0 390.532 0.742 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949025 1199216840 /nfs/dbraw/zinc/21/68/40/1199216840.db2.gz MMTBYZIKMJUUKH-IAGOWNOFSA-N 2 0 383.537 0.326 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000465952342 1199217489 /nfs/dbraw/zinc/21/74/89/1199217489.db2.gz OJMPMUNLGJJFFS-SFHVURJKSA-N 2 0 395.548 0.328 20 0 GCADRP NC(=O)CCC1CC[NH+](CC2(C[NH+]3CCC(CCC(N)=O)CC3)COC2)CC1 ZINC000542968795 1199226222 /nfs/dbraw/zinc/22/62/22/1199226222.db2.gz CNBPWKGRGVVIEY-UHFFFAOYSA-N 2 0 394.560 0.958 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672637816 1199290368 /nfs/dbraw/zinc/29/03/68/1199290368.db2.gz CUKKXEIDGBRUIM-AEFFLSMTSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639539 1199291154 /nfs/dbraw/zinc/29/11/54/1199291154.db2.gz QDZJWBRFJIVVFR-MSOLQXFVSA-N 2 0 391.560 0.215 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639407 1199293144 /nfs/dbraw/zinc/29/31/44/1199293144.db2.gz BZTOXRNUJCDBCZ-SJORKVTESA-N 2 0 379.549 0.262 20 0 GCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672639076 1199293567 /nfs/dbraw/zinc/29/35/67/1199293567.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 2 0 379.549 0.119 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640205 1199296294 /nfs/dbraw/zinc/29/62/94/1199296294.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 2 0 393.576 0.461 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297894 /nfs/dbraw/zinc/29/78/94/1199297894.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 2 0 393.576 0.604 20 0 GCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672641184 1199298212 /nfs/dbraw/zinc/29/82/12/1199298212.db2.gz MVUBACAVVBULLU-KRWDZBQOSA-N 2 0 379.549 0.260 20 0 GCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640632 1199298583 /nfs/dbraw/zinc/29/85/83/1199298583.db2.gz DYUADZDRMYOXQB-FUHWJXTLSA-N 2 0 393.576 0.460 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643002 1199306113 /nfs/dbraw/zinc/30/61/13/1199306113.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 2 0 377.533 0.013 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672695615 1199314748 /nfs/dbraw/zinc/31/47/48/1199314748.db2.gz NGVFRSDJJJARHY-ZWKOTPCHSA-N 2 0 379.549 0.215 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000672693404 1199317668 /nfs/dbraw/zinc/31/76/68/1199317668.db2.gz VYMXQSZBZNFULY-NZSAHSFTSA-N 2 0 394.560 0.861 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672692647 1199317768 /nfs/dbraw/zinc/31/77/68/1199317768.db2.gz HIHOPNDJQWGLLR-MJGOQNOKSA-N 2 0 393.576 0.604 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000672699075 1199318281 /nfs/dbraw/zinc/31/82/81/1199318281.db2.gz XVRUEXMDTYHWIJ-INIZCTEOSA-N 2 0 389.500 0.729 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466001433 1199334382 /nfs/dbraw/zinc/33/43/82/1199334382.db2.gz XDXCMHICZPWJDI-MSOLQXFVSA-N 2 0 381.565 0.670 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC[C@@H]21 ZINC000673014776 1199394215 /nfs/dbraw/zinc/39/42/15/1199394215.db2.gz XMEOERWNPKVOJY-LMMKCTJWSA-N 2 0 392.544 0.546 20 0 GCADRP COC1CC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000673158387 1199460357 /nfs/dbraw/zinc/46/03/57/1199460357.db2.gz JZAKOXSILPPWGB-ALOPSCKCSA-N 2 0 395.548 0.480 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627342671 1199466382 /nfs/dbraw/zinc/46/63/82/1199466382.db2.gz MOKQKTDRZXLRFV-SJLPKXTDSA-N 2 0 376.501 0.447 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224136 1199488147 /nfs/dbraw/zinc/48/81/47/1199488147.db2.gz KKTCWSOXNSGCMP-SJLPKXTDSA-N 2 0 395.592 0.706 20 0 GCADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000627346261 1199496206 /nfs/dbraw/zinc/49/62/06/1199496206.db2.gz KLDQDOWDYSFIIY-AWEZNQCLSA-N 2 0 379.480 0.562 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000265826412 1199496253 /nfs/dbraw/zinc/49/62/53/1199496253.db2.gz WQWWUZYQEPRVJC-QGZVFWFLSA-N 2 0 389.500 0.715 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000673307631 1199531937 /nfs/dbraw/zinc/53/19/37/1199531937.db2.gz BPCQWKPQNWGSHO-MOPGFXCFSA-N 2 0 393.576 0.606 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673337176 1199548517 /nfs/dbraw/zinc/54/85/17/1199548517.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 2 0 381.565 0.461 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673337140 1199550258 /nfs/dbraw/zinc/55/02/58/1199550258.db2.gz HUMAJKXBGFCUAN-QZTJIDSGSA-N 2 0 382.549 0.719 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627350917 1199557962 /nfs/dbraw/zinc/55/79/62/1199557962.db2.gz FSHNIYPRUNVWEA-QZTJIDSGSA-N 2 0 376.501 0.160 20 0 GCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000673427676 1199630498 /nfs/dbraw/zinc/63/04/98/1199630498.db2.gz GRMBHUGKXJPGCN-IAGOWNOFSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000673427467 1199631849 /nfs/dbraw/zinc/63/18/49/1199631849.db2.gz MAPSKEOPGGXDJA-KRWDZBQOSA-N 2 0 389.500 0.347 20 0 GCADRP COC(CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000543328408 1199657955 /nfs/dbraw/zinc/65/79/55/1199657955.db2.gz IOVSVVPZIVHVAT-QBPKDAKJSA-N 2 0 382.549 0.979 20 0 GCADRP CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000657613322 1199691751 /nfs/dbraw/zinc/69/17/51/1199691751.db2.gz YJLOGQKUZKTTRJ-UHFFFAOYSA-N 2 0 385.472 0.565 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583414 1199826314 /nfs/dbraw/zinc/82/63/14/1199826314.db2.gz LOMAHNQJFNBWRC-OWYHZJEWSA-N 2 0 392.544 0.423 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000673585319 1199829057 /nfs/dbraw/zinc/82/90/57/1199829057.db2.gz ZUZWOZQVUCFHCJ-QRQLOZEOSA-N 2 0 392.544 0.425 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673583540 1199829425 /nfs/dbraw/zinc/82/94/25/1199829425.db2.gz AJAJAUINNYGVAF-NJAFHUGGSA-N 2 0 380.533 0.471 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000673585362 1199831891 /nfs/dbraw/zinc/83/18/91/1199831891.db2.gz JUSFVPJGDVWWMK-ZWKOTPCHSA-N 2 0 380.533 0.425 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925895 /nfs/dbraw/zinc/92/58/95/1199925895.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 2 0 386.540 0.908 20 0 GCADRP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1S(N)(=O)=O ZINC000673668884 1199926034 /nfs/dbraw/zinc/92/60/34/1199926034.db2.gz BTRSHXFDHAFUQM-QGZVFWFLSA-N 2 0 394.541 0.883 20 0 GCADRP O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673872075 1199963584 /nfs/dbraw/zinc/96/35/84/1199963584.db2.gz IHKJDSXNXSMZTF-ROUUACIJSA-N 2 0 392.504 0.278 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1C ZINC000674030866 1200127837 /nfs/dbraw/zinc/12/78/37/1200127837.db2.gz OVSUTRGKBURVAI-QRVBRYPASA-N 2 0 381.565 0.907 20 0 GCADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000625666206 1200130947 /nfs/dbraw/zinc/13/09/47/1200130947.db2.gz NZRNWLWDFKKFQA-HBMCJLEFSA-N 2 0 386.540 0.855 20 0 GCADRP COC1CC[NH+](CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000674326670 1200221011 /nfs/dbraw/zinc/22/10/11/1200221011.db2.gz KEDRUDVSGXEDSC-UHFFFAOYSA-N 2 0 390.532 0.743 20 0 GCADRP COC1CC[NH+](CCNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000674329209 1200222436 /nfs/dbraw/zinc/22/24/36/1200222436.db2.gz TULSEDUYQINACR-UHFFFAOYSA-N 2 0 390.532 0.743 20 0 GCADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000674328963 1200222572 /nfs/dbraw/zinc/22/25/72/1200222572.db2.gz VQNOQVODWDXRTG-KRWDZBQOSA-N 2 0 383.537 0.339 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000173954237 1200379637 /nfs/dbraw/zinc/37/96/37/1200379637.db2.gz PHCHFPYZHWHLFH-UHFFFAOYSA-N 2 0 377.493 0.217 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOC(C)C)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001129003864 1200408554 /nfs/dbraw/zinc/40/85/54/1200408554.db2.gz JUWRLYYUWAJNJX-MLHJIOFPSA-N 2 0 378.521 0.775 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000676169715 1200504631 /nfs/dbraw/zinc/50/46/31/1200504631.db2.gz YZYYLHJTHSPTTB-YDZRNGNQSA-N 2 0 380.533 0.605 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000676168886 1200504787 /nfs/dbraw/zinc/50/47/87/1200504787.db2.gz RLTHJKZSNPLUBY-YSTOQKLRSA-N 2 0 394.560 0.995 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000676169713 1200505026 /nfs/dbraw/zinc/50/50/26/1200505026.db2.gz YZYYLHJTHSPTTB-AKHDSKFASA-N 2 0 380.533 0.605 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)n2)CC1 ZINC000584875562 1200672399 /nfs/dbraw/zinc/67/23/99/1200672399.db2.gz JYVCOXAFAGSICG-UHFFFAOYSA-N 2 0 390.532 1.421 20 0 GCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369483798 1200686707 /nfs/dbraw/zinc/68/67/07/1200686707.db2.gz JUKMLMQFFWIJSM-HNNXBMFYSA-N 2 0 376.505 0.936 20 0 GCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448484614 1200687161 /nfs/dbraw/zinc/68/71/61/1200687161.db2.gz SYIHOZRLIUYWSW-INIZCTEOSA-N 2 0 378.521 1.012 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000507207597 1200713292 /nfs/dbraw/zinc/71/32/92/1200713292.db2.gz FRVVRTLHWCWQDR-INIZCTEOSA-N 2 0 386.456 0.679 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000477024201 1200776521 /nfs/dbraw/zinc/77/65/21/1200776521.db2.gz AKGMSWLDYRCHJG-INIZCTEOSA-N 2 0 381.565 0.508 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000477063633 1200810660 /nfs/dbraw/zinc/81/06/60/1200810660.db2.gz IXNZFERRPRZPQF-RYQLBKOJSA-N 2 0 382.549 0.717 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000477069412 1200813650 /nfs/dbraw/zinc/81/36/50/1200813650.db2.gz QUSAIKNIJXUAON-FGTMMUONSA-N 2 0 381.565 0.317 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000477069414 1200814152 /nfs/dbraw/zinc/81/41/52/1200814152.db2.gz QUSAIKNIJXUAON-SQNIBIBYSA-N 2 0 381.565 0.317 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000477103805 1200825011 /nfs/dbraw/zinc/82/50/11/1200825011.db2.gz XQTUPRCVOJEHEH-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCC[C@H]([NH+](C)C)C3)O2)C1 ZINC000189030217 1200850118 /nfs/dbraw/zinc/85/01/18/1200850118.db2.gz FPWWWNSUXJOVBV-XLAORIBOSA-N 2 0 380.533 0.639 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000441736709 1200863823 /nfs/dbraw/zinc/86/38/23/1200863823.db2.gz BQAAPXQSQNEDPM-IAGOWNOFSA-N 2 0 398.467 0.700 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000370595110 1200890169 /nfs/dbraw/zinc/89/01/69/1200890169.db2.gz YQMMWCKBKLANJF-INIZCTEOSA-N 2 0 376.505 1.031 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000370595111 1200890538 /nfs/dbraw/zinc/89/05/38/1200890538.db2.gz YQMMWCKBKLANJF-MRXNPFEDSA-N 2 0 376.505 1.031 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000504614831 1200900128 /nfs/dbraw/zinc/90/01/28/1200900128.db2.gz PRPBNPNZRRRWBT-INIZCTEOSA-N 2 0 393.536 0.817 20 0 GCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[C@H]1C(C)C ZINC000429373421 1200914947 /nfs/dbraw/zinc/91/49/47/1200914947.db2.gz RPHYMZITQUPSJW-AOIWGVFYSA-N 2 0 383.533 0.979 20 0 GCADRP [NH3+]CC(C[NH3+])NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000923354796 1200964617 /nfs/dbraw/zinc/96/46/17/1200964617.db2.gz SIJRYPRPQMOEQP-UHFFFAOYSA-N 3 0 396.539 0.823 20 0 GCADRP O=C1N[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923378180 1200973415 /nfs/dbraw/zinc/97/34/15/1200973415.db2.gz BZTPHHAFISQLMZ-QRQLOZEOSA-N 2 0 392.475 0.786 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC3(CC[NH+](CC(=O)NC)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C ZINC001079243217 1201251494 /nfs/dbraw/zinc/25/14/94/1201251494.db2.gz SEIGGEMRGZPHCA-WNRNVDISSA-N 2 0 392.544 0.402 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2OC)CC[N@@H+]1C ZINC001081700081 1201301610 /nfs/dbraw/zinc/30/16/10/1201301610.db2.gz NBLITCXWDHLTQV-BSDSXHPESA-N 2 0 380.533 0.545 20 0 GCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082520168 1201336080 /nfs/dbraw/zinc/33/60/80/1201336080.db2.gz FDPFWGZEBCGRST-RRCSTGOVSA-N 2 0 383.514 0.960 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(=O)n4nccc4[nH]3)C2)CC[N@@H+]1C ZINC001082522330 1201337077 /nfs/dbraw/zinc/33/70/77/1201337077.db2.gz AXSCGVZAOCKDOX-XLNGHYISSA-N 2 0 386.500 0.689 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]32)CC[N@@H+]1C ZINC001083087463 1201383792 /nfs/dbraw/zinc/38/37/92/1201383792.db2.gz KZVTYQCCJCYFCS-ZSYWTGECSA-N 2 0 375.517 0.605 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001085204862 1201634522 /nfs/dbraw/zinc/63/45/22/1201634522.db2.gz OBQRNTDOHMFTSC-YLFCFFPRSA-N 2 0 378.517 0.883 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2nnnn2C(C)(C)C)O1 ZINC001085242584 1201647895 /nfs/dbraw/zinc/64/78/95/1201647895.db2.gz YCPDBCXSNCSNHX-KLHDSHLOSA-N 2 0 393.536 0.664 20 0 GCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734268027 1201648781 /nfs/dbraw/zinc/64/87/81/1201648781.db2.gz UTALSJRHNKDBBD-SFHVURJKSA-N 2 0 381.565 0.955 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000741415836 1201778684 /nfs/dbraw/zinc/77/86/84/1201778684.db2.gz XSLGKMJNYHBLKO-SBHAEUEKSA-N 2 0 388.512 0.786 20 0 GCADRP C[NH+]1CC[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000742567663 1201802022 /nfs/dbraw/zinc/80/20/22/1201802022.db2.gz SRKVBZFTOATQAP-RYUDHWBXSA-N 2 0 382.402 0.393 20 0 GCADRP [NH3+][C@@H]1CCc2nn(-c3ccc(S(=O)(=O)NC4CC[NH2+]CC4)cc3)cc2C1 ZINC001168817341 1201927074 /nfs/dbraw/zinc/92/70/74/1201927074.db2.gz JVVCTTZUUDHPIH-CQSZACIVSA-N 2 0 375.498 0.719 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1nc(CC[NH3+])nc1C ZINC001168986398 1201930327 /nfs/dbraw/zinc/93/03/27/1201930327.db2.gz ZQJWEUBRURSYMV-CQSZACIVSA-N 2 0 390.488 0.578 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001169167749 1201934528 /nfs/dbraw/zinc/93/45/28/1201934528.db2.gz KZYOTIARQBJZOT-HUUCEWRRSA-N 2 0 376.505 0.534 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001169170674 1201937068 /nfs/dbraw/zinc/93/70/68/1201937068.db2.gz ZXLSWYCLFCHRMP-CVEARBPZSA-N 2 0 390.532 0.924 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001169180547 1201937867 /nfs/dbraw/zinc/93/78/67/1201937867.db2.gz HNOGDZDLJCLTAH-ILXRZTDVSA-N 2 0 376.505 0.852 20 0 GCADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389899 1201944905 /nfs/dbraw/zinc/94/49/05/1201944905.db2.gz UCVQSQVSMVVOLN-PKOBYXMFSA-N 2 0 391.512 0.921 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389897 1201944994 /nfs/dbraw/zinc/94/49/94/1201944994.db2.gz UCVQSQVSMVVOLN-MJGOQNOKSA-N 2 0 391.512 0.921 20 0 GCADRP CS(=O)(=O)C1CCC([NH2+]CCCOCCOCCOCCC[NH3+])CC1 ZINC001169856074 1201957948 /nfs/dbraw/zinc/95/79/48/1201957948.db2.gz BWGROSVEVVHGFF-UHFFFAOYSA-N 2 0 380.551 0.721 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945717 1201959970 /nfs/dbraw/zinc/95/99/70/1201959970.db2.gz MZCDPBMZSQPUKS-SFHVURJKSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H]1C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000767612675 1201979485 /nfs/dbraw/zinc/97/94/85/1201979485.db2.gz QUIPDUUIBDOUPD-APWZRJJASA-N 2 0 380.558 0.834 20 0 GCADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485056 1202061311 /nfs/dbraw/zinc/06/13/11/1202061311.db2.gz IHLRFXVLTZDPLZ-OWSLCNJRSA-N 2 0 381.517 0.360 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1 ZINC001109847783 1202134797 /nfs/dbraw/zinc/13/47/97/1202134797.db2.gz HFLCFDSKLZEXFC-XWSJACJDSA-N 2 0 381.517 0.626 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109847902 1202134963 /nfs/dbraw/zinc/13/49/63/1202134963.db2.gz MYQVHOUYBOMLBB-BDXSIMOUSA-N 2 0 378.517 0.347 20 0 GCADRP Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)n1 ZINC001109847972 1202134994 /nfs/dbraw/zinc/13/49/94/1202134994.db2.gz PQMUGDJDUSIKJW-IKGGRYGDSA-N 2 0 377.489 0.754 20 0 GCADRP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771766105 1202161904 /nfs/dbraw/zinc/16/19/04/1202161904.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 2 0 379.549 0.660 20 0 GCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCC(F)(F)F ZINC001110017625 1202175788 /nfs/dbraw/zinc/17/57/88/1202175788.db2.gz FUMAYXUDSMDONC-QPSCCSFWSA-N 2 0 381.439 0.990 20 0 GCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1C(=O)CNC1=O ZINC001110019277 1202176486 /nfs/dbraw/zinc/17/64/86/1202176486.db2.gz PANSTQYORUEVTK-PMPSAXMXSA-N 2 0 379.505 0.382 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613628 1205395181 /nfs/dbraw/zinc/39/51/81/1205395181.db2.gz AUOLLPGTNADBRJ-GUDVDZBRSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000790376101 1205463788 /nfs/dbraw/zinc/46/37/88/1205463788.db2.gz VNLGWLMEJLJCQO-YFVAEKQCSA-N 2 0 391.560 0.818 20 0 GCADRP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccnc(N2CC[NH2+]CC2)n1 ZINC001170161228 1205482222 /nfs/dbraw/zinc/48/22/22/1205482222.db2.gz FIVMLZCGWAVUPT-UHFFFAOYSA-N 2 0 382.472 0.754 20 0 GCADRP COc1cnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])nc1 ZINC001170391478 1205491307 /nfs/dbraw/zinc/49/13/07/1205491307.db2.gz YRBBZLYAJRPDSS-KISBBLTOSA-N 2 0 397.520 0.759 20 0 GCADRP Cc1ccc[n+]([O-])c1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389725 1205491328 /nfs/dbraw/zinc/49/13/28/1205491328.db2.gz CYKTTXCYCMRVGX-QAGGRKNESA-N 2 0 396.532 0.902 20 0 GCADRP Cn1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001170390120 1205491338 /nfs/dbraw/zinc/49/13/38/1205491338.db2.gz HMXYWNSFTDIWRF-WRHRSQKMSA-N 2 0 397.520 0.054 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc[n+]2[O-])[C@@H](O)OC(C)(C)C)C1 ZINC001170389384 1205491346 /nfs/dbraw/zinc/49/13/46/1205491346.db2.gz CPSPMRDJRZAYKW-OIDVLUPKSA-N 2 0 382.505 0.593 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cncc(N)c2)[C@H](O)OC(C)(C)C)C1 ZINC001170391552 1205491356 /nfs/dbraw/zinc/49/13/56/1205491356.db2.gz MPZMCWRTYPILNF-IYXGVVJKSA-N 2 0 381.521 0.937 20 0 GCADRP COc1cnnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170388089 1205491380 /nfs/dbraw/zinc/49/13/80/1205491380.db2.gz JBDZFFGQYODOHW-GIVGJKMXSA-N 2 0 397.520 0.759 20 0 GCADRP Cn1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc1=O ZINC001170392297 1205491525 /nfs/dbraw/zinc/49/15/25/1205491525.db2.gz GGCQTUYISNTKOR-MUMMTRGTSA-N 2 0 396.532 0.659 20 0 GCADRP C[n+]1cccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170397084 1205491526 /nfs/dbraw/zinc/49/15/26/1205491526.db2.gz FRNLKQQFZSLSNA-XFUTXVRSSA-N 3 0 381.541 0.785 20 0 GCADRP Cn1c(=O)cccc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392708 1205491550 /nfs/dbraw/zinc/49/15/50/1205491550.db2.gz QCLQISQCBPUQFH-UNTXSKPGSA-N 2 0 396.532 0.659 20 0 GCADRP Cn1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ccc1=O ZINC001170397346 1205491566 /nfs/dbraw/zinc/49/15/66/1205491566.db2.gz VCLXHJVKWFPOGZ-KWFCSAJOSA-N 2 0 396.532 0.659 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000793728561 1205503538 /nfs/dbraw/zinc/50/35/38/1205503538.db2.gz VLMSRWKVFAEUIM-SFHVURJKSA-N 2 0 393.576 0.463 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000793721078 1205503584 /nfs/dbraw/zinc/50/35/84/1205503584.db2.gz SNQXAFAYBFBPSS-IAGOWNOFSA-N 2 0 380.533 0.689 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000793696668 1205503980 /nfs/dbraw/zinc/50/39/80/1205503980.db2.gz HFGHNIBOZLCKBA-QGZVFWFLSA-N 2 0 381.565 0.461 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000793702053 1205504255 /nfs/dbraw/zinc/50/42/55/1205504255.db2.gz RXPSMYCTYWTJPA-MSOLQXFVSA-N 2 0 379.549 0.215 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701018 1205504293 /nfs/dbraw/zinc/50/42/93/1205504293.db2.gz NNUWPQKBZKTRCT-PKOBYXMFSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000793700214 1205504308 /nfs/dbraw/zinc/50/43/08/1205504308.db2.gz MKEOJKUPKFKQHQ-MRXNPFEDSA-N 2 0 391.516 0.629 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000793705573 1205504656 /nfs/dbraw/zinc/50/46/56/1205504656.db2.gz FJXHWSKPTBRHRF-QYZOEREBSA-N 2 0 393.576 0.461 20 0 GCADRP CC[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000804379709 1205515110 /nfs/dbraw/zinc/51/51/10/1205515110.db2.gz OWTIGAWPITVZHQ-ROUUACIJSA-N 2 0 398.548 0.125 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129849921 1205520937 /nfs/dbraw/zinc/52/09/37/1205520937.db2.gz BRZYWVVFRNJSDJ-MANSERQUSA-N 2 0 390.532 0.919 20 0 GCADRP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857840 1205521227 /nfs/dbraw/zinc/52/12/27/1205521227.db2.gz HCXGQFHYDPLHPR-TVFCKZIOSA-N 2 0 378.521 0.777 20 0 GCADRP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857707 1205521305 /nfs/dbraw/zinc/52/13/05/1205521305.db2.gz FNHIJRUDMPMFFF-TVFCKZIOSA-N 2 0 378.521 0.775 20 0 GCADRP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912606 1205522936 /nfs/dbraw/zinc/52/29/36/1205522936.db2.gz RCGXOXXQJCWDKI-JMXBOANYSA-N 2 0 376.505 0.695 20 0 GCADRP Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000806239417 1205552538 /nfs/dbraw/zinc/55/25/38/1205552538.db2.gz PHEBGZAUCVAFSD-KRWDZBQOSA-N 2 0 376.505 0.230 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806502852 1205557841 /nfs/dbraw/zinc/55/78/41/1205557841.db2.gz JDLJXKMMOPDZNO-NEWSRXKRSA-N 2 0 393.576 0.602 20 0 GCADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994405 1205585068 /nfs/dbraw/zinc/58/50/68/1205585068.db2.gz YYLAGEOXLZUWBH-QBPKDAKJSA-N 2 0 390.532 0.171 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747470631 1205604279 /nfs/dbraw/zinc/60/42/79/1205604279.db2.gz NHSKCKIRGOCJRQ-INIZCTEOSA-N 2 0 381.521 0.393 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000808344762 1205605733 /nfs/dbraw/zinc/60/57/33/1205605733.db2.gz WYBAHHUSZVKREK-BPQIPLTHSA-N 2 0 380.533 0.471 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809960131 1205632258 /nfs/dbraw/zinc/63/22/58/1205632258.db2.gz VLFHVUBGJGQLMU-IBGZPJMESA-N 2 0 386.537 0.652 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170774670 1205697227 /nfs/dbraw/zinc/69/72/27/1205697227.db2.gz MMYRABWLWJHGRH-BPUTZDHNSA-N 2 0 380.489 0.179 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170774671 1205697295 /nfs/dbraw/zinc/69/72/95/1205697295.db2.gz MMYRABWLWJHGRH-CWRNSKLLSA-N 2 0 380.489 0.179 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172017708 1205711684 /nfs/dbraw/zinc/71/16/84/1205711684.db2.gz YTRUBSGOGBZRRI-SFHVURJKSA-N 2 0 391.560 0.310 20 0 GCADRP COC(=O)[C@H](CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)CNC(C)=O ZINC001172112795 1205713259 /nfs/dbraw/zinc/71/32/59/1205713259.db2.gz FGHXERYHWLPOFE-FJIDUMEYSA-N 2 0 396.532 0.556 20 0 GCADRP COCCC[NH+]1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001172248048 1205714838 /nfs/dbraw/zinc/71/48/38/1205714838.db2.gz VAJQROGCTIKSTL-UHFFFAOYSA-N 3 0 391.553 0.102 20 0 GCADRP COC(=O)[C@H]1C[C@@H](NC(=[NH2+])NCCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001173484448 1205721250 /nfs/dbraw/zinc/72/12/50/1205721250.db2.gz ABJFRPRRNOHADT-JKSUJKDBSA-N 2 0 375.473 0.686 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cc[nH]n2)[C@H](O)OC(C)(C)C)C1 ZINC001175762213 1205741066 /nfs/dbraw/zinc/74/10/66/1205741066.db2.gz QIMDXQZJMQBGQJ-LZDZAVHKSA-N 2 0 397.520 0.248 20 0 GCADRP CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N(CCCC[NH3+])C(N)=[NH2+])=NO2)C1 ZINC001179209806 1205804971 /nfs/dbraw/zinc/80/49/71/1205804971.db2.gz WNRQBWAKBHLGCW-QGZVFWFLSA-N 2 0 382.465 0.603 20 0 GCADRP CCC1=NC2(CCC(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC2)C(=O)N1CCOC ZINC001179715552 1205813608 /nfs/dbraw/zinc/81/36/08/1205813608.db2.gz LLMNJIUZOJWIHG-UHFFFAOYSA-N 2 0 394.520 0.673 20 0 GCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001180406798 1205824776 /nfs/dbraw/zinc/82/47/76/1205824776.db2.gz PNUMTQHTBXGBII-ZWKOTPCHSA-N 2 0 395.463 0.703 20 0 GCADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180609377 1205828291 /nfs/dbraw/zinc/82/82/91/1205828291.db2.gz UKZBNVJLHAWLCV-UHFFFAOYSA-N 2 0 390.532 0.722 20 0 GCADRP NC(=O)C1CC[NH+](CCC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)CC1 ZINC001180609755 1205828534 /nfs/dbraw/zinc/82/85/34/1205828534.db2.gz XNJRLIVKNXDONI-RBUKOAKNSA-N 2 0 385.512 0.844 20 0 GCADRP NC(=O)C1CC[NH+](CCC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC1 ZINC001180610962 1205828640 /nfs/dbraw/zinc/82/86/40/1205828640.db2.gz PBNXJJPLZFWFDS-UHFFFAOYSA-N 2 0 399.495 0.430 20 0 GCADRP C[C@H](O)CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181356009 1205842561 /nfs/dbraw/zinc/84/25/61/1205842561.db2.gz IUVRTGNRQSIAQH-OCKGCPIVSA-N 2 0 375.510 0.053 20 0 GCADRP COC(=O)[C@H]1C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCN1C(=O)OC(C)(C)C ZINC001181490004 1205844809 /nfs/dbraw/zinc/84/48/09/1205844809.db2.gz UDCSKIWXZPLXEP-QWHCGFSZSA-N 2 0 399.492 0.636 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C13CC[NH+](CC1)CC3)CC2 ZINC001181548989 1205846192 /nfs/dbraw/zinc/84/61/92/1205846192.db2.gz JBFDQQAYHRVTIY-UHFFFAOYSA-N 2 0 375.473 0.337 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001181996357 1205852778 /nfs/dbraw/zinc/85/27/78/1205852778.db2.gz PKZNKIOQOQSCQA-SFHVURJKSA-N 2 0 393.576 0.558 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)CC1 ZINC001182031525 1205853888 /nfs/dbraw/zinc/85/38/88/1205853888.db2.gz NPEAITMQMCYKER-UHFFFAOYSA-N 2 0 385.472 0.156 20 0 GCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C3(O)CC[NH+](C)CC3)CC2)CC1 ZINC001182031095 1205853943 /nfs/dbraw/zinc/85/39/43/1205853943.db2.gz LQKDCOBQPYKWLV-UHFFFAOYSA-N 2 0 381.517 0.709 20 0 GCADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)C2(O)CC[NH+](C)CC2)S(C)(=O)=O)c(F)c1 ZINC001182037137 1205854332 /nfs/dbraw/zinc/85/43/32/1205854332.db2.gz WJIPOSBRIRHQGO-SNVBAGLBSA-N 2 0 391.440 0.734 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001182009801 1205854532 /nfs/dbraw/zinc/85/45/32/1205854532.db2.gz BDRXLWZZESNHDO-CQSZACIVSA-N 2 0 375.473 0.193 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1CN(C(=O)c2ccccc2OC)C1 ZINC001182232046 1205860861 /nfs/dbraw/zinc/86/08/61/1205860861.db2.gz JTIRXKYPVXABJJ-UHFFFAOYSA-N 2 0 375.473 0.831 20 0 GCADRP CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001182298706 1205863346 /nfs/dbraw/zinc/86/33/46/1205863346.db2.gz UDTYIVXBDCUROB-CQSZACIVSA-N 2 0 378.477 0.793 20 0 GCADRP CCOC(=O)c1sc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1C ZINC001184943448 1205915297 /nfs/dbraw/zinc/91/52/97/1205915297.db2.gz TTYQBCSIIUDLJS-UHFFFAOYSA-N 2 0 392.547 0.742 20 0 GCADRP CO[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCN2C)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001185252716 1205919250 /nfs/dbraw/zinc/91/92/50/1205919250.db2.gz UCAAJAXKVWYMHB-ZGXWSNOMSA-N 2 0 387.528 0.375 20 0 GCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC(COCC[NH+]3CCCC3)CC2)C1 ZINC001186098938 1205934786 /nfs/dbraw/zinc/93/47/86/1205934786.db2.gz HSGSOGWJNYMWEP-SFHVURJKSA-N 2 0 381.517 0.832 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001187319696 1205961138 /nfs/dbraw/zinc/96/11/38/1205961138.db2.gz ZLOHKQDFLYCIJG-CQSZACIVSA-N 2 0 384.525 0.601 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001187742747 1205968333 /nfs/dbraw/zinc/96/83/33/1205968333.db2.gz VOJRBOZJXDPCFD-ACMLMGIUSA-N 2 0 383.493 0.319 20 0 GCADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958211 1205972165 /nfs/dbraw/zinc/97/21/65/1205972165.db2.gz KRNXOTZCSUJASX-YYIAUSFCSA-N 2 0 386.562 0.189 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)NC(C)C)C[C@H]32)CC[N@@H+]1C ZINC001187971222 1205972659 /nfs/dbraw/zinc/97/26/59/1205972659.db2.gz FHKSRTCCJXWMKA-WNRNVDISSA-N 2 0 379.549 0.957 20 0 GCADRP Cc1n[nH]cc1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001188061584 1205974965 /nfs/dbraw/zinc/97/49/65/1205974965.db2.gz IZIPQQGXVYVYJH-XEQYVGRISA-N 2 0 397.520 0.627 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1c(I)cnn1C ZINC001188475748 1205983837 /nfs/dbraw/zinc/98/38/37/1205983837.db2.gz OTAKBZMHYVSFLQ-UHFFFAOYSA-N 2 0 392.245 0.702 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001188582732 1205988099 /nfs/dbraw/zinc/98/80/99/1205988099.db2.gz XFUIWFIIIFEWBE-VLGRORTASA-N 2 0 382.505 0.924 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001189552653 1206009599 /nfs/dbraw/zinc/00/95/99/1206009599.db2.gz VDFJYVVWBSFYHP-PAQTWDICSA-N 2 0 399.492 0.025 20 0 GCADRP O=C1NCCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C12C[NH2+]C2 ZINC001164413101 718879479 /nfs/dbraw/zinc/87/94/79/718879479.db2.gz BBVPKGCGFWGLLD-UHFFFAOYSA-N 2 0 383.830 0.935 20 0 GCADRP [NH3+]C1CCN(c2cccc(N3CCn4c(CN5CCOCC5)nnc4C3)[nH+]2)CC1 ZINC001164681117 719583857 /nfs/dbraw/zinc/58/38/57/719583857.db2.gz UWRAIJQLJVNGLM-UHFFFAOYSA-N 2 0 398.515 0.453 20 0 GCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164689836 719742478 /nfs/dbraw/zinc/74/24/78/719742478.db2.gz LGVCCVOLQZHOEN-UHFFFAOYSA-N 2 0 388.516 0.788 20 0 GCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CC[NH2+]CC3)CCC2 ZINC001164811706 720209673 /nfs/dbraw/zinc/20/96/73/720209673.db2.gz JVASGQQJBJFWGR-UHFFFAOYSA-N 2 0 397.527 0.972 20 0 GCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CC[NH2+]C3)CCC2 ZINC001164814130 720216254 /nfs/dbraw/zinc/21/62/54/720216254.db2.gz SXWNKMYLXGYHME-UHFFFAOYSA-N 2 0 383.500 0.930 20 0 GCADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164740372 720725820 /nfs/dbraw/zinc/72/58/20/720725820.db2.gz KJSJGPCVSVLVND-ROUUACIJSA-N 2 0 395.511 0.965 20 0 GCADRP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737768 720738623 /nfs/dbraw/zinc/73/86/23/720738623.db2.gz CQNKYZCTCRIWHV-MSOLQXFVSA-N 2 0 381.484 0.623 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164848706 720841202 /nfs/dbraw/zinc/84/12/02/720841202.db2.gz AWOCVEMXRKKPIE-IRXDYDNUSA-N 2 0 376.505 0.060 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)CC[C@H]2C1 ZINC001164856077 720865480 /nfs/dbraw/zinc/86/54/80/720865480.db2.gz OJGDDOSSXODAMW-WMZOPIPTSA-N 2 0 390.532 0.578 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@H]3C2)cn1 ZINC001164762682 721080825 /nfs/dbraw/zinc/08/08/25/721080825.db2.gz FFHBNUDWHSDLMH-RBUKOAKNSA-N 2 0 396.543 0.920 20 0 GCADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889747 721391144 /nfs/dbraw/zinc/39/11/44/721391144.db2.gz MAAUJZRDXAFCHD-RXVVDRJESA-N 2 0 386.544 0.888 20 0 GCADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C5C[NH2+]C5)ncn4)C3)O2)CC1 ZINC001164884297 721453627 /nfs/dbraw/zinc/45/36/27/721453627.db2.gz AOZFGKDUFGOFFL-RXVVDRJESA-N 2 0 386.544 0.929 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001571259057 945375529 /nfs/dbraw/zinc/37/55/29/945375529.db2.gz CGGVDSLFWDBWSU-WTTBNOFXSA-N 2 0 385.447 0.646 20 0 GCADRP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001571264469 945484092 /nfs/dbraw/zinc/48/40/92/945484092.db2.gz PDTKKLHVGDBTRB-MRXNPFEDSA-N 2 0 385.472 0.662 20 0 GCADRP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264500 945486220 /nfs/dbraw/zinc/48/62/20/945486220.db2.gz QECVMIMIPHWCLO-LSDHHAIUSA-N 2 0 385.472 0.518 20 0 GCADRP Cc1cc(NC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571272351 945660528 /nfs/dbraw/zinc/66/05/28/945660528.db2.gz SOAMJDFSSAJGOH-KRWDZBQOSA-N 2 0 386.504 0.981 20 0 GCADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571281419 945804374 /nfs/dbraw/zinc/80/43/74/945804374.db2.gz IGRZDOAJARDHLQ-RDJZCZTQSA-N 2 0 387.488 0.524 20 0 GCADRP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000821701957 945834812 /nfs/dbraw/zinc/83/48/12/945834812.db2.gz BPFHNMRGAUHTRA-UHFFFAOYSA-N 2 0 389.504 0.823 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282697 945859519 /nfs/dbraw/zinc/85/95/19/945859519.db2.gz NXCNATIMBCQGDZ-DZGCQCFKSA-N 2 0 387.463 0.896 20 0 GCADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825918710 947370130 /nfs/dbraw/zinc/37/01/30/947370130.db2.gz JSPVGXQZJKFHTL-UHFFFAOYSA-N 2 0 392.533 0.826 20 0 GCADRP O[C@@H](CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C[NH+]1CCCC1 ZINC000826502780 948421245 /nfs/dbraw/zinc/42/12/45/948421245.db2.gz KNLREXZFSRXOAD-IBGZPJMESA-N 2 0 385.516 0.877 20 0 GCADRP CC(C)(C(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573761553 948843749 /nfs/dbraw/zinc/84/37/49/948843749.db2.gz JMVJLMKFQOMIHF-AWEZNQCLSA-N 2 0 384.488 0.818 20 0 GCADRP CC(C)(C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573765210 948900961 /nfs/dbraw/zinc/90/09/61/948900961.db2.gz WLHYQAOWTKGYQO-CQSZACIVSA-N 2 0 384.488 0.961 20 0 GCADRP CC(C)(C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573765209 948902065 /nfs/dbraw/zinc/90/20/65/948902065.db2.gz WLHYQAOWTKGYQO-AWEZNQCLSA-N 2 0 384.488 0.961 20 0 GCADRP CC(C)(C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573771888 948950947 /nfs/dbraw/zinc/95/09/47/948950947.db2.gz NOWNRMVLMHXWOA-INIZCTEOSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574704135 949370053 /nfs/dbraw/zinc/37/00/53/949370053.db2.gz LGFCTTWXODXNDK-AWEZNQCLSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711823 949557688 /nfs/dbraw/zinc/55/76/88/949557688.db2.gz MRENOUYMJBLSBO-CHWSQXEVSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576191381 950193929 /nfs/dbraw/zinc/19/39/29/950193929.db2.gz FQLLENIFBPHMTR-YOEHRIQHSA-N 2 0 387.488 0.117 20 0 GCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574157627 950246424 /nfs/dbraw/zinc/24/64/24/950246424.db2.gz FJHKYAKUVAJDSM-QLFBSQMISA-N 2 0 386.504 0.967 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193287 950290457 /nfs/dbraw/zinc/29/04/57/950290457.db2.gz SCWIHEWAASTYMW-CXAGYDPISA-N 2 0 384.488 0.674 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196463 950368359 /nfs/dbraw/zinc/36/83/59/950368359.db2.gz FALNMWBMMSDRNL-HNNXBMFYSA-N 2 0 387.488 0.119 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576197267 950386301 /nfs/dbraw/zinc/38/63/01/950386301.db2.gz MLULHSPJZXVFOB-OLZOCXBDSA-N 2 0 375.502 0.961 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197395 950391848 /nfs/dbraw/zinc/39/18/48/950391848.db2.gz MVODMEDJMXZGPE-HUUCEWRRSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198016 950405680 /nfs/dbraw/zinc/40/56/80/950405680.db2.gz RBHCXAYRMXWYQE-LSDHHAIUSA-N 2 0 384.488 0.888 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202593 950433934 /nfs/dbraw/zinc/43/39/34/950433934.db2.gz BPGHEDZCSPEGRO-WLYUNCDWSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576204975 950487376 /nfs/dbraw/zinc/48/73/76/950487376.db2.gz DZFGNODELKYRGD-QWHCGFSZSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205404 950516031 /nfs/dbraw/zinc/51/60/31/950516031.db2.gz INIBTVZLCRHFGM-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576217346 950760593 /nfs/dbraw/zinc/76/05/93/950760593.db2.gz GTYCZFCSUSYAEE-XJKSGUPXSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575077417 951668397 /nfs/dbraw/zinc/66/83/97/951668397.db2.gz CLURMTORVRUJHD-JSGCOSHPSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575080710 951715025 /nfs/dbraw/zinc/71/50/25/951715025.db2.gz NDCZKKFJZIAWRB-OLZOCXBDSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081709 951726339 /nfs/dbraw/zinc/72/63/39/951726339.db2.gz RTKFHYBAXPIOQW-TZMCWYRMSA-N 2 0 375.452 0.799 20 0 GCADRP Cc1cc(N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571212542 953089755 /nfs/dbraw/zinc/08/97/55/953089755.db2.gz NCBRYYYEFHLTCH-AWEZNQCLSA-N 2 0 382.472 0.893 20 0 GCADRP Cc1cc(N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571213547 953096772 /nfs/dbraw/zinc/09/67/72/953096772.db2.gz RPTLKNDAEISRMF-UKRRQHHQSA-N 2 0 382.472 0.489 20 0 GCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571250489 953311724 /nfs/dbraw/zinc/31/17/24/953311724.db2.gz QGRGDJAZLANCMU-GOEBONIOSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571251994 953321742 /nfs/dbraw/zinc/32/17/42/953321742.db2.gz DTLZVDDCWMPYOK-CXAGYDPISA-N 2 0 384.488 0.674 20 0 GCADRP Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252095 953323885 /nfs/dbraw/zinc/32/38/85/953323885.db2.gz HAXWZFOQBXJDGM-PBHICJAKSA-N 2 0 384.488 0.879 20 0 GCADRP Cc1cc(N(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252462 953328966 /nfs/dbraw/zinc/32/89/66/953328966.db2.gz NIESBYABCZVVPR-AWEZNQCLSA-N 2 0 384.488 0.949 20 0 GCADRP C[N@H+](CC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571252874 953333585 /nfs/dbraw/zinc/33/35/85/953333585.db2.gz XPWQIOWLGSCWGS-LJQANCHMSA-N 2 0 384.488 0.818 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccnc1OCC(F)F ZINC000624956981 530130569 /nfs/dbraw/zinc/13/05/69/530130569.db2.gz UUOMUBGVKXSGHR-UHFFFAOYSA-N 2 0 380.461 0.839 20 0 GCADRP COC(=O)c1coc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000269891206 530253854 /nfs/dbraw/zinc/25/38/54/530253854.db2.gz BPARJFAOXWGTLG-UHFFFAOYSA-N 2 0 375.491 0.960 20 0 GCADRP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414736019 530322837 /nfs/dbraw/zinc/32/28/37/530322837.db2.gz CNCRIPNRKPLSJS-LBPRGKRZSA-N 2 0 398.305 0.912 20 0 GCADRP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000497293638 530380367 /nfs/dbraw/zinc/38/03/67/530380367.db2.gz MNHGVBKZPSKKFZ-OAHLLOKOSA-N 2 0 375.535 0.147 20 0 GCADRP COc1cc(F)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000591085743 530406048 /nfs/dbraw/zinc/40/60/48/530406048.db2.gz XODOFSRAHRXQEG-UHFFFAOYSA-N 2 0 377.482 0.957 20 0 GCADRP FC(F)(F)[C@@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)N1CC[NH2+]CC1 ZINC000414963353 530460558 /nfs/dbraw/zinc/46/05/58/530460558.db2.gz ASCVJXPQXQNQOU-CYBMUJFWSA-N 2 0 379.452 0.905 20 0 GCADRP C[C@]([NH3+])(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(Br)cc1 ZINC000566497021 530531264 /nfs/dbraw/zinc/53/12/64/530531264.db2.gz WMSBYQAQGPSIQV-HEHGZKQESA-N 2 0 381.274 0.393 20 0 GCADRP COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000327755000 530578161 /nfs/dbraw/zinc/57/81/61/530578161.db2.gz HBSXUDYKNNGZBF-HZPDHXFCSA-N 2 0 375.535 0.616 20 0 GCADRP COC(=O)c1c(F)cccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532775499 530672799 /nfs/dbraw/zinc/67/27/99/530672799.db2.gz WMWMVQGUBXERCJ-UHFFFAOYSA-N 2 0 375.466 0.726 20 0 GCADRP CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@H](C[NH3+])C1 ZINC000579350933 530741672 /nfs/dbraw/zinc/74/16/72/530741672.db2.gz ABEWDJDCIUINMO-HUUCEWRRSA-N 2 0 395.301 0.903 20 0 GCADRP CS[C@@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@H]1[NH+](C)C ZINC000480938115 530773801 /nfs/dbraw/zinc/77/38/01/530773801.db2.gz XJMZXMVRDARNQU-HUUCEWRRSA-N 2 0 389.591 0.728 20 0 GCADRP CS[C@@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@@H]1[NH+](C)C ZINC000480938117 530774025 /nfs/dbraw/zinc/77/40/25/530774025.db2.gz XJMZXMVRDARNQU-LSDHHAIUSA-N 2 0 389.591 0.728 20 0 GCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)CCCN1CCOCC1 ZINC000376949366 530820248 /nfs/dbraw/zinc/82/02/48/530820248.db2.gz OGIRSONNKOKPOV-BRWVUGGUSA-N 2 0 375.535 0.222 20 0 GCADRP CN1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@@H](C[NH3+])C1 ZINC000582903924 530856048 /nfs/dbraw/zinc/85/60/48/530856048.db2.gz RMVRGFRGOQDQGJ-QWHCGFSZSA-N 2 0 395.301 0.903 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000512667908 530944496 /nfs/dbraw/zinc/94/44/96/530944496.db2.gz RVRCDWMCELZNNC-MRXNPFEDSA-N 2 0 376.567 0.726 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000130615458 531071388 /nfs/dbraw/zinc/07/13/88/531071388.db2.gz PDGBJAMFSCNRJI-UHFFFAOYSA-N 2 0 386.294 0.734 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000736767064 598873651 /nfs/dbraw/zinc/87/36/51/598873651.db2.gz KLOSEDTYDRWUIE-UHFFFAOYSA-N 2 0 385.469 0.120 20 0 GCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000736570985 598286005 /nfs/dbraw/zinc/28/60/05/598286005.db2.gz QXKQGXKQROIFTL-AWEZNQCLSA-N 2 0 384.492 0.273 20 0 GCADRP C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000736166889 598700843 /nfs/dbraw/zinc/70/08/43/598700843.db2.gz DBBGIUPRTBQHTD-AWEZNQCLSA-N 2 0 375.477 0.586 20 0 GCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736572646 599488533 /nfs/dbraw/zinc/48/85/33/599488533.db2.gz ZDXOYPAUKKYZGJ-OAHLLOKOSA-N 2 0 383.504 0.878 20 0 GCADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000826045255 607820137 /nfs/dbraw/zinc/82/01/37/607820137.db2.gz STEMSIYQNQAEKY-CYBMUJFWSA-N 2 0 395.475 0.364 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000825865357 608404148 /nfs/dbraw/zinc/40/41/48/608404148.db2.gz AFAJVPQZLYZLSG-UHFFFAOYSA-N 2 0 375.452 0.896 20 0 GCADRP Cn1ncc(I)c1CNCCC[NH+]1CCN(C)CC1 ZINC000894383334 638698176 /nfs/dbraw/zinc/69/81/76/638698176.db2.gz GIWXXWXMIKAWDV-UHFFFAOYSA-N 2 0 377.274 0.752 20 0 GCADRP Cn1ncc(I)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000894764284 638710882 /nfs/dbraw/zinc/71/08/82/638710882.db2.gz GTRBZQZRJAHHRY-UHFFFAOYSA-N 2 0 379.290 0.950 20 0 GCADRP Cc1[nH]nc(I)c1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000896680796 639060304 /nfs/dbraw/zinc/06/03/04/639060304.db2.gz IJNDWOWRMYHUTK-UHFFFAOYSA-N 2 0 393.273 0.888 20 0 GCADRP Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589093 641359873 /nfs/dbraw/zinc/35/98/73/641359873.db2.gz LMCUCUDBSRICNW-CHWSQXEVSA-N 2 0 377.942 0.742 20 0 GCADRP CCOC(=O)CC1(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867589849 641359946 /nfs/dbraw/zinc/35/99/46/641359946.db2.gz MIFXFIZSASQZTL-HUUCEWRRSA-N 2 0 375.535 0.473 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)C[C@H]1C[NH+](C)C ZINC000875002314 641535095 /nfs/dbraw/zinc/53/50/95/641535095.db2.gz XTENAUCBSCFWDS-UPJWGTAASA-N 2 0 379.332 0.494 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[S@@](=O)CC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000875716674 641551529 /nfs/dbraw/zinc/55/15/29/641551529.db2.gz QJDPUBPJWFCTQV-FUIYZNBFSA-N 2 0 386.484 0.678 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCSC1 ZINC000884612283 641787003 /nfs/dbraw/zinc/78/70/03/641787003.db2.gz IRRLCNKVXQEFBG-WDMOLILDSA-N 2 0 382.452 0.136 20 0 GCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000886897660 641850911 /nfs/dbraw/zinc/85/09/11/641850911.db2.gz DZOKCOZHPPWTPT-ZDUSSCGKSA-N 2 0 379.477 0.585 20 0 GCADRP CCOC(=O)C1(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CCC1 ZINC000867123557 642231169 /nfs/dbraw/zinc/23/11/69/642231169.db2.gz BKJGNYFDSIGBPW-UHFFFAOYSA-N 2 0 375.535 0.760 20 0 GCADRP CC[NH+](CC)CCN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000843488448 642373724 /nfs/dbraw/zinc/37/37/24/642373724.db2.gz ZWPPYHZRQHQECD-HOTGVXAUSA-N 2 0 375.535 0.113 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000662960286 1192171256 /nfs/dbraw/zinc/17/12/56/1192171256.db2.gz PPHJGOOJZPIGCL-RTBURBONSA-N 2 0 388.512 0.338 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)[C@H](C[NH3+])C1 ZINC000662983034 1192176904 /nfs/dbraw/zinc/17/69/04/1192176904.db2.gz HRONFHRVAVJHRI-MJGOQNOKSA-N 2 0 394.560 0.923 20 0 GCADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017424 1192186058 /nfs/dbraw/zinc/18/60/58/1192186058.db2.gz JZFRREVSVRMBSC-ZIAGYGMSSA-N 2 0 382.459 0.770 20 0 GCADRP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345960 1192197476 /nfs/dbraw/zinc/19/74/76/1192197476.db2.gz PZPOTCAKMHQINV-CKEIUWERSA-N 2 0 396.513 0.491 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351021 1192202195 /nfs/dbraw/zinc/20/21/95/1192202195.db2.gz GBTDWIFOXKXAFJ-LPHOPBHVSA-N 2 0 394.541 0.444 20 0 GCADRP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652347625 1192200227 /nfs/dbraw/zinc/20/02/27/1192200227.db2.gz HKEUNMVAPDLQDY-CGBFIWBNSA-N 2 0 388.512 0.808 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000423446550 1192218783 /nfs/dbraw/zinc/21/87/83/1192218783.db2.gz OIZABJPCFXNTDU-OAQYLSRUSA-N 2 0 394.560 0.938 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000652468718 1192229204 /nfs/dbraw/zinc/22/92/04/1192229204.db2.gz PERMFLGEDGQZTF-SFHVURJKSA-N 2 0 382.549 0.890 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000652624314 1192257951 /nfs/dbraw/zinc/25/79/51/1192257951.db2.gz GOQZAYVTABYCSH-DLBZAZTESA-N 2 0 392.504 0.128 20 0 GCADRP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662295317 1192278506 /nfs/dbraw/zinc/27/85/06/1192278506.db2.gz YZUBRKKFWPSZER-GOSISDBHSA-N 2 0 388.512 0.879 20 0 GCADRP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(=O)n(C)c1=O ZINC000662318283 1192283067 /nfs/dbraw/zinc/28/30/67/1192283067.db2.gz XSWDJXJMJMYJNE-HUUCEWRRSA-N 2 0 393.532 0.807 20 0 GCADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662339022 1192285020 /nfs/dbraw/zinc/28/50/20/1192285020.db2.gz ZMIWFLGDYHKSPE-AWEZNQCLSA-N 2 0 389.504 0.329 20 0 GCADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662338995 1192285348 /nfs/dbraw/zinc/28/53/48/1192285348.db2.gz YTXKCJWVCYPYLF-QGZVFWFLSA-N 2 0 389.548 0.163 20 0 GCADRP CC[N@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001719828417 1192287958 /nfs/dbraw/zinc/28/79/58/1192287958.db2.gz UJVVJBUTBXPZIJ-MHORFTMASA-N 2 0 380.533 0.545 20 0 GCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000636732576 1192291639 /nfs/dbraw/zinc/29/16/39/1192291639.db2.gz JBYZSCKYLJGGLN-LJQANCHMSA-N 2 0 376.501 0.509 20 0 GCADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662535095 1192312399 /nfs/dbraw/zinc/31/23/99/1192312399.db2.gz CYPUYNDYJAZOEZ-UHFFFAOYSA-N 2 0 377.537 0.505 20 0 GCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662577115 1192313660 /nfs/dbraw/zinc/31/36/60/1192313660.db2.gz DHCVFVQLTMJKDM-GBESFXJTSA-N 2 0 383.496 0.968 20 0 GCADRP [NH3+]C1(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000662577022 1192314382 /nfs/dbraw/zinc/31/43/82/1192314382.db2.gz QDVPOJKADFVXNU-UHFFFAOYSA-N 3 0 397.527 0.926 20 0 GCADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000636834467 1192324905 /nfs/dbraw/zinc/32/49/05/1192324905.db2.gz QRZVLCAFVLNKBP-QRQLOZEOSA-N 2 0 376.501 0.642 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@](C)(C(F)F)O1 ZINC000663537328 1192377580 /nfs/dbraw/zinc/37/75/80/1192377580.db2.gz GTOVDAUXAIJTBZ-GUYCJALGSA-N 2 0 378.464 0.209 20 0 GCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000652671537 1192413547 /nfs/dbraw/zinc/41/35/47/1192413547.db2.gz GPPCANOSTOWIKF-QZTJIDSGSA-N 2 0 380.533 0.376 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000606093031 1192441826 /nfs/dbraw/zinc/44/18/26/1192441826.db2.gz LCYAUDULXWEQPG-UHFFFAOYSA-N 2 0 375.473 0.726 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000663646680 1192447332 /nfs/dbraw/zinc/44/73/32/1192447332.db2.gz OLFCBJROWJSVDZ-PMACEKPBSA-N 2 0 389.544 0.511 20 0 GCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652677595 1192470303 /nfs/dbraw/zinc/47/03/03/1192470303.db2.gz ADHHEJJFWSZFTI-RCCFBDPRSA-N 2 0 380.533 0.579 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)[NH+]1CCC(C)CC1 ZINC000652677882 1192475935 /nfs/dbraw/zinc/47/59/35/1192475935.db2.gz KZJMRYQJAPUXAJ-FCGDIQPGSA-N 2 0 394.560 0.968 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652678155 1192487214 /nfs/dbraw/zinc/48/72/14/1192487214.db2.gz VURMKTDJIPQZNS-YDZRNGNQSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H](CN1CCOCC1)N(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000279251447 1192493739 /nfs/dbraw/zinc/49/37/39/1192493739.db2.gz PLNVSQSDSAGLIX-QGZVFWFLSA-N 2 0 390.532 0.696 20 0 GCADRP COc1cccc(C(=O)N2CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC2)c1 ZINC001167860859 1192510898 /nfs/dbraw/zinc/51/08/98/1192510898.db2.gz YCAPHRBTDNWJLA-UHFFFAOYSA-N 2 0 380.449 0.438 20 0 GCADRP CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000663724682 1192515239 /nfs/dbraw/zinc/51/52/39/1192515239.db2.gz UMVONPOWAZZIFC-UHFFFAOYSA-N 2 0 399.561 0.620 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CSc1nnnn1C1CC1 ZINC000512332371 1192611579 /nfs/dbraw/zinc/61/15/79/1192611579.db2.gz UZGNFIDWYCOYAX-HNNXBMFYSA-N 2 0 381.550 0.975 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418622649 1192618684 /nfs/dbraw/zinc/61/86/84/1192618684.db2.gz VYIMXIFWWMYOID-OAHLLOKOSA-N 2 0 395.470 0.575 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623397 1192621491 /nfs/dbraw/zinc/62/14/91/1192621491.db2.gz XCJRKHKYCQGAPV-GJZGRUSLSA-N 2 0 395.470 0.575 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418752485 1192639928 /nfs/dbraw/zinc/63/99/28/1192639928.db2.gz BVVBSQOKNXBVLH-OTWHNJEPSA-N 2 0 375.517 0.072 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000418764579 1192640553 /nfs/dbraw/zinc/64/05/53/1192640553.db2.gz KTOJSMOISALRCE-LJQANCHMSA-N 2 0 375.517 0.434 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000418793877 1192646005 /nfs/dbraw/zinc/64/60/05/1192646005.db2.gz AVFIIIMBOOKSPJ-IAGOWNOFSA-N 2 0 380.533 0.581 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418797618 1192647609 /nfs/dbraw/zinc/64/76/09/1192647609.db2.gz GIDGDSSTUOUHFW-KRWDZBQOSA-N 2 0 380.533 0.453 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000418797023 1192647687 /nfs/dbraw/zinc/64/76/87/1192647687.db2.gz FWYLYYADSCKFNA-KRWDZBQOSA-N 2 0 394.560 0.971 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418800239 1192648111 /nfs/dbraw/zinc/64/81/11/1192648111.db2.gz ITIDQUFNLVLZLM-ROUUACIJSA-N 2 0 394.560 0.971 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418800240 1192648275 /nfs/dbraw/zinc/64/82/75/1192648275.db2.gz ITIDQUFNLVLZLM-ZWKOTPCHSA-N 2 0 394.560 0.971 20 0 GCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418807134 1192650126 /nfs/dbraw/zinc/65/01/26/1192650126.db2.gz PJTRAZXJPLWZLK-SJORKVTESA-N 2 0 380.533 0.629 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H](C)[NH2+]1 ZINC000418810667 1192651534 /nfs/dbraw/zinc/65/15/34/1192651534.db2.gz UTVJOAFKSTXDFL-IAGOWNOFSA-N 2 0 380.533 0.594 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC(C[NH3+])CC2)[NH+](C)C)cc1OC ZINC000418823260 1192655557 /nfs/dbraw/zinc/65/55/57/1192655557.db2.gz BWXAWRDXELNUPM-INIZCTEOSA-N 2 0 392.500 0.620 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000418831378 1192659594 /nfs/dbraw/zinc/65/95/94/1192659594.db2.gz GEQIPCJGIZYPPD-WBVHZDCISA-N 2 0 390.484 0.134 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[NH+](C)C)cc1OC ZINC000418836197 1192660519 /nfs/dbraw/zinc/66/05/19/1192660519.db2.gz QTNQPMYYCDNCGK-ZFWWWQNUSA-N 2 0 378.473 0.243 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418834379 1192660674 /nfs/dbraw/zinc/66/06/74/1192660674.db2.gz ODUUUQFDTHGIJH-CABCVRRESA-N 2 0 378.473 0.372 20 0 GCADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418837243 1192661204 /nfs/dbraw/zinc/66/12/04/1192661204.db2.gz AAXAETADWDVFQX-HUUCEWRRSA-N 2 0 380.514 0.496 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C)cc1OC ZINC000418839021 1192662513 /nfs/dbraw/zinc/66/25/13/1192662513.db2.gz WKSXDYAZASWVHP-HNNXBMFYSA-N 2 0 394.516 0.866 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000418842138 1192663323 /nfs/dbraw/zinc/66/33/23/1192663323.db2.gz HIXXFZUXRVURAG-OAHLLOKOSA-N 2 0 379.530 0.023 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000418841588 1192663834 /nfs/dbraw/zinc/66/38/34/1192663834.db2.gz GTUWDZHQBQXCFU-MAUKXSAKSA-N 2 0 376.501 0.872 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000418841590 1192664126 /nfs/dbraw/zinc/66/41/26/1192664126.db2.gz GTUWDZHQBQXCFU-YJBOKZPZSA-N 2 0 376.501 0.872 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000418846559 1192665043 /nfs/dbraw/zinc/66/50/43/1192665043.db2.gz YKRZDRWVFAQZCZ-INIZCTEOSA-N 2 0 395.548 0.213 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)[NH+](C)C)c1 ZINC000418847289 1192665107 /nfs/dbraw/zinc/66/51/07/1192665107.db2.gz HTIYHSWHYVOLQN-AITUJVMLSA-N 2 0 388.512 1.000 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418855499 1192668362 /nfs/dbraw/zinc/66/83/62/1192668362.db2.gz DSHDAXUUFDIDEK-INIZCTEOSA-N 2 0 376.526 0.718 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C1 ZINC000418854568 1192669408 /nfs/dbraw/zinc/66/94/08/1192669408.db2.gz BQCBYEBGRIUSMB-ZACQAIPSSA-N 2 0 382.549 0.968 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C1 ZINC000418854566 1192669500 /nfs/dbraw/zinc/66/95/00/1192669500.db2.gz BQCBYEBGRIUSMB-IKGGRYGDSA-N 2 0 382.549 0.968 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418865395 1192669535 /nfs/dbraw/zinc/66/95/35/1192669535.db2.gz RTCVBMRACFSFHI-LJQANCHMSA-N 2 0 387.528 0.131 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCO1 ZINC000418857918 1192669600 /nfs/dbraw/zinc/66/96/00/1192669600.db2.gz IEKSIWWSFCQAER-HUUCEWRRSA-N 2 0 380.514 0.577 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])C1 ZINC000418854567 1192669782 /nfs/dbraw/zinc/66/97/82/1192669782.db2.gz BQCBYEBGRIUSMB-IXDOHACOSA-N 2 0 382.549 0.968 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCO1 ZINC000418857916 1192669831 /nfs/dbraw/zinc/66/98/31/1192669831.db2.gz IEKSIWWSFCQAER-CABCVRRESA-N 2 0 380.514 0.577 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862297 1192671080 /nfs/dbraw/zinc/67/10/80/1192671080.db2.gz AMOXVJXUVSYBRM-IVSAIRAKSA-N 2 0 380.533 0.985 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418874815 1192674054 /nfs/dbraw/zinc/67/40/54/1192674054.db2.gz CJFGWAGXSHHECQ-ROUUACIJSA-N 2 0 376.501 0.359 20 0 GCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418861460 1192671602 /nfs/dbraw/zinc/67/16/02/1192671602.db2.gz MWSUFGKZXPWTGN-RTBURBONSA-N 2 0 387.528 0.164 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])[NH+](C)C)c1 ZINC000418863304 1192671717 /nfs/dbraw/zinc/67/17/17/1192671717.db2.gz PGPXUBOCRRAXOO-JQHSSLGASA-N 2 0 392.500 0.379 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000418863953 1192672444 /nfs/dbraw/zinc/67/24/44/1192672444.db2.gz HOFWVWSRRQANHG-QGZVFWFLSA-N 2 0 395.548 0.071 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418877408 1192674620 /nfs/dbraw/zinc/67/46/20/1192674620.db2.gz ORUSLGDLFOCOJC-RCCFBDPRSA-N 2 0 376.501 0.240 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCCO1 ZINC000418879977 1192675430 /nfs/dbraw/zinc/67/54/30/1192675430.db2.gz OIFOVVQPXNKUPO-QGZVFWFLSA-N 2 0 380.533 0.596 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000418877921 1192676183 /nfs/dbraw/zinc/67/61/83/1192676183.db2.gz PXZSWDVHOSFTSY-RTBURBONSA-N 2 0 388.512 0.857 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)C[C@H]1C[NH3+] ZINC000418919898 1192691298 /nfs/dbraw/zinc/69/12/98/1192691298.db2.gz XVLLVRRUBSWHNB-VQIMIIECSA-N 2 0 388.512 0.578 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000418944038 1192696613 /nfs/dbraw/zinc/69/66/13/1192696613.db2.gz JKWUPQQBJRNPOI-KRWDZBQOSA-N 2 0 390.528 0.980 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000418945639 1192698369 /nfs/dbraw/zinc/69/83/69/1192698369.db2.gz QCSOVZPOOOJMPC-UHFFFAOYSA-N 2 0 376.501 0.591 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957002 1192701521 /nfs/dbraw/zinc/70/15/21/1192701521.db2.gz DAETTYUIUVAJTK-CVEARBPZSA-N 2 0 390.484 0.215 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957005 1192701604 /nfs/dbraw/zinc/70/16/04/1192701604.db2.gz DAETTYUIUVAJTK-JKSUJKDBSA-N 2 0 390.484 0.215 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418960959 1192702518 /nfs/dbraw/zinc/70/25/18/1192702518.db2.gz JJFDJIMADNZEOC-KBAYOESNSA-N 2 0 376.501 0.588 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418968409 1192705183 /nfs/dbraw/zinc/70/51/83/1192705183.db2.gz UHBZWHBBJPMTEU-SJLPKXTDSA-N 2 0 388.512 0.973 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418972566 1192706617 /nfs/dbraw/zinc/70/66/17/1192706617.db2.gz YZTDXLFSNSIFND-GOSISDBHSA-N 2 0 376.501 0.877 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418972567 1192706913 /nfs/dbraw/zinc/70/69/13/1192706913.db2.gz YZTDXLFSNSIFND-SFHVURJKSA-N 2 0 376.501 0.877 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000418995642 1192713206 /nfs/dbraw/zinc/71/32/06/1192713206.db2.gz DCVDNOSSHHFELO-RBUKOAKNSA-N 2 0 388.512 0.863 20 0 GCADRP C[C@H]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000419002291 1192713697 /nfs/dbraw/zinc/71/36/97/1192713697.db2.gz ZHYDDTLXHOBHBP-FUHWJXTLSA-N 2 0 388.512 0.780 20 0 GCADRP C[NH+](C)C1(CNc2nc(NCC3([NH+](C)C)CC3)nc(NC(C)(C)C)n2)CC1 ZINC000419006899 1192714359 /nfs/dbraw/zinc/71/43/59/1192714359.db2.gz IYOGIMMTAFRFKP-UHFFFAOYSA-N 2 0 376.553 0.938 20 0 GCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419014239 1192720381 /nfs/dbraw/zinc/72/03/81/1192720381.db2.gz IEXSYXXCFNORLR-GOSISDBHSA-N 2 0 376.501 0.639 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000419019689 1192722553 /nfs/dbraw/zinc/72/25/53/1192722553.db2.gz QWIJOZKDUCHPAH-IBGZPJMESA-N 2 0 388.512 0.865 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000419019692 1192722720 /nfs/dbraw/zinc/72/27/20/1192722720.db2.gz QWIJOZKDUCHPAH-LJQANCHMSA-N 2 0 388.512 0.865 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419030161 1192729208 /nfs/dbraw/zinc/72/92/08/1192729208.db2.gz SPMHZLATADCCRH-BRWVUGGUSA-N 2 0 395.548 0.069 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419032558 1192733038 /nfs/dbraw/zinc/73/30/38/1192733038.db2.gz WAWMOEVTWLCLSA-RHSMWYFYSA-N 2 0 376.501 0.984 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419034628 1192733695 /nfs/dbraw/zinc/73/36/95/1192733695.db2.gz FXBJCNJGNBVPNU-RTBURBONSA-N 2 0 383.496 0.318 20 0 GCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000237213322 1192733823 /nfs/dbraw/zinc/73/38/23/1192733823.db2.gz PXPDVTQIHXFJTB-IBGZPJMESA-N 2 0 387.528 0.361 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000419040503 1192737184 /nfs/dbraw/zinc/73/71/84/1192737184.db2.gz MPSRPPOMQHIBBO-ZJPYXAASSA-N 2 0 380.533 0.593 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCO1 ZINC000419039865 1192737399 /nfs/dbraw/zinc/73/73/99/1192737399.db2.gz VVJNMNAOOFKMBE-INIZCTEOSA-N 2 0 398.573 0.431 20 0 GCADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000419043536 1192741635 /nfs/dbraw/zinc/74/16/35/1192741635.db2.gz RMRDZLKHUISKRG-FGTMMUONSA-N 2 0 382.549 0.840 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2)C1 ZINC000652688047 1192756259 /nfs/dbraw/zinc/75/62/59/1192756259.db2.gz UJGIQWXWPIXYPT-MLHJIOFPSA-N 2 0 378.517 0.332 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410623564 1192764025 /nfs/dbraw/zinc/76/40/25/1192764025.db2.gz PZBRRGSZHUOMHE-OTWHNJEPSA-N 2 0 392.544 0.642 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419077773 1192776085 /nfs/dbraw/zinc/77/60/85/1192776085.db2.gz JRUABXYVGFMGES-IAGOWNOFSA-N 2 0 391.520 0.281 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000419081723 1192777990 /nfs/dbraw/zinc/77/79/90/1192777990.db2.gz ORMMYZGVOMYHIR-MSOLQXFVSA-N 2 0 392.500 0.380 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419081909 1192778181 /nfs/dbraw/zinc/77/81/81/1192778181.db2.gz ZGGPPDJENSUQDL-IBGZPJMESA-N 2 0 388.512 0.510 20 0 GCADRP C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000728926011 1192782286 /nfs/dbraw/zinc/78/22/86/1192782286.db2.gz UDAIYKJVQSNIDM-LBPRGKRZSA-N 2 0 395.529 0.564 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419084445 1192779265 /nfs/dbraw/zinc/77/92/65/1192779265.db2.gz YNZMYEABDALBLB-IAGOWNOFSA-N 2 0 395.548 0.213 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000500783977 1192787369 /nfs/dbraw/zinc/78/73/69/1192787369.db2.gz XPCZGIAZBQDXKQ-IRXDYDNUSA-N 2 0 380.533 0.471 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000500784247 1192787629 /nfs/dbraw/zinc/78/76/29/1192787629.db2.gz YNPIGAFIAYZDDU-SJORKVTESA-N 2 0 379.549 0.071 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000419109353 1192789950 /nfs/dbraw/zinc/78/99/50/1192789950.db2.gz ATQZCDJYNFCRNP-KRWDZBQOSA-N 2 0 395.548 0.069 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1[NH3+] ZINC000419109169 1192790598 /nfs/dbraw/zinc/79/05/98/1192790598.db2.gz QWJCWQCKTTWMHX-VQIMIIECSA-N 2 0 388.512 0.626 20 0 GCADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419123552 1192794952 /nfs/dbraw/zinc/79/49/52/1192794952.db2.gz GYIGDJLQYZHKGR-UHFFFAOYSA-N 2 0 398.507 0.811 20 0 GCADRP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000419125020 1192796708 /nfs/dbraw/zinc/79/67/08/1192796708.db2.gz YNSTXIXUTPWRGQ-FGTMMUONSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419125045 1192796880 /nfs/dbraw/zinc/79/68/80/1192796880.db2.gz YSIGBSJVWGWXOJ-GDBMZVCRSA-N 2 0 389.500 0.917 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000419127602 1192797856 /nfs/dbraw/zinc/79/78/56/1192797856.db2.gz RNUUGEMEHARLFA-IBGZPJMESA-N 2 0 389.544 0.362 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)N1CC[NH+](C)CC1 ZINC000419127671 1192798101 /nfs/dbraw/zinc/79/81/01/1192798101.db2.gz RWDDQICCXOGQLZ-ROUUACIJSA-N 2 0 381.565 0.398 20 0 GCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419114305 1192799672 /nfs/dbraw/zinc/79/96/72/1192799672.db2.gz WYAIEXNWGJKRAV-SFHVURJKSA-N 2 0 388.512 0.688 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000669274128 1192799834 /nfs/dbraw/zinc/79/98/34/1192799834.db2.gz MJXPEAFZQCCYDO-WDSOQIARSA-N 2 0 394.560 0.717 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000419138282 1192803251 /nfs/dbraw/zinc/80/32/51/1192803251.db2.gz SFCCRTUIBWIREH-SFHVURJKSA-N 2 0 388.512 0.844 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419129809 1192805075 /nfs/dbraw/zinc/80/50/75/1192805075.db2.gz DJFBLYFXTGJTPY-GOSISDBHSA-N 2 0 388.512 0.892 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000410676907 1192810825 /nfs/dbraw/zinc/81/08/25/1192810825.db2.gz PZZWNFKDYVSHJC-NUJGCVRESA-N 2 0 379.549 0.022 20 0 GCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419153347 1192811108 /nfs/dbraw/zinc/81/11/08/1192811108.db2.gz PMYNNVQUOXDBCB-KRWDZBQOSA-N 3 0 389.544 0.553 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419142929 1192813610 /nfs/dbraw/zinc/81/36/10/1192813610.db2.gz CTVHIFHNRCUNKH-UHFFFAOYSA-N 2 0 388.516 0.227 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+]2CCCC2)cc1 ZINC000419157740 1192817882 /nfs/dbraw/zinc/81/78/82/1192817882.db2.gz LMQDGTBDUDXHSX-MOPGFXCFSA-N 2 0 388.512 0.743 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)[NH+]1CCC(C)CC1 ZINC000419160343 1192818250 /nfs/dbraw/zinc/81/82/50/1192818250.db2.gz PSPYZJOGRIMVPY-NZSAHSFTSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)[NH+]1CCC(C)CC1 ZINC000419160342 1192818442 /nfs/dbraw/zinc/81/84/42/1192818442.db2.gz PSPYZJOGRIMVPY-NEWSRXKRSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)[NH+]1CCC(C)CC1 ZINC000419160341 1192818688 /nfs/dbraw/zinc/81/86/88/1192818688.db2.gz PSPYZJOGRIMVPY-BHIYHBOVSA-N 2 0 394.560 0.968 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419160461 1192818704 /nfs/dbraw/zinc/81/87/04/1192818704.db2.gz HLBZJCHCDAMVAP-IBGZPJMESA-N 2 0 389.544 0.281 20 0 GCADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419161599 1192818898 /nfs/dbraw/zinc/81/88/98/1192818898.db2.gz DMDUNJIBYBDMDA-QYZOEREBSA-N 2 0 386.496 0.214 20 0 GCADRP [NH3+]C1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000419163400 1192820759 /nfs/dbraw/zinc/82/07/59/1192820759.db2.gz JTZQFSMFZLEVDQ-CTWPCTMYSA-N 2 0 388.512 0.780 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419161668 1192820971 /nfs/dbraw/zinc/82/09/71/1192820971.db2.gz FAUFSADPXUNKHF-OALUTQOASA-N 2 0 388.512 0.604 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419162251 1192821073 /nfs/dbraw/zinc/82/10/73/1192821073.db2.gz UBIADHAWSLPEJL-DOTOQJQBSA-N 2 0 388.516 0.178 20 0 GCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163018 1192821625 /nfs/dbraw/zinc/82/16/25/1192821625.db2.gz IOWRXASHSHQLJO-CEXWTWQISA-N 2 0 388.512 0.637 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419167288 1192823266 /nfs/dbraw/zinc/82/32/66/1192823266.db2.gz QKJRVEMHRKLNBB-RBUKOAKNSA-N 2 0 388.512 0.462 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419171369 1192826079 /nfs/dbraw/zinc/82/60/79/1192826079.db2.gz XNOKPSMUXNEQQD-SFHVURJKSA-N 2 0 390.528 0.837 20 0 GCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419174237 1192827143 /nfs/dbraw/zinc/82/71/43/1192827143.db2.gz VBBVHICDVCQYTC-UGKGYDQZSA-N 2 0 384.524 0.879 20 0 GCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419176131 1192827853 /nfs/dbraw/zinc/82/78/53/1192827853.db2.gz YSMMPVHIGFRMCM-IRXDYDNUSA-N 2 0 395.548 0.069 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419167667 1192829339 /nfs/dbraw/zinc/82/93/39/1192829339.db2.gz QRYQWCLMVZCBEX-WMZOPIPTSA-N 2 0 376.501 0.365 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419167660 1192829552 /nfs/dbraw/zinc/82/95/52/1192829552.db2.gz QRYQWCLMVZCBEX-AEFFLSMTSA-N 2 0 376.501 0.365 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419196443 1192832450 /nfs/dbraw/zinc/83/24/50/1192832450.db2.gz BAADJNISYHDBNN-CRAIPNDOSA-N 2 0 376.501 0.972 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419196004 1192832457 /nfs/dbraw/zinc/83/24/57/1192832457.db2.gz AEFWIUKVPMTHDX-LPHOPBHVSA-N 2 0 388.512 0.782 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419196446 1192833022 /nfs/dbraw/zinc/83/30/22/1192833022.db2.gz BAADJNISYHDBNN-YJBOKZPZSA-N 2 0 376.501 0.972 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000419197568 1192833734 /nfs/dbraw/zinc/83/37/34/1192833734.db2.gz KKZIEMZUYKGJCB-KRWDZBQOSA-N 2 0 375.517 0.035 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419180848 1192834484 /nfs/dbraw/zinc/83/44/84/1192834484.db2.gz AVIWYDLGWLCTED-UHFFFAOYSA-N 2 0 375.517 0.116 20 0 GCADRP CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000419182561 1192834633 /nfs/dbraw/zinc/83/46/33/1192834633.db2.gz CKIZHMZUNJXHSD-IBGZPJMESA-N 2 0 388.512 0.639 20 0 GCADRP CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000419185978 1192836116 /nfs/dbraw/zinc/83/61/16/1192836116.db2.gz HUTBDEYQBBDBML-UHFFFAOYSA-N 2 0 376.501 0.314 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)C[C@@H](C)O1 ZINC000419198365 1192836751 /nfs/dbraw/zinc/83/67/51/1192836751.db2.gz CHOPTEKNOGQYIU-CLCXKQKWSA-N 2 0 388.512 0.766 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)C[C@@H](C)O1 ZINC000419198367 1192837085 /nfs/dbraw/zinc/83/70/85/1192837085.db2.gz CHOPTEKNOGQYIU-SPYBWZPUSA-N 2 0 388.512 0.766 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419197737 1192838168 /nfs/dbraw/zinc/83/81/68/1192838168.db2.gz CAMZGXQPCWDPPB-JTDSTZFVSA-N 2 0 388.512 0.862 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419198975 1192838405 /nfs/dbraw/zinc/83/84/05/1192838405.db2.gz DDHVVMBLURSULA-RHSMWYFYSA-N 2 0 392.500 0.472 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000419200383 1192839771 /nfs/dbraw/zinc/83/97/71/1192839771.db2.gz FFOBDHHVQPCVKE-SJLPKXTDSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419201702 1192843038 /nfs/dbraw/zinc/84/30/38/1192843038.db2.gz FZALWWJSHBSYOI-YJBOKZPZSA-N 2 0 376.501 0.972 20 0 GCADRP CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000419203493 1192843339 /nfs/dbraw/zinc/84/33/39/1192843339.db2.gz IBMZBNLDEYPJGK-LJQANCHMSA-N 2 0 388.512 0.721 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419204725 1192857698 /nfs/dbraw/zinc/85/76/98/1192857698.db2.gz JCHULCBXGXBWBO-IRXDYDNUSA-N 2 0 390.528 0.980 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419204723 1192858047 /nfs/dbraw/zinc/85/80/47/1192858047.db2.gz JCHULCBXGXBWBO-CALCHBBNSA-N 2 0 390.528 0.980 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccn1 ZINC000893914308 1192876073 /nfs/dbraw/zinc/87/60/73/1192876073.db2.gz NJAMWYUPKLVMKR-QZTJIDSGSA-N 2 0 391.516 0.763 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419209909 1192895311 /nfs/dbraw/zinc/89/53/11/1192895311.db2.gz XDFIIDAWNIZZBJ-QXAKKESOSA-N 2 0 390.528 0.978 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000410769301 1192901806 /nfs/dbraw/zinc/90/18/06/1192901806.db2.gz ZCQHSOWXGRSWML-IBGZPJMESA-N 2 0 395.592 0.805 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000410773118 1192902093 /nfs/dbraw/zinc/90/20/93/1192902093.db2.gz HMVFXBCGLXFRGN-SFHVURJKSA-N 2 0 382.549 0.748 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000419213107 1192902470 /nfs/dbraw/zinc/90/24/70/1192902470.db2.gz KZICNFJLUBTZPC-RCCFBDPRSA-N 2 0 388.512 0.748 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000419213985 1192907113 /nfs/dbraw/zinc/90/71/13/1192907113.db2.gz LWZKAOUSCAEMGM-JTDSTZFVSA-N 2 0 388.512 0.732 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000419213986 1192907957 /nfs/dbraw/zinc/90/79/57/1192907957.db2.gz LWZKAOUSCAEMGM-TXPKVOOTSA-N 2 0 388.512 0.732 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000419214985 1192915098 /nfs/dbraw/zinc/91/50/98/1192915098.db2.gz NNGIXTQZNCBNHI-JTDSTZFVSA-N 2 0 388.512 0.719 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274515106 1184083634 /nfs/dbraw/zinc/08/36/34/1184083634.db2.gz MFPJTPAVTORHFL-KRWDZBQOSA-N 2 0 389.544 0.871 20 0 GCADRP Cc1csc([C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2CC2)n1 ZINC000579697454 1184095370 /nfs/dbraw/zinc/09/53/70/1184095370.db2.gz UXZCYGVGTFMFLB-HNNXBMFYSA-N 2 0 381.546 0.971 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C3)CC[N@@H+]1C ZINC000969126066 1184119111 /nfs/dbraw/zinc/11/91/11/1184119111.db2.gz LFSTVIZNHBVPRG-PDCGBLAGSA-N 2 0 378.517 0.248 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000642683225 1184186290 /nfs/dbraw/zinc/18/62/90/1184186290.db2.gz FZSHBMMYHSGOLT-RDTXWAMCSA-N 2 0 392.475 0.481 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418559471 1184215675 /nfs/dbraw/zinc/21/56/75/1184215675.db2.gz CLXBQZDGFJGJPG-SQNIBIBYSA-N 2 0 375.517 0.845 20 0 GCADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000579814684 1184248412 /nfs/dbraw/zinc/24/84/12/1184248412.db2.gz FIOGJGAUJBZUNL-SFHVURJKSA-N 2 0 387.528 0.512 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418835845 1184259171 /nfs/dbraw/zinc/25/91/71/1184259171.db2.gz QCKFFYRNGFLIDA-OAGGEKHMSA-N 2 0 392.500 0.809 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000579833625 1184306742 /nfs/dbraw/zinc/30/67/42/1184306742.db2.gz HUHLSZKIGAJEFG-SFHVURJKSA-N 2 0 376.501 0.618 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000471168006 1184319344 /nfs/dbraw/zinc/31/93/44/1184319344.db2.gz GCWIERHMUPXSIX-MRXNPFEDSA-N 2 0 390.532 0.648 20 0 GCADRP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000179469310 1184385797 /nfs/dbraw/zinc/38/57/97/1184385797.db2.gz KNCREAPAFVVTCP-UHFFFAOYSA-N 2 0 396.557 0.827 20 0 GCADRP C[C@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CC(C)(C)O ZINC000547728475 1184423633 /nfs/dbraw/zinc/42/36/33/1184423633.db2.gz MVUUPZFOWPIASM-LAUBAEHRSA-N 2 0 375.513 0.927 20 0 GCADRP C[C@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CC(C)(C)O ZINC000547728477 1184424427 /nfs/dbraw/zinc/42/44/27/1184424427.db2.gz MVUUPZFOWPIASM-UWJYYQICSA-N 2 0 375.513 0.927 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc2)CC1 ZINC000154801134 1184471573 /nfs/dbraw/zinc/47/15/73/1184471573.db2.gz JZYOJUKMBVNIDI-UHFFFAOYSA-N 2 0 375.517 0.783 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970075567 1184510386 /nfs/dbraw/zinc/51/03/86/1184510386.db2.gz OVBIAHWVPXETRO-MLHJIOFPSA-N 2 0 380.533 0.137 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419171794 1184572574 /nfs/dbraw/zinc/57/25/74/1184572574.db2.gz YFYYHOPCOBYFFD-QYZOEREBSA-N 2 0 388.512 0.780 20 0 GCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000655557265 1184573117 /nfs/dbraw/zinc/57/31/17/1184573117.db2.gz UATBXRLEXYWPOU-UYAOXDASSA-N 2 0 379.549 0.520 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000610250342 1184575141 /nfs/dbraw/zinc/57/51/41/1184575141.db2.gz UUBDAUUDDAWSMH-IEBWSBKVSA-N 2 0 379.549 0.166 20 0 GCADRP COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001167197174 1184627265 /nfs/dbraw/zinc/62/72/65/1184627265.db2.gz CPDMOWDXOKQNHH-CQSZACIVSA-N 2 0 394.497 0.176 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000275446768 1184672137 /nfs/dbraw/zinc/67/21/37/1184672137.db2.gz RRYPFJBXXXZANB-UHFFFAOYSA-N 2 0 391.516 0.796 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000275520674 1184696899 /nfs/dbraw/zinc/69/68/99/1184696899.db2.gz VDQBOGRQNUQTJX-QGZVFWFLSA-N 2 0 388.512 0.910 20 0 GCADRP CCCN(C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647019543 1184786117 /nfs/dbraw/zinc/78/61/17/1184786117.db2.gz MPKLIUSRVWRHMT-IBGZPJMESA-N 3 0 393.576 0.604 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@H+](C)C1 ZINC000413393534 1184815067 /nfs/dbraw/zinc/81/50/67/1184815067.db2.gz LDRRVPFICFYYJT-NJAFHUGGSA-N 2 0 396.532 0.501 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@H+](C)C1 ZINC000413393509 1184815715 /nfs/dbraw/zinc/81/57/15/1184815715.db2.gz LBHDKAZELOJQFS-DJIMGWMZSA-N 2 0 382.505 0.110 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000642732974 1184818604 /nfs/dbraw/zinc/81/86/04/1184818604.db2.gz LYILJHAKHKMXAZ-FHWLQOOXSA-N 2 0 387.528 0.477 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000642732925 1184818751 /nfs/dbraw/zinc/81/87/51/1184818751.db2.gz CZDGPWJYCXIMTL-RTBURBONSA-N 2 0 387.528 0.302 20 0 GCADRP O=C(COCC(=O)NCC[NH+]1CCCCCC1)NCC[NH+]1CCCCCC1 ZINC000121844797 1184830708 /nfs/dbraw/zinc/83/07/08/1184830708.db2.gz FNXJQCYVGDFSOD-UHFFFAOYSA-N 2 0 382.549 0.987 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000579996607 1184896160 /nfs/dbraw/zinc/89/61/60/1184896160.db2.gz FBNFITLDXVRAOV-KCITZHQASA-N 2 0 394.560 0.717 20 0 GCADRP C[NH+](C)CC[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000653116696 1184956147 /nfs/dbraw/zinc/95/61/47/1184956147.db2.gz PGJAMJNLNUHRIY-ZWKOTPCHSA-N 2 0 375.517 0.279 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656027587 1184962813 /nfs/dbraw/zinc/96/28/13/1184962813.db2.gz DNOAJUHTZFRYGQ-YDZRNGNQSA-N 2 0 392.544 0.864 20 0 GCADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000653124669 1184966389 /nfs/dbraw/zinc/96/63/89/1184966389.db2.gz DKJMSSODVSEPGM-AVYPCKFXSA-N 2 0 376.476 0.991 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1Oc1cn[nH]c1 ZINC000926078719 1185007032 /nfs/dbraw/zinc/00/70/32/1185007032.db2.gz ZIMKCLQPUVFGPM-JQHSSLGASA-N 2 0 394.520 0.613 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000118897942 1185037980 /nfs/dbraw/zinc/03/79/80/1185037980.db2.gz FAVXFDGTCRLBGQ-SFHVURJKSA-N 2 0 387.528 0.831 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000683816067 1185073584 /nfs/dbraw/zinc/07/35/84/1185073584.db2.gz IYDKJZNZRXYZFC-KRWDZBQOSA-N 2 0 381.565 0.907 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580172933 1185104690 /nfs/dbraw/zinc/10/46/90/1185104690.db2.gz MQMONIICODGBLH-RTBURBONSA-N 2 0 375.517 0.480 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000580247884 1185129953 /nfs/dbraw/zinc/12/99/53/1185129953.db2.gz QVKWORZYBPMFOG-QZTJIDSGSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000580247885 1185131172 /nfs/dbraw/zinc/13/11/72/1185131172.db2.gz QVKWORZYBPMFOG-ROUUACIJSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580289857 1185140156 /nfs/dbraw/zinc/14/01/56/1185140156.db2.gz GEMOQBDAWOOZHM-OAHLLOKOSA-N 2 0 386.496 0.983 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308082 1185149010 /nfs/dbraw/zinc/14/90/10/1185149010.db2.gz SBPBCZLWUZQZDR-MOPGFXCFSA-N 2 0 387.528 0.350 20 0 GCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000580445359 1185233393 /nfs/dbraw/zinc/23/33/93/1185233393.db2.gz UVRROIAHXHDCGY-HZPDHXFCSA-N 2 0 391.516 0.493 20 0 GCADRP Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000580466766 1185239936 /nfs/dbraw/zinc/23/99/36/1185239936.db2.gz MGEDRQHDZCVYFP-CABCVRRESA-N 2 0 375.473 0.711 20 0 GCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275907192 1185266399 /nfs/dbraw/zinc/26/63/99/1185266399.db2.gz IWAQITMXNNUUIA-JKSUJKDBSA-N 2 0 376.505 0.432 20 0 GCADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275907187 1185266668 /nfs/dbraw/zinc/26/66/68/1185266668.db2.gz IWAQITMXNNUUIA-HZPDHXFCSA-N 2 0 376.505 0.432 20 0 GCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580561821 1185276210 /nfs/dbraw/zinc/27/62/10/1185276210.db2.gz YVQQDIKYSDBZLH-MOPGFXCFSA-N 2 0 388.512 0.652 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000580578357 1185280146 /nfs/dbraw/zinc/28/01/46/1185280146.db2.gz WIMVYKCLCKKTIL-GOSISDBHSA-N 2 0 394.560 0.936 20 0 GCADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261635578 1185309459 /nfs/dbraw/zinc/30/94/59/1185309459.db2.gz FGERIKIPOQZJMS-HNNXBMFYSA-N 2 0 394.463 0.863 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000580726418 1185316297 /nfs/dbraw/zinc/31/62/97/1185316297.db2.gz SQUADBVLEGSIBU-KRWDZBQOSA-N 2 0 382.530 0.621 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000580730799 1185317154 /nfs/dbraw/zinc/31/71/54/1185317154.db2.gz MSCCYBVRDVNRFK-BBWFWOEESA-N 2 0 383.537 0.372 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000580730800 1185317386 /nfs/dbraw/zinc/31/73/86/1185317386.db2.gz MSCCYBVRDVNRFK-BRWVUGGUSA-N 2 0 383.537 0.372 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCN(C)CC1 ZINC000656299957 1185365459 /nfs/dbraw/zinc/36/54/59/1185365459.db2.gz FZGUJXYBQONPQO-KZNAEPCWSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCN(C)CC1 ZINC000656299958 1185365808 /nfs/dbraw/zinc/36/58/08/1185365808.db2.gz FZGUJXYBQONPQO-SQNIBIBYSA-N 2 0 379.549 0.119 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656300667 1185367656 /nfs/dbraw/zinc/36/76/56/1185367656.db2.gz SHHXXVFJSJPPKN-GUDVDZBRSA-N 2 0 393.576 0.509 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656308850 1185383588 /nfs/dbraw/zinc/38/35/88/1185383588.db2.gz JGXFECWSNLUSJB-QZTJIDSGSA-N 2 0 380.533 0.737 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656308851 1185383907 /nfs/dbraw/zinc/38/39/07/1185383907.db2.gz JGXFECWSNLUSJB-ROUUACIJSA-N 2 0 380.533 0.737 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000275995222 1185391025 /nfs/dbraw/zinc/39/10/25/1185391025.db2.gz KBTUTIBSZNBLFT-QGZVFWFLSA-N 2 0 394.520 0.343 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000656316959 1185403305 /nfs/dbraw/zinc/40/33/05/1185403305.db2.gz AXFXQWSEDYIQCL-IAGOWNOFSA-N 2 0 379.549 0.262 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000656326134 1185418648 /nfs/dbraw/zinc/41/86/48/1185418648.db2.gz IQZXCUVCNHDUOV-KURKYZTESA-N 2 0 380.533 0.737 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC000656353653 1185449825 /nfs/dbraw/zinc/44/98/25/1185449825.db2.gz BRVXSHFMYCBLGN-QZTJIDSGSA-N 2 0 380.533 0.425 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356457 1185456940 /nfs/dbraw/zinc/45/69/40/1185456940.db2.gz DMTIKFPNOMEVQD-NZSAHSFTSA-N 2 0 392.544 0.831 20 0 GCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656356877 1185457229 /nfs/dbraw/zinc/45/72/29/1185457229.db2.gz HUZHPNAHEBGSSR-GBESFXJTSA-N 2 0 392.544 0.690 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656357591 1185460192 /nfs/dbraw/zinc/46/01/92/1185460192.db2.gz ZOLOSOBLRYEAPV-ROUUACIJSA-N 2 0 379.549 0.215 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656357592 1185460351 /nfs/dbraw/zinc/46/03/51/1185460351.db2.gz ZOLOSOBLRYEAPV-ZWKOTPCHSA-N 2 0 379.549 0.215 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656360883 1185465274 /nfs/dbraw/zinc/46/52/74/1185465274.db2.gz WZCGCPBTOXYTIC-RTBURBONSA-N 2 0 392.544 0.690 20 0 GCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656360881 1185466095 /nfs/dbraw/zinc/46/60/95/1185466095.db2.gz WZCGCPBTOXYTIC-OALUTQOASA-N 2 0 392.544 0.690 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000581025964 1185470881 /nfs/dbraw/zinc/47/08/81/1185470881.db2.gz NTOLIZSUJFDUGJ-LJQANCHMSA-N 2 0 387.528 0.302 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000581092737 1185491326 /nfs/dbraw/zinc/49/13/26/1185491326.db2.gz ZELXEDZYLYXNIE-MOPGFXCFSA-N 2 0 394.560 0.938 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419415954 1185506110 /nfs/dbraw/zinc/50/61/10/1185506110.db2.gz IOCNHIWHPZAVPK-QZTJIDSGSA-N 2 0 387.528 0.701 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1OC ZINC000276039338 1185515853 /nfs/dbraw/zinc/51/58/53/1185515853.db2.gz PCZNEOKDZSZDST-HNNXBMFYSA-N 2 0 377.489 0.903 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000581183033 1185526187 /nfs/dbraw/zinc/52/61/87/1185526187.db2.gz NWNPDQVSRGAGBS-QCSYZSNVSA-N 2 0 378.517 0.079 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1OC ZINC000276084295 1185557061 /nfs/dbraw/zinc/55/70/61/1185557061.db2.gz USXGDOYHZIFSDL-AWEZNQCLSA-N 2 0 378.477 0.298 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000581261335 1185561240 /nfs/dbraw/zinc/56/12/40/1185561240.db2.gz KBIXXUKOBXASCT-IPMKNSEASA-N 2 0 387.528 0.893 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000581324614 1185595353 /nfs/dbraw/zinc/59/53/53/1185595353.db2.gz LAZILCHBMOUBMF-OALUTQOASA-N 2 0 393.576 0.463 20 0 GCADRP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104347271 1185621593 /nfs/dbraw/zinc/62/15/93/1185621593.db2.gz UOGRYWRVTLXQNP-BRSBDYLESA-N 2 0 382.549 0.647 20 0 GCADRP CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001104347295 1185621608 /nfs/dbraw/zinc/62/16/08/1185621608.db2.gz VECHQUBIDBMKHR-YFHUEUNASA-N 2 0 378.521 0.591 20 0 GCADRP COc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001104347350 1185621917 /nfs/dbraw/zinc/62/19/17/1185621917.db2.gz VXIQEPNAOCAIQQ-KCYZZUKISA-N 2 0 380.489 0.977 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430595214 1185667267 /nfs/dbraw/zinc/66/72/67/1185667267.db2.gz HMZAFDBOAQGDOT-HOCLYGCPSA-N 2 0 382.530 0.442 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430595212 1185667697 /nfs/dbraw/zinc/66/76/97/1185667697.db2.gz HMZAFDBOAQGDOT-GOEBONIOSA-N 2 0 382.530 0.442 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430598349 1185676901 /nfs/dbraw/zinc/67/69/01/1185676901.db2.gz CTROUHJSVSBUIS-ZWKOTPCHSA-N 2 0 387.528 0.511 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430598347 1185677176 /nfs/dbraw/zinc/67/71/76/1185677176.db2.gz CTROUHJSVSBUIS-ROUUACIJSA-N 2 0 387.528 0.511 20 0 GCADRP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430601645 1185685570 /nfs/dbraw/zinc/68/55/70/1185685570.db2.gz DXWTYDFXJSPTPU-HNNXBMFYSA-N 2 0 380.464 0.450 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581429233 1185687391 /nfs/dbraw/zinc/68/73/91/1185687391.db2.gz CWKSZUYFBKHOID-ZWKOTPCHSA-N 2 0 389.544 0.553 20 0 GCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581429231 1185687411 /nfs/dbraw/zinc/68/74/11/1185687411.db2.gz CWKSZUYFBKHOID-QZTJIDSGSA-N 2 0 389.544 0.553 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000581451566 1185697561 /nfs/dbraw/zinc/69/75/61/1185697561.db2.gz IQOCWQRLOHDGSI-BPQIPLTHSA-N 2 0 380.533 0.471 20 0 GCADRP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C2CC2)cc1 ZINC000430607960 1185725784 /nfs/dbraw/zinc/72/57/84/1185725784.db2.gz BVTQFHPYKNPOQD-QGZVFWFLSA-N 2 0 388.512 0.973 20 0 GCADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607455 1185730505 /nfs/dbraw/zinc/73/05/05/1185730505.db2.gz CFXJUAFYDBKLIT-HOTGVXAUSA-N 2 0 393.532 0.677 20 0 GCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000581511443 1185734544 /nfs/dbraw/zinc/73/45/44/1185734544.db2.gz MEHVTHOTENZZLM-QZTJIDSGSA-N 2 0 382.549 0.669 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000581571107 1185765317 /nfs/dbraw/zinc/76/53/17/1185765317.db2.gz ZYBGIJXXULWPCI-MOPGFXCFSA-N 2 0 392.544 0.567 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000581569266 1185765426 /nfs/dbraw/zinc/76/54/26/1185765426.db2.gz UYDNDSCNPKLIQM-UHFFFAOYSA-N 2 0 381.565 0.321 20 0 GCADRP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000430613423 1185771806 /nfs/dbraw/zinc/77/18/06/1185771806.db2.gz VLGWKDYPLQQAAU-ZDUSSCGKSA-N 2 0 398.529 0.943 20 0 GCADRP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430617971 1185785790 /nfs/dbraw/zinc/78/57/90/1185785790.db2.gz QIGSOVPGYKBCHY-IBGZPJMESA-N 2 0 388.512 0.593 20 0 GCADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623186 1185804232 /nfs/dbraw/zinc/80/42/32/1185804232.db2.gz HEWJXBWFEPAMSX-DLBZAZTESA-N 2 0 376.501 0.665 20 0 GCADRP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623202 1185806996 /nfs/dbraw/zinc/80/69/96/1185806996.db2.gz HEWJXBWFEPAMSX-SJORKVTESA-N 2 0 376.501 0.665 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cc(F)cc(F)c1 ZINC000430626617 1185811437 /nfs/dbraw/zinc/81/14/37/1185811437.db2.gz RTBPEAIKRLMXFM-HNNXBMFYSA-N 2 0 380.439 0.725 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCc1ccc(F)cc1 ZINC000430629301 1185817238 /nfs/dbraw/zinc/81/72/38/1185817238.db2.gz WGFLOUZQFVDEQN-KRWDZBQOSA-N 2 0 376.476 0.628 20 0 GCADRP [NH3+]CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000430631090 1185817293 /nfs/dbraw/zinc/81/72/93/1185817293.db2.gz TUDNIRVSNHNPQP-UHFFFAOYSA-N 2 0 394.541 0.331 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000581657452 1185817917 /nfs/dbraw/zinc/81/79/17/1185817917.db2.gz LNIAFSYWPGFHJG-UHFFFAOYSA-N 2 0 387.528 0.431 20 0 GCADRP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633002 1185822022 /nfs/dbraw/zinc/82/20/22/1185822022.db2.gz ZTPLXYKSEWZCHR-OAGGEKHMSA-N 2 0 390.484 0.118 20 0 GCADRP [NH3+]CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000430636061 1185825713 /nfs/dbraw/zinc/82/57/13/1185825713.db2.gz XIBYDNJEMNNCKE-UHFFFAOYSA-N 2 0 398.504 0.329 20 0 GCADRP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637662 1185837772 /nfs/dbraw/zinc/83/77/72/1185837772.db2.gz DHEMNTQWWMIKSG-QGZVFWFLSA-N 2 0 376.501 0.667 20 0 GCADRP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430648059 1185863491 /nfs/dbraw/zinc/86/34/91/1185863491.db2.gz GNELMTVTFMFEFY-SFHVURJKSA-N 2 0 390.528 0.919 20 0 GCADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)sc2n1 ZINC000430649032 1185864396 /nfs/dbraw/zinc/86/43/96/1185864396.db2.gz RWBGFQOBQYMHBF-CYBMUJFWSA-N 2 0 376.486 0.103 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2sccc2C1 ZINC000430648175 1185865762 /nfs/dbraw/zinc/86/57/62/1185865762.db2.gz HERFAAAWPRVPQW-MRXNPFEDSA-N 2 0 376.526 0.777 20 0 GCADRP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430650121 1185866222 /nfs/dbraw/zinc/86/62/22/1185866222.db2.gz JZZZECRIJCRUKA-WBVHZDCISA-N 2 0 376.476 0.974 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891511597 1185900600 /nfs/dbraw/zinc/90/06/00/1185900600.db2.gz DEBDQQUKENQNPH-XLIONFOSSA-N 2 0 387.532 0.963 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891536568 1185910349 /nfs/dbraw/zinc/91/03/49/1185910349.db2.gz VFBXUEPFJLEFEN-GXTWGEPZSA-N 2 0 393.454 0.708 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891563295 1185921685 /nfs/dbraw/zinc/92/16/85/1185921685.db2.gz COPJBOHYYWNLFH-UYAOXDASSA-N 2 0 379.549 0.568 20 0 GCADRP C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC1 ZINC000161055585 1185947480 /nfs/dbraw/zinc/94/74/80/1185947480.db2.gz SECWOYJWRCFZTL-FQEVSTJZSA-N 2 0 384.524 0.737 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419898363 1185976257 /nfs/dbraw/zinc/97/62/57/1185976257.db2.gz PLLRYSFYENKMLU-XWTMOSNGSA-N 2 0 379.549 0.390 20 0 GCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000419890833 1185977263 /nfs/dbraw/zinc/97/72/63/1185977263.db2.gz IGDAQXHIOAYWEJ-ZWKOTPCHSA-N 2 0 380.533 0.724 20 0 GCADRP O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891709715 1185990856 /nfs/dbraw/zinc/99/08/56/1185990856.db2.gz SZMYUDGHKRXGRC-QXSJWSMHSA-N 2 0 386.456 0.237 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[NH+]3CCC(O)CC3)cn2)CC1 ZINC000891713745 1185992288 /nfs/dbraw/zinc/99/22/88/1185992288.db2.gz DDIJPXSMWVHLKG-UHFFFAOYSA-N 2 0 376.505 0.089 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581937801 1185997930 /nfs/dbraw/zinc/99/79/30/1185997930.db2.gz RHHQSACJKWVKSC-XCDZQEORSA-N 2 0 391.560 0.199 20 0 GCADRP C[NH+](C)CC1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCC1 ZINC000891791495 1186038120 /nfs/dbraw/zinc/03/81/20/1186038120.db2.gz YHVZLZJOJNXTTJ-OAGGEKHMSA-N 2 0 379.505 0.685 20 0 GCADRP C[C@@H](CCNC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c[nH]1)[NH+](C)C ZINC000657088276 1186047641 /nfs/dbraw/zinc/04/76/41/1186047641.db2.gz BVLQKZNPQQUDML-KBPBESRZSA-N 2 0 387.550 0.703 20 0 GCADRP C[C@H](CCNS(=O)(=O)c1c[nH]c(C(=O)NCC[C@H](C)[NH+](C)C)c1)[NH+](C)C ZINC000657088279 1186048078 /nfs/dbraw/zinc/04/80/78/1186048078.db2.gz BVLQKZNPQQUDML-UONOGXRCSA-N 2 0 387.550 0.703 20 0 GCADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430919891 1186054304 /nfs/dbraw/zinc/05/43/04/1186054304.db2.gz MTEPNCFDZYEYOC-IHRRRGAJSA-N 2 0 382.530 0.959 20 0 GCADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431007807 1186099270 /nfs/dbraw/zinc/09/92/70/1186099270.db2.gz HUSHXOGMXSUNAS-KRWDZBQOSA-N 2 0 376.505 0.264 20 0 GCADRP COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431017561 1186104339 /nfs/dbraw/zinc/10/43/39/1186104339.db2.gz RCCMXHMARZUWET-UHFFFAOYSA-N 2 0 382.486 0.357 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cn(C4CC[NH2+]CC4)nn3)cn2)CC1 ZINC000431020028 1186105016 /nfs/dbraw/zinc/10/50/16/1186105016.db2.gz VRYCIDKJJZROSB-UHFFFAOYSA-N 2 0 384.488 0.279 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000933847415 1186108765 /nfs/dbraw/zinc/10/87/65/1186108765.db2.gz GRIBRIHZLLJUAC-MSOLQXFVSA-N 2 0 393.576 0.319 20 0 GCADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000431034239 1186109959 /nfs/dbraw/zinc/10/99/59/1186109959.db2.gz UTTORICCPYTHJN-GJZGRUSLSA-N 2 0 394.541 0.975 20 0 GCADRP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034241 1186110408 /nfs/dbraw/zinc/11/04/08/1186110408.db2.gz UTTORICCPYTHJN-LSDHHAIUSA-N 2 0 394.541 0.975 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000431061566 1186116251 /nfs/dbraw/zinc/11/62/51/1186116251.db2.gz WVBCMPKCGQRNBJ-UHFFFAOYSA-N 2 0 399.499 0.424 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000559358812 1186158371 /nfs/dbraw/zinc/15/83/71/1186158371.db2.gz KZLPJAPOISWERU-UHFFFAOYSA-N 2 0 382.549 0.986 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000563055214 1186189096 /nfs/dbraw/zinc/18/90/96/1186189096.db2.gz RSGPBFVMMWGQNQ-MRXNPFEDSA-N 2 0 384.488 0.107 20 0 GCADRP Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001707912822 1186269111 /nfs/dbraw/zinc/26/91/11/1186269111.db2.gz HPDFDHOYYQOUDD-KRWDZBQOSA-N 2 0 392.548 0.856 20 0 GCADRP [NH3+][C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000892030312 1186311974 /nfs/dbraw/zinc/31/19/74/1186311974.db2.gz GORXAFPNQNXLOV-OALUTQOASA-N 2 0 375.517 0.782 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCSC1 ZINC000431284780 1186318691 /nfs/dbraw/zinc/31/86/91/1186318691.db2.gz WKEUKFMSCGVXEK-SFHVURJKSA-N 2 0 385.578 0.715 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892105935 1186344174 /nfs/dbraw/zinc/34/41/74/1186344174.db2.gz AAVOLPAFUYFFKA-ZIAGYGMSSA-N 2 0 393.454 0.280 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892105933 1186344667 /nfs/dbraw/zinc/34/46/67/1186344667.db2.gz AAVOLPAFUYFFKA-KGLIPLIRSA-N 2 0 393.454 0.280 20 0 GCADRP COCC1(CNC(=O)N2CCN(CCc3cnccn3)CC2)CC[NH2+]CC1 ZINC000892113410 1186348994 /nfs/dbraw/zinc/34/89/94/1186348994.db2.gz CYSLJGGSHLJGCR-UHFFFAOYSA-N 2 0 376.505 0.363 20 0 GCADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892118858 1186354826 /nfs/dbraw/zinc/35/48/26/1186354826.db2.gz JFNUZHBEOQJYCA-DDBAPUKQSA-N 2 0 385.468 0.450 20 0 GCADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000277385559 1186356995 /nfs/dbraw/zinc/35/69/95/1186356995.db2.gz YNIQJQWAGIDSIL-QGZVFWFLSA-N 2 0 396.557 0.799 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1C(F)(F)F ZINC000892132662 1186364225 /nfs/dbraw/zinc/36/42/25/1186364225.db2.gz QXLULFXXRFERPA-PPWQZUPISA-N 2 0 377.455 0.981 20 0 GCADRP OCCN1CCC[C@H]2[C@H]1CC[NH+]2CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261316 1186389305 /nfs/dbraw/zinc/38/93/05/1186389305.db2.gz DZURJUHNFVDESR-ZDNVTZCJSA-N 2 0 394.604 0.829 20 0 GCADRP OCC[NH+]1CCC[C@H]2[C@H]1CCN2C/C=C\CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934264653 1186391711 /nfs/dbraw/zinc/39/17/11/1186391711.db2.gz UPHMGKMWQXEGMP-NEOZMNTHSA-N 2 0 392.588 0.605 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000582231497 1186470321 /nfs/dbraw/zinc/47/03/21/1186470321.db2.gz BZYRTQMTEBJTLA-GDBMZVCRSA-N 2 0 392.500 0.620 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892235128 1186481119 /nfs/dbraw/zinc/48/11/19/1186481119.db2.gz FBJGICJEBAKLSJ-NNXHMXCWSA-N 2 0 377.489 0.580 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000582315900 1186493060 /nfs/dbraw/zinc/49/30/60/1186493060.db2.gz NNHITOURUSDOLL-MOPGFXCFSA-N 3 0 391.560 0.404 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511122289 1186529081 /nfs/dbraw/zinc/52/90/81/1186529081.db2.gz PJYAFSYLRFAYSG-UHFFFAOYSA-N 2 0 388.512 0.765 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582595611 1186579065 /nfs/dbraw/zinc/57/90/65/1186579065.db2.gz OKWMSHCDMPKENI-ROUUACIJSA-N 2 0 377.533 0.928 20 0 GCADRP COC(=O)c1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)cc1C ZINC000582640564 1186594973 /nfs/dbraw/zinc/59/49/73/1186594973.db2.gz URZMLIWUEIWNNS-UHFFFAOYSA-N 2 0 392.500 0.980 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000582651912 1186598163 /nfs/dbraw/zinc/59/81/63/1186598163.db2.gz FZVQVAKCBOXPOA-SFHVURJKSA-N 3 0 381.565 0.129 20 0 GCADRP NC(=O)c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000892287145 1186623740 /nfs/dbraw/zinc/62/37/40/1186623740.db2.gz WFZTWRKJVIXLKJ-IAGOWNOFSA-N 2 0 399.543 0.925 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(c2cc(C(N)=O)nc(N3CCC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000892288565 1186626524 /nfs/dbraw/zinc/62/65/24/1186626524.db2.gz RJUMRRXPIHKCJD-HUUCEWRRSA-N 2 0 375.521 0.636 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000075007857 1186628285 /nfs/dbraw/zinc/62/82/85/1186628285.db2.gz UVPIUONRILZYOV-IAGOWNOFSA-N 2 0 382.549 0.922 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000075007852 1186628355 /nfs/dbraw/zinc/62/83/55/1186628355.db2.gz UAMDBIXRNYZJBP-INIZCTEOSA-N 2 0 382.549 0.922 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCCC1 ZINC000582881708 1186721923 /nfs/dbraw/zinc/72/19/23/1186721923.db2.gz UUCQXSDSZBCTIZ-UHFFFAOYSA-N 2 0 376.505 1.079 20 0 GCADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466912158 1186737034 /nfs/dbraw/zinc/73/70/34/1186737034.db2.gz FERKLNDCURFJNL-IRXDYDNUSA-N 2 0 380.533 0.676 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000685080859 1186773351 /nfs/dbraw/zinc/77/33/51/1186773351.db2.gz RLWSEHCGPRTYKK-LJQANCHMSA-N 2 0 395.592 0.567 20 0 GCADRP Cn1nccc1[C@H]1[C@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CCC[NH+]1C1CC1 ZINC000508293481 1186775229 /nfs/dbraw/zinc/77/52/29/1186775229.db2.gz SXXLIPSLCMFURF-CVAIRZPRSA-N 2 0 390.532 0.701 20 0 GCADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583142703 1186780157 /nfs/dbraw/zinc/78/01/57/1186780157.db2.gz IYACVLRGIULPJC-FUHWJXTLSA-N 2 0 378.517 0.300 20 0 GCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000583161347 1186785097 /nfs/dbraw/zinc/78/50/97/1186785097.db2.gz TVFLSJQVWCTBBS-ABHNRTSZSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000531118569 1186790024 /nfs/dbraw/zinc/79/00/24/1186790024.db2.gz CKOWETMMOFJHID-UHFFFAOYSA-N 2 0 396.557 0.940 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000124625987 1186799455 /nfs/dbraw/zinc/79/94/55/1186799455.db2.gz SFDRZONMHHXBDQ-INIZCTEOSA-N 2 0 377.489 0.198 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000583285812 1186817806 /nfs/dbraw/zinc/81/78/06/1186817806.db2.gz QBVYSNMPCNCYHH-QRVBRYPASA-N 2 0 392.544 0.567 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000156020558 1186838817 /nfs/dbraw/zinc/83/88/17/1186838817.db2.gz WJKSGXVUHYSBJY-RDJZCZTQSA-N 2 0 388.516 0.859 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000583511592 1186875737 /nfs/dbraw/zinc/87/57/37/1186875737.db2.gz OGTIQMWOWVQFHP-OALUTQOASA-N 2 0 388.512 0.257 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)C[C@@H](C)O1 ZINC000583558915 1186885773 /nfs/dbraw/zinc/88/57/73/1186885773.db2.gz VYGYQWBUYPBFTQ-FPAYPSAMSA-N 2 0 392.544 0.545 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000583569408 1186887814 /nfs/dbraw/zinc/88/78/14/1186887814.db2.gz ZGSDVXYNFNPNCA-NEWSRXKRSA-N 2 0 394.560 0.861 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)CC1=O ZINC000888990830 1186895611 /nfs/dbraw/zinc/89/56/11/1186895611.db2.gz FXXIRGZUCMPJRO-QZTJIDSGSA-N 2 0 379.549 0.025 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+](C2CCC2)C1 ZINC000563730643 1186902771 /nfs/dbraw/zinc/90/27/71/1186902771.db2.gz KQXSUBKILLTLCM-OAHLLOKOSA-N 2 0 376.505 0.716 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000583656878 1186912710 /nfs/dbraw/zinc/91/27/10/1186912710.db2.gz PSQNDLHCURFUFL-QGZVFWFLSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010136 1186937328 /nfs/dbraw/zinc/93/73/28/1186937328.db2.gz UITUJQSKQAFGSL-APWZRJJASA-N 3 0 393.576 0.460 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000583823918 1186945954 /nfs/dbraw/zinc/94/59/54/1186945954.db2.gz MICWHCPQQIYLAV-UHFFFAOYSA-N 2 0 375.473 0.210 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)C2)CC1 ZINC000584008562 1186978190 /nfs/dbraw/zinc/97/81/90/1186978190.db2.gz WYCZSJZDRXDRPJ-RTBURBONSA-N 2 0 393.576 0.604 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005911 1186979024 /nfs/dbraw/zinc/97/90/24/1186979024.db2.gz OSISKPVTTLEBLE-HLLBOEOZSA-N 2 0 391.541 0.914 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000584058429 1186991320 /nfs/dbraw/zinc/99/13/20/1186991320.db2.gz WXMCELSXQVLOMI-UHFFFAOYSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000584073538 1186993832 /nfs/dbraw/zinc/99/38/32/1186993832.db2.gz FRZMGRNPPYOWDG-SFHVURJKSA-N 2 0 394.560 0.938 20 0 GCADRP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)cn2)[C@H](C)C1 ZINC000685273060 1187008975 /nfs/dbraw/zinc/00/89/75/1187008975.db2.gz FKUHFMQIWONCJQ-MHORFTMASA-N 2 0 392.548 0.259 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CCCCC4)CC3)C[C@H]2[NH3+])cn1 ZINC000584167475 1187009230 /nfs/dbraw/zinc/00/92/30/1187009230.db2.gz MBMKFURIJCCJCS-ZWKOTPCHSA-N 2 0 388.516 0.150 20 0 GCADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000584166707 1187009538 /nfs/dbraw/zinc/00/95/38/1187009538.db2.gz LODIRIWNDIXGOP-CQSZACIVSA-N 2 0 387.484 0.774 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000584195166 1187013471 /nfs/dbraw/zinc/01/34/71/1187013471.db2.gz OZEMQAKVAAGMMD-ZWKOTPCHSA-N 2 0 394.560 0.719 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000127465140 1187019279 /nfs/dbraw/zinc/01/92/79/1187019279.db2.gz SLCJSVDOTDPPRR-MRXNPFEDSA-N 2 0 376.505 0.718 20 0 GCADRP CC1(C)CC[C@H](CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)[NH2+]C1 ZINC000892377546 1187040977 /nfs/dbraw/zinc/04/09/77/1187040977.db2.gz KRCUFXRJIHSBEI-BMFZPTHFSA-N 2 0 379.505 0.731 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000584365055 1187041324 /nfs/dbraw/zinc/04/13/24/1187041324.db2.gz FBVHUEKTZURODQ-GOSISDBHSA-N 2 0 386.562 0.109 20 0 GCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000584409265 1187053356 /nfs/dbraw/zinc/05/33/56/1187053356.db2.gz CFEOOTJMJFZNBM-CABCVRRESA-N 2 0 389.500 0.645 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000584409267 1187053662 /nfs/dbraw/zinc/05/36/62/1187053662.db2.gz CFEOOTJMJFZNBM-GJZGRUSLSA-N 2 0 389.500 0.645 20 0 GCADRP CO[C@@H](C[NH3+])C(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000584408558 1187054273 /nfs/dbraw/zinc/05/42/73/1187054273.db2.gz DEEROUYBYOQFEI-SFHVURJKSA-N 2 0 376.501 0.447 20 0 GCADRP COC(=O)[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@H+](C)C1 ZINC000413555734 1187075375 /nfs/dbraw/zinc/07/53/75/1187075375.db2.gz ROIMIROLDMGRKU-INIZCTEOSA-N 2 0 393.488 0.268 20 0 GCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000657870662 1187079994 /nfs/dbraw/zinc/07/99/94/1187079994.db2.gz PXRIBYQNHWFCPY-GOSISDBHSA-N 2 0 385.512 0.921 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1COc2ccccc21 ZINC000685405407 1187123210 /nfs/dbraw/zinc/12/32/10/1187123210.db2.gz WLAYCTBJZAOXDB-NVXWUHKLSA-N 2 0 376.501 0.619 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000685501421 1187138125 /nfs/dbraw/zinc/13/81/25/1187138125.db2.gz LYRYUIXQZGHKIR-IEBWSBKVSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000685519754 1187141954 /nfs/dbraw/zinc/14/19/54/1187141954.db2.gz PEEGNWNRJBCNPG-HZPDHXFCSA-N 2 0 380.533 0.593 20 0 GCADRP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685520293 1187143627 /nfs/dbraw/zinc/14/36/27/1187143627.db2.gz BOPMXQVMIRVSED-QZTJIDSGSA-N 2 0 393.576 0.461 20 0 GCADRP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685520292 1187143697 /nfs/dbraw/zinc/14/36/97/1187143697.db2.gz BOPMXQVMIRVSED-MSOLQXFVSA-N 2 0 393.576 0.461 20 0 GCADRP [NH3+][C@@H](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000892408501 1187175453 /nfs/dbraw/zinc/17/54/53/1187175453.db2.gz QUCQEHRVYKRQOA-OALUTQOASA-N 2 0 387.528 0.800 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000658180355 1187253336 /nfs/dbraw/zinc/25/33/36/1187253336.db2.gz XBZLFRUNDFKGTP-MSOLQXFVSA-N 2 0 379.549 0.168 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000658421317 1187291782 /nfs/dbraw/zinc/29/17/82/1187291782.db2.gz KVXWJWZOTMLPFM-INIZCTEOSA-N 2 0 375.517 0.829 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+](C)C ZINC000658420701 1187292457 /nfs/dbraw/zinc/29/24/57/1187292457.db2.gz HEQXYLDCFPLGQT-ZDUSSCGKSA-N 2 0 391.472 0.551 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422185980 1187391077 /nfs/dbraw/zinc/39/10/77/1187391077.db2.gz JZUUGQNUEVIFFO-GOSISDBHSA-N 2 0 395.592 0.852 20 0 GCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612225286 1187413659 /nfs/dbraw/zinc/41/36/59/1187413659.db2.gz ZUOOBOZXEZKYQD-UHFFFAOYSA-N 2 0 387.528 0.962 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413615142 1187441921 /nfs/dbraw/zinc/44/19/21/1187441921.db2.gz HEUYDWDSSGLRKU-UHFFFAOYSA-N 2 0 381.565 0.910 20 0 GCADRP CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000413719609 1187482260 /nfs/dbraw/zinc/48/22/60/1187482260.db2.gz RAGYHRFOPYYANU-KURKYZTESA-N 2 0 392.548 0.812 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612447321 1187493326 /nfs/dbraw/zinc/49/33/26/1187493326.db2.gz PGZFAHJHQACBMB-PKOBYXMFSA-N 2 0 392.544 0.879 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612447318 1187493677 /nfs/dbraw/zinc/49/36/77/1187493677.db2.gz PGZFAHJHQACBMB-HKUYNNGSSA-N 2 0 392.544 0.879 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000612486220 1187505589 /nfs/dbraw/zinc/50/55/89/1187505589.db2.gz QMBIORQYRXETJQ-QZTJIDSGSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCC1([NH+]3CCCC3)CCOCC1)CC[NH2+]CC2 ZINC000570082140 1187516138 /nfs/dbraw/zinc/51/61/38/1187516138.db2.gz RBUQEAUEHQFMBN-QGZVFWFLSA-N 2 0 392.544 0.738 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC[C@@H]21 ZINC000612595568 1187534960 /nfs/dbraw/zinc/53/49/60/1187534960.db2.gz IVLUNMHEPCZXRS-NXHRZFHOSA-N 2 0 378.517 0.299 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595261 1187535840 /nfs/dbraw/zinc/53/58/40/1187535840.db2.gz FRBMXDXDXPOAIF-MSOLQXFVSA-N 2 0 380.533 0.689 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597774 1187536299 /nfs/dbraw/zinc/53/62/99/1187536299.db2.gz NAGZHZCTBZKZHI-KBAYOESNSA-N 2 0 378.517 0.299 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000612600472 1187539462 /nfs/dbraw/zinc/53/94/62/1187539462.db2.gz INLVFRCGXDODFN-LJQANCHMSA-N 2 0 392.544 0.833 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000612600585 1187539564 /nfs/dbraw/zinc/53/95/64/1187539564.db2.gz IKNVYCPDLUXQOO-JFIYKMOQSA-N 2 0 380.533 0.593 20 0 GCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612601686 1187540350 /nfs/dbraw/zinc/54/03/50/1187540350.db2.gz SRQXKFNFVMWIFP-LJQANCHMSA-N 2 0 394.560 0.936 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)C2)CC1 ZINC000570234554 1187551403 /nfs/dbraw/zinc/55/14/03/1187551403.db2.gz ZFKSUYBHVSZCDP-WMZOPIPTSA-N 2 0 379.549 0.212 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)CC[N@@H+]1C ZINC001024670126 1187569283 /nfs/dbraw/zinc/56/92/83/1187569283.db2.gz HIAVNVNPWBURPC-UTRMSSBJSA-N 2 0 388.512 0.390 20 0 GCADRP CC(C)(CN1CCOCC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000413953341 1187608955 /nfs/dbraw/zinc/60/89/55/1187608955.db2.gz GTNWSLACPHBLPO-UHFFFAOYSA-N 2 0 375.517 0.821 20 0 GCADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870430 1187608988 /nfs/dbraw/zinc/60/89/88/1187608988.db2.gz CVFRSHPEKGDKMN-HOTGVXAUSA-N 2 0 375.521 0.803 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612920500 1187620454 /nfs/dbraw/zinc/62/04/54/1187620454.db2.gz HRVRTYCQPDXROV-OAGGEKHMSA-N 2 0 375.521 0.978 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000612923381 1187620981 /nfs/dbraw/zinc/62/09/81/1187620981.db2.gz OHIMVPXUJABNAH-PMPSAXMXSA-N 2 0 375.521 0.849 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000247030699 1187680655 /nfs/dbraw/zinc/68/06/55/1187680655.db2.gz QQVWILKRMYZLNO-MISYRCLQSA-N 2 0 395.592 0.937 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000173951985 1187744248 /nfs/dbraw/zinc/74/42/48/1187744248.db2.gz STDBZIKFWHJOMU-UHFFFAOYSA-N 2 0 386.504 0.913 20 0 GCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000414184066 1187753467 /nfs/dbraw/zinc/75/34/67/1187753467.db2.gz NHGWOKFIGTYVKR-FHLIZLRMSA-N 2 0 385.530 0.981 20 0 GCADRP O=C(NC[C@H]1CCCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)[C@@H]1CCC[NH2+]1 ZINC000892586909 1187797528 /nfs/dbraw/zinc/79/75/28/1187797528.db2.gz GUARADKHVJSOPM-SFFUCWETSA-N 2 0 377.533 0.807 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000376389025 1187808633 /nfs/dbraw/zinc/80/86/33/1187808633.db2.gz VCLIJJNYWUNCFG-SFHVURJKSA-N 2 0 380.581 0.434 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(CN(C)C)on4)[C@@H]3C2)CC[N@@H+]1C ZINC000973038051 1187809038 /nfs/dbraw/zinc/80/90/38/1187809038.db2.gz VZJOKNMRUPEQBW-GZOSKZMVSA-N 2 0 389.500 0.749 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000668828078 1187852077 /nfs/dbraw/zinc/85/20/77/1187852077.db2.gz UARLGIYOBRSRNT-GOSISDBHSA-N 2 0 394.560 0.984 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)CC2)C1 ZINC000659061704 1187855516 /nfs/dbraw/zinc/85/55/16/1187855516.db2.gz PTGBZMHUVWCKNI-SFHVURJKSA-N 2 0 393.576 0.558 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)CC2)C1 ZINC000659061700 1187855570 /nfs/dbraw/zinc/85/55/70/1187855570.db2.gz PTGBZMHUVWCKNI-GOSISDBHSA-N 2 0 393.576 0.558 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000659090160 1187873707 /nfs/dbraw/zinc/87/37/07/1187873707.db2.gz JILVACJUGIOXJS-MRXNPFEDSA-N 2 0 376.505 0.621 20 0 GCADRP C[C@H](CCNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)[NH+](C)C ZINC000659095011 1187875327 /nfs/dbraw/zinc/87/53/27/1187875327.db2.gz VMZVLLQMCCGDOV-MRXNPFEDSA-N 2 0 391.516 0.366 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000659093428 1187875360 /nfs/dbraw/zinc/87/53/60/1187875360.db2.gz RHSBVDDLPNYRFV-UHFFFAOYSA-N 2 0 391.516 0.447 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659096484 1187877347 /nfs/dbraw/zinc/87/73/47/1187877347.db2.gz CHRNDYCVUPDQDI-UHFFFAOYSA-N 2 0 391.516 0.892 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000659110881 1187886492 /nfs/dbraw/zinc/88/64/92/1187886492.db2.gz DKXNCNBQPDFWLY-WMLDXEAASA-N 2 0 389.500 0.515 20 0 GCADRP CCCN(C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568940 1187895378 /nfs/dbraw/zinc/89/53/78/1187895378.db2.gz XQLZGNNHSGJYCC-GOSISDBHSA-N 2 0 381.565 0.414 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)c1 ZINC000659162816 1187906006 /nfs/dbraw/zinc/90/60/06/1187906006.db2.gz DGCRHIYVITYKRM-MRXNPFEDSA-N 2 0 387.484 0.436 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000584515599 1187917540 /nfs/dbraw/zinc/91/75/40/1187917540.db2.gz DLDJBZPAJJGYSD-UZLBHIALSA-N 2 0 378.517 0.252 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423716003 1187920464 /nfs/dbraw/zinc/92/04/64/1187920464.db2.gz ZXBQVTWRQLTWFZ-IBGZPJMESA-N 2 0 387.528 0.083 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001025292301 1187938587 /nfs/dbraw/zinc/93/85/87/1187938587.db2.gz OVBIAHWVPXETRO-BSDSXHPESA-N 2 0 380.533 0.137 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000659318670 1187943455 /nfs/dbraw/zinc/94/34/55/1187943455.db2.gz WMBJUTWZTCPJNO-MRXNPFEDSA-N 2 0 397.564 0.078 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)CC2)C1 ZINC000659345149 1187945482 /nfs/dbraw/zinc/94/54/82/1187945482.db2.gz DAMVUSZAYXRWFN-RBUKOAKNSA-N 2 0 391.560 0.312 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000659345054 1187945586 /nfs/dbraw/zinc/94/55/86/1187945586.db2.gz VRMHIKUHLRQYKK-HKUYNNGSSA-N 2 0 393.576 0.602 20 0 GCADRP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344796 1187945895 /nfs/dbraw/zinc/94/58/95/1187945895.db2.gz KVPRJRITFFEGSP-ZWKOTPCHSA-N 2 0 379.549 0.166 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344577 1187946483 /nfs/dbraw/zinc/94/64/83/1187946483.db2.gz GXNXPBVKHXXTIM-GOSISDBHSA-N 2 0 393.576 0.556 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCc2cccc(CN3CCOCC3)c2)n1 ZINC000659439639 1187958218 /nfs/dbraw/zinc/95/82/18/1187958218.db2.gz LMZXRPIZNMPKSM-UHFFFAOYSA-N 2 0 386.456 0.473 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000659470461 1187962493 /nfs/dbraw/zinc/96/24/93/1187962493.db2.gz BUOBHWLVQHOAIQ-LSDHHAIUSA-N 2 0 378.477 0.208 20 0 GCADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659507599 1187967341 /nfs/dbraw/zinc/96/73/41/1187967341.db2.gz JUQAFBDDEWGOTE-BBRMVZONSA-N 2 0 381.427 0.141 20 0 GCADRP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)C1 ZINC000659534512 1187967989 /nfs/dbraw/zinc/96/79/89/1187967989.db2.gz AHVXZSGCIIRURT-RXVVDRJESA-N 2 0 391.560 0.169 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1F ZINC000659550668 1187969863 /nfs/dbraw/zinc/96/98/63/1187969863.db2.gz SLOYGIDOIMJUGV-VYDXJSESSA-N 2 0 380.464 0.958 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000659589665 1187974042 /nfs/dbraw/zinc/97/40/42/1187974042.db2.gz WQPFQIMRIFCAPX-IHPCNDPISA-N 2 0 387.528 0.830 20 0 GCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659641461 1187979593 /nfs/dbraw/zinc/97/95/93/1187979593.db2.gz PTBJYLHGZJYRPL-IBGZPJMESA-N 2 0 391.560 0.962 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659680447 1187993180 /nfs/dbraw/zinc/99/31/80/1187993180.db2.gz NGFUOKNMYWUNOA-RBUKOAKNSA-N 2 0 394.560 0.698 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000659687685 1187997497 /nfs/dbraw/zinc/99/74/97/1187997497.db2.gz XOFKMYLCKBJQIW-OAHLLOKOSA-N 2 0 376.501 0.748 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000659689554 1187998161 /nfs/dbraw/zinc/99/81/61/1187998161.db2.gz CRDXCKOZGQZZBW-JYJNAYRXSA-N 2 0 376.501 0.636 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000659682255 1187998663 /nfs/dbraw/zinc/99/86/63/1187998663.db2.gz IGTGCMIQMCKLML-VSZNYVQBSA-N 2 0 382.549 0.825 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000659682253 1187998831 /nfs/dbraw/zinc/99/88/31/1187998831.db2.gz IGTGCMIQMCKLML-BDXSIMOUSA-N 2 0 382.549 0.825 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659697975 1187999195 /nfs/dbraw/zinc/99/91/95/1187999195.db2.gz MINLTHGFOGVDJW-QGZVFWFLSA-N 2 0 375.517 0.035 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659691044 1188000009 /nfs/dbraw/zinc/00/00/09/1188000009.db2.gz FQXMNUFVYOGPSU-CQSZACIVSA-N 2 0 393.507 0.950 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000659699532 1188003536 /nfs/dbraw/zinc/00/35/36/1188003536.db2.gz WKYHEPVTGDIALD-INIZCTEOSA-N 2 0 398.467 0.210 20 0 GCADRP C[C@@]1(CNC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000659723644 1188008973 /nfs/dbraw/zinc/00/89/73/1188008973.db2.gz OQJWQVDZDFTUPF-OAQYLSRUSA-N 2 0 387.528 0.916 20 0 GCADRP [NH3+]CCC1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659726882 1188013163 /nfs/dbraw/zinc/01/31/63/1188013163.db2.gz CJIRRQAGTKECIU-UHFFFAOYSA-N 2 0 387.528 0.997 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)C[C@H]21 ZINC000659726937 1188014001 /nfs/dbraw/zinc/01/40/01/1188014001.db2.gz DDIUGAKOWSBUJV-XUVXKRRUSA-N 2 0 399.539 0.996 20 0 GCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659730727 1188016552 /nfs/dbraw/zinc/01/65/52/1188016552.db2.gz UQQFBHWJHYAVMN-GOSISDBHSA-N 2 0 387.528 0.997 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415302495 1188026564 /nfs/dbraw/zinc/02/65/64/1188026564.db2.gz NAVUTMBEWZGCRP-HNNXBMFYSA-N 2 0 389.500 0.644 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415320171 1188031277 /nfs/dbraw/zinc/03/12/77/1188031277.db2.gz VNFKWDOQCFFESC-MRXNPFEDSA-N 2 0 375.473 0.774 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C3CC[NH2+]CC3)cc2)CC1 ZINC000415318350 1188033007 /nfs/dbraw/zinc/03/30/07/1188033007.db2.gz GMFNITMDBYKWHW-UHFFFAOYSA-N 2 0 387.528 0.973 20 0 GCADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1CCC[NH2+]CC1 ZINC000415317906 1188033205 /nfs/dbraw/zinc/03/32/05/1188033205.db2.gz MARZTRNIHOVQQE-UHFFFAOYSA-N 2 0 385.512 0.979 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCN3CC[NH2+]CC3)cc2)C1 ZINC000415328349 1188039325 /nfs/dbraw/zinc/03/93/25/1188039325.db2.gz LTYAQJSDGWEOLY-KRWDZBQOSA-N 2 0 387.528 0.878 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000415340417 1188049342 /nfs/dbraw/zinc/04/93/42/1188049342.db2.gz MJVBTLRHWMKRFE-AWEZNQCLSA-N 2 0 375.473 0.726 20 0 GCADRP Cc1ccccc1CN1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000565046721 1188060742 /nfs/dbraw/zinc/06/07/42/1188060742.db2.gz QASXMNJXWZDOIK-NRFANRHFSA-N 2 0 385.556 0.619 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000415365209 1188063996 /nfs/dbraw/zinc/06/39/96/1188063996.db2.gz IWLRHAXHPAKXGY-UHFFFAOYSA-N 2 0 377.489 0.501 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)cc2)CC1 ZINC000415395781 1188070793 /nfs/dbraw/zinc/07/07/93/1188070793.db2.gz OIYCSQJSBWTGJU-SFHVURJKSA-N 2 0 387.528 0.831 20 0 GCADRP CCCN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000415393224 1188070849 /nfs/dbraw/zinc/07/08/49/1188070849.db2.gz OSWQKKSODHIGAE-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1NC(=O)CC[NH+](C)C ZINC000415425828 1188076410 /nfs/dbraw/zinc/07/64/10/1188076410.db2.gz CWBICMNPLLZWLA-AWEZNQCLSA-N 2 0 375.473 0.644 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000415437353 1188080432 /nfs/dbraw/zinc/08/04/32/1188080432.db2.gz PFHFWDWFWGEFSJ-CQSZACIVSA-N 2 0 375.473 0.726 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000415517405 1188097263 /nfs/dbraw/zinc/09/72/63/1188097263.db2.gz HKKZNUDLVBKRBJ-WMZOPIPTSA-N 2 0 387.528 0.958 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415530001 1188098444 /nfs/dbraw/zinc/09/84/44/1188098444.db2.gz BZAWVWMANMICSI-MRXNPFEDSA-N 2 0 389.500 0.629 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415564990 1188109487 /nfs/dbraw/zinc/10/94/87/1188109487.db2.gz UBBRPHUNWULQIZ-UHFFFAOYSA-N 2 0 389.500 0.773 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000415591815 1188116531 /nfs/dbraw/zinc/11/65/31/1188116531.db2.gz BDLGRSPTDCEZFE-CQSZACIVSA-N 2 0 375.473 0.903 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415600399 1188119233 /nfs/dbraw/zinc/11/92/33/1188119233.db2.gz HMMOOXCVUYGCLQ-HNNXBMFYSA-N 2 0 378.473 0.532 20 0 GCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893052972 1188121451 /nfs/dbraw/zinc/12/14/51/1188121451.db2.gz IZQFVIRWOUCBBH-MOPGFXCFSA-N 2 0 381.565 0.766 20 0 GCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893052973 1188121845 /nfs/dbraw/zinc/12/18/45/1188121845.db2.gz IZQFVIRWOUCBBH-OALUTQOASA-N 2 0 381.565 0.766 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1Cl ZINC000415606401 1188123596 /nfs/dbraw/zinc/12/35/96/1188123596.db2.gz YXEYUFDHLSLJPE-CYBMUJFWSA-N 2 0 384.864 0.405 20 0 GCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415677976 1188140363 /nfs/dbraw/zinc/14/03/63/1188140363.db2.gz VTAMQZDGHMJNKM-CALCHBBNSA-N 2 0 385.512 0.833 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000415704231 1188144518 /nfs/dbraw/zinc/14/45/18/1188144518.db2.gz GMAGAIRUFAVHQP-KRWDZBQOSA-N 2 0 389.500 0.072 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000415725173 1188149624 /nfs/dbraw/zinc/14/96/24/1188149624.db2.gz MIMPIYPFESFWFH-KRWDZBQOSA-N 2 0 389.500 0.072 20 0 GCADRP CCCN1Cc2cccc(NC(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2C1 ZINC000415720764 1188151236 /nfs/dbraw/zinc/15/12/36/1188151236.db2.gz FNNYVFRIQILSDR-KRWDZBQOSA-N 2 0 385.512 0.857 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000415721529 1188151836 /nfs/dbraw/zinc/15/18/36/1188151836.db2.gz GMHDVILENFTROX-QGZVFWFLSA-N 2 0 389.500 0.072 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)CC1 ZINC000415743634 1188156216 /nfs/dbraw/zinc/15/62/16/1188156216.db2.gz OJRRDGYIOUVDOR-VQTJNVASSA-N 2 0 399.539 0.877 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c(C)c2)CC1 ZINC000415812013 1189369220 /nfs/dbraw/zinc/36/92/20/1189369220.db2.gz CIBITTOTZOJKEA-APWZRJJASA-N 2 0 385.512 0.896 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C1 ZINC000415854943 1189382784 /nfs/dbraw/zinc/38/27/84/1189382784.db2.gz NTPTZJINQIAIHJ-APWZRJJASA-N 2 0 387.528 0.877 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415856417 1189386157 /nfs/dbraw/zinc/38/61/57/1189386157.db2.gz QKOWDDMWCLMRMC-IBGZPJMESA-N 2 0 387.528 0.673 20 0 GCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000415865749 1189388351 /nfs/dbraw/zinc/38/83/51/1189388351.db2.gz ZSWBUZVQOGLXQP-IBGZPJMESA-N 2 0 387.528 0.877 20 0 GCADRP Cc1cc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)ccc1OCC[NH+](C)C ZINC000415868180 1189389475 /nfs/dbraw/zinc/38/94/75/1189389475.db2.gz YAEXIMYIJWANJH-MRXNPFEDSA-N 2 0 378.473 0.450 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415863417 1189390835 /nfs/dbraw/zinc/39/08/35/1189390835.db2.gz XGRSHLRTDTZMSQ-MRXNPFEDSA-N 2 0 391.541 0.194 20 0 GCADRP COc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1OC ZINC000416813153 1189586169 /nfs/dbraw/zinc/58/61/69/1189586169.db2.gz MHWQXODZHAHYEA-JKSUJKDBSA-N 2 0 380.489 0.984 20 0 GCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151985557 1189593302 /nfs/dbraw/zinc/59/33/02/1189593302.db2.gz HLYPUBAKFKGTKC-OWCLPIDISA-N 2 0 378.521 0.866 20 0 GCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000416963480 1189601014 /nfs/dbraw/zinc/60/10/14/1189601014.db2.gz ZGCZPEHBDFEMMB-IAGOWNOFSA-N 2 0 375.521 0.805 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCN(C)CC1 ZINC000416963608 1189601332 /nfs/dbraw/zinc/60/13/32/1189601332.db2.gz VIBIHWKXVZSLEE-MSOLQXFVSA-N 2 0 396.580 0.288 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015986 1189607573 /nfs/dbraw/zinc/60/75/73/1189607573.db2.gz HUFRISQLJBBFQV-OALUTQOASA-N 2 0 375.517 0.734 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014822 1189608360 /nfs/dbraw/zinc/60/83/60/1189608360.db2.gz FYHUKMSCIUXZKW-RTBURBONSA-N 2 0 375.517 0.653 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCO1 ZINC000417024394 1189608778 /nfs/dbraw/zinc/60/87/78/1189608778.db2.gz QAAKBLFYRGMQCZ-LJQANCHMSA-N 2 0 375.517 0.958 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NCCN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000417026188 1189609701 /nfs/dbraw/zinc/60/97/01/1189609701.db2.gz SMXDSOQXERCLSB-HXUWFJFHSA-N 2 0 388.560 0.570 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(F)cc1 ZINC000417159102 1189626177 /nfs/dbraw/zinc/62/61/77/1189626177.db2.gz BUEDRKCJVRJIFD-RDJZCZTQSA-N 2 0 379.480 0.925 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000417158757 1189626337 /nfs/dbraw/zinc/62/63/37/1189626337.db2.gz OFQKCRZHKGWDGH-HXUWFJFHSA-N 2 0 389.544 0.954 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000584736700 1189644100 /nfs/dbraw/zinc/64/41/00/1189644100.db2.gz CGWRKKAAUVTUHH-OALUTQOASA-N 2 0 388.512 0.462 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417434705 1189663752 /nfs/dbraw/zinc/66/37/52/1189663752.db2.gz AGILHJIQVAWUKU-OAHLLOKOSA-N 2 0 395.470 0.623 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000417462721 1189668545 /nfs/dbraw/zinc/66/85/45/1189668545.db2.gz YERQAJXQDHYIAV-GOSISDBHSA-N 2 0 380.489 0.513 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417488262 1189672066 /nfs/dbraw/zinc/67/20/66/1189672066.db2.gz CHLAWDUGOCOOHN-OALUTQOASA-N 2 0 377.533 0.899 20 0 GCADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000417516880 1189675812 /nfs/dbraw/zinc/67/58/12/1189675812.db2.gz PDOGMEVBSJCSIL-IRXDYDNUSA-N 2 0 375.521 0.771 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000417512892 1189676662 /nfs/dbraw/zinc/67/66/62/1189676662.db2.gz IHKFSTABYTVWBB-QGZVFWFLSA-N 2 0 375.521 0.772 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC[C@H]21 ZINC000584825493 1189682382 /nfs/dbraw/zinc/68/23/82/1189682382.db2.gz AXDRPHZHRDKRSS-RTBURBONSA-N 2 0 392.544 0.500 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417589250 1189686139 /nfs/dbraw/zinc/68/61/39/1189686139.db2.gz GRTRIGJSGLKWOV-UHFFFAOYSA-N 2 0 375.517 0.866 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417594789 1189687334 /nfs/dbraw/zinc/68/73/34/1189687334.db2.gz MXHJRXXOXUZFAB-SFHVURJKSA-N 2 0 375.517 0.864 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417594786 1189687636 /nfs/dbraw/zinc/68/76/36/1189687636.db2.gz MXHJRXXOXUZFAB-GOSISDBHSA-N 2 0 375.517 0.864 20 0 GCADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000563064920 1189690871 /nfs/dbraw/zinc/69/08/71/1189690871.db2.gz NSHQIJXJNUJLTH-LJQANCHMSA-N 2 0 387.528 0.573 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000584860474 1189693688 /nfs/dbraw/zinc/69/36/88/1189693688.db2.gz RUWNKWVVUJKFTB-RBUKOAKNSA-N 2 0 394.560 0.671 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000660260614 1189695116 /nfs/dbraw/zinc/69/51/16/1189695116.db2.gz AGTBDYHUYGCIDI-OKZBNKHCSA-N 2 0 380.533 0.641 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417705522 1189698401 /nfs/dbraw/zinc/69/84/01/1189698401.db2.gz MBELAKOYEYYTKZ-WDYCEAGBSA-N 2 0 377.533 0.949 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000418179252 1189734464 /nfs/dbraw/zinc/73/44/64/1189734464.db2.gz XKHSIODIMOVKQH-AWEZNQCLSA-N 2 0 394.486 0.148 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000418287582 1189749172 /nfs/dbraw/zinc/74/91/72/1189749172.db2.gz KSSYRBOFRLCIDX-OALUTQOASA-N 2 0 375.517 0.735 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418296080 1189750510 /nfs/dbraw/zinc/75/05/10/1189750510.db2.gz IXGPCYKGMBTMTF-HXUWFJFHSA-N 2 0 375.517 0.170 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000364331907 1189751488 /nfs/dbraw/zinc/75/14/88/1189751488.db2.gz MVFVDFAGNHWICO-MSOLQXFVSA-N 2 0 395.548 0.435 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418295185 1189751626 /nfs/dbraw/zinc/75/16/26/1189751626.db2.gz HOYUYEZNJOSYOH-OALUTQOASA-N 2 0 375.517 0.074 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000418299476 1189753102 /nfs/dbraw/zinc/75/31/02/1189753102.db2.gz OAZXMZDFHFCIAB-UHFFFAOYSA-N 2 0 388.560 0.351 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)C1 ZINC000652693963 1189798732 /nfs/dbraw/zinc/79/87/32/1189798732.db2.gz KMRMESINJGFDRR-DZVNLGKHSA-N 2 0 378.517 0.474 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)C1 ZINC000652693965 1189799056 /nfs/dbraw/zinc/79/90/56/1189799056.db2.gz KMRMESINJGFDRR-ZBRFXRBCSA-N 2 0 378.517 0.474 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418509809 1189808450 /nfs/dbraw/zinc/80/84/50/1189808450.db2.gz AREWIMDJOBJNHG-SFHVURJKSA-N 2 0 389.544 0.964 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000500422933 1189823574 /nfs/dbraw/zinc/82/35/74/1189823574.db2.gz JMLNAIWWUWYXEA-UHFFFAOYSA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+](C)C1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCOCC1 ZINC000431986216 1189832018 /nfs/dbraw/zinc/83/20/18/1189832018.db2.gz KVWQVBSRGJZZSQ-UHFFFAOYSA-N 2 0 383.537 0.389 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670805133 1189881173 /nfs/dbraw/zinc/88/11/73/1189881173.db2.gz PIYDLTXSRFOWDB-IBGZPJMESA-N 2 0 393.576 0.461 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652125543 1189902292 /nfs/dbraw/zinc/90/22/92/1189902292.db2.gz XUANIMWEWOGYKI-SCTDSRPQSA-N 2 0 381.565 0.940 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000660586556 1189911552 /nfs/dbraw/zinc/91/15/52/1189911552.db2.gz ZADGWFXBKZRIQQ-SFHVURJKSA-N 2 0 379.549 0.995 20 0 GCADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660864836 1189959295 /nfs/dbraw/zinc/95/92/95/1189959295.db2.gz PLGMIFXWMYCSRX-WOJBJXKFSA-N 2 0 393.576 0.814 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000661085307 1189989715 /nfs/dbraw/zinc/98/97/15/1189989715.db2.gz VAPWPRDDLNAFBW-GOSISDBHSA-N 2 0 381.565 0.415 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cn1 ZINC000662747324 1190015869 /nfs/dbraw/zinc/01/58/69/1190015869.db2.gz ZZVSINWLMUAEJO-CQSZACIVSA-N 2 0 376.383 0.041 20 0 GCADRP O=C(NCC[NH+]1CCC(O)CC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000893445587 1190024355 /nfs/dbraw/zinc/02/43/55/1190024355.db2.gz OFCFQZLMQCHUKX-UHFFFAOYSA-N 2 0 390.528 0.899 20 0 GCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[C@H]2C1 ZINC000661403655 1190042839 /nfs/dbraw/zinc/04/28/39/1190042839.db2.gz YAIQTOPSSKTITP-ROUUACIJSA-N 2 0 378.517 0.110 20 0 GCADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833563 1190046135 /nfs/dbraw/zinc/04/61/35/1190046135.db2.gz SEKURTCDTWCRKN-IAGOWNOFSA-N 2 0 376.505 0.920 20 0 GCADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833564 1190046190 /nfs/dbraw/zinc/04/61/90/1190046190.db2.gz SEKURTCDTWCRKN-IRXDYDNUSA-N 2 0 376.505 0.920 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1=O ZINC000662866089 1190061933 /nfs/dbraw/zinc/06/19/33/1190061933.db2.gz CXFGKZRJSOVGNL-CGTJXYLNSA-N 2 0 376.476 0.798 20 0 GCADRP [NH3+][C@@H]1CCCCN(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000662867280 1190064351 /nfs/dbraw/zinc/06/43/51/1190064351.db2.gz WODUUDATEPJPGH-KBRIMQKVSA-N 2 0 380.439 0.866 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000419222887 1193721499 /nfs/dbraw/zinc/72/14/99/1193721499.db2.gz XQRBRNNLIUKXRE-INIZCTEOSA-N 2 0 376.501 0.749 20 0 GCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419223864 1193722501 /nfs/dbraw/zinc/72/25/01/1193722501.db2.gz YSHQNQIYIGLSPW-GOSISDBHSA-N 2 0 376.501 0.719 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000411033680 1193724429 /nfs/dbraw/zinc/72/44/29/1193724429.db2.gz WIWPZMDQBAWFIN-HKUYNNGSSA-N 2 0 393.576 0.554 20 0 GCADRP C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000663915105 1193727430 /nfs/dbraw/zinc/72/74/30/1193727430.db2.gz WLRAWPYVSRHQRN-CCKFTAQKSA-N 2 0 393.507 0.955 20 0 GCADRP C[C@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1CCCC[C@H]1C ZINC000512665133 1193729544 /nfs/dbraw/zinc/72/95/44/1193729544.db2.gz DQSSIXKYNKTWTE-RTBURBONSA-N 2 0 383.581 0.939 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419228679 1193734795 /nfs/dbraw/zinc/73/47/95/1193734795.db2.gz MRMXPRGGLMUJEV-BHIYHBOVSA-N 2 0 388.512 0.589 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000419231217 1193742185 /nfs/dbraw/zinc/74/21/85/1193742185.db2.gz RPKNPKOCFUENLZ-QGZVFWFLSA-N 2 0 380.533 0.724 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419235081 1193746434 /nfs/dbraw/zinc/74/64/34/1193746434.db2.gz YOWQYKBWYSLJGI-FNPVLLODSA-N 2 0 384.524 0.937 20 0 GCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419235186 1193746451 /nfs/dbraw/zinc/74/64/51/1193746451.db2.gz YOWQYKBWYSLJGI-PBWTXFEYSA-N 2 0 384.524 0.937 20 0 GCADRP NS(=O)(=O)N1CCc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc21 ZINC000433119724 1193754096 /nfs/dbraw/zinc/75/40/96/1193754096.db2.gz WDVDGWCFVIUPHY-UHFFFAOYSA-N 2 0 381.502 0.394 20 0 GCADRP CN(C)C(=O)COc1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433138243 1193763480 /nfs/dbraw/zinc/76/34/80/1193763480.db2.gz WWOKWIOCIPFYCM-UHFFFAOYSA-N 2 0 376.501 0.973 20 0 GCADRP CC(C)OC[C@H](CO)N(C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000433153090 1193767319 /nfs/dbraw/zinc/76/73/19/1193767319.db2.gz OFQGHRVLCUOVHR-SFHVURJKSA-N 2 0 385.549 0.855 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000433156812 1193769490 /nfs/dbraw/zinc/76/94/90/1193769490.db2.gz DBMMXOPOYLZYHH-UHFFFAOYSA-N 2 0 379.549 0.346 20 0 GCADRP Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433173409 1193774724 /nfs/dbraw/zinc/77/47/24/1193774724.db2.gz JWXVHLGKHDSPKV-UHFFFAOYSA-N 2 0 396.557 0.935 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433177044 1193774936 /nfs/dbraw/zinc/77/49/36/1193774936.db2.gz PPBZBUKJBPWGOQ-UHFFFAOYSA-N 2 0 386.504 0.215 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1)C1CCCC1 ZINC000419273240 1193780206 /nfs/dbraw/zinc/78/02/06/1193780206.db2.gz WQVIWYPUCHSTRK-LJQANCHMSA-N 2 0 388.512 0.769 20 0 GCADRP CCCN(C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000419273214 1193780336 /nfs/dbraw/zinc/78/03/36/1193780336.db2.gz WPEZYCHULDFVQW-LJQANCHMSA-N 2 0 388.512 0.736 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419292116 1193789924 /nfs/dbraw/zinc/78/99/24/1193789924.db2.gz XRVKXUYETPFCLC-GDBMZVCRSA-N 2 0 391.491 0.623 20 0 GCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000509822286 1193790290 /nfs/dbraw/zinc/79/02/90/1193790290.db2.gz FMZIQNQJTJQMHN-HNNXBMFYSA-N 2 0 389.500 0.469 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCCOCC1 ZINC000458835041 1193791058 /nfs/dbraw/zinc/79/10/58/1193791058.db2.gz CGROBUAYAQIYCK-NRFANRHFSA-N 2 0 390.528 0.987 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419293876 1193791959 /nfs/dbraw/zinc/79/19/59/1193791959.db2.gz BMWBYUWCAVVGMS-ZBFHGGJFSA-N 2 0 391.491 0.704 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419295984 1193793105 /nfs/dbraw/zinc/79/31/05/1193793105.db2.gz DKBDRMVGORTXOU-CQSZACIVSA-N 2 0 391.491 0.704 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419300208 1193794467 /nfs/dbraw/zinc/79/44/67/1193794467.db2.gz LGRBXFLDTFZNTG-LSDHHAIUSA-N 2 0 393.507 0.950 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419301398 1193795155 /nfs/dbraw/zinc/79/51/55/1193795155.db2.gz NWMSCYGBMZKRPP-GOEBONIOSA-N 2 0 391.491 0.623 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419301397 1193795561 /nfs/dbraw/zinc/79/55/61/1193795561.db2.gz NWMSCYGBMZKRPP-GDBMZVCRSA-N 2 0 391.491 0.623 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419304284 1193795690 /nfs/dbraw/zinc/79/56/90/1193795690.db2.gz ULKUYMMDWSPNHE-HUUCEWRRSA-N 2 0 391.491 0.562 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419304283 1193795758 /nfs/dbraw/zinc/79/57/58/1193795758.db2.gz ULKUYMMDWSPNHE-GJZGRUSLSA-N 2 0 391.491 0.562 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419303776 1193797407 /nfs/dbraw/zinc/79/74/07/1193797407.db2.gz SOUOFIUBOILRJS-AWEZNQCLSA-N 2 0 377.464 0.187 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419303009 1193797871 /nfs/dbraw/zinc/79/78/71/1193797871.db2.gz RCJUDKQDJJZLCD-HUUCEWRRSA-N 2 0 393.507 0.726 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419305843 1193798448 /nfs/dbraw/zinc/79/84/48/1193798448.db2.gz XMGRMJFWGOIPJG-LSDHHAIUSA-N 2 0 393.507 0.998 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419305879 1193798585 /nfs/dbraw/zinc/79/85/85/1193798585.db2.gz XRVKXUYETPFCLC-ZBFHGGJFSA-N 2 0 391.491 0.623 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412001653 1193799177 /nfs/dbraw/zinc/79/91/77/1193799177.db2.gz HIRHUGKFTHFBKW-SFHVURJKSA-N 2 0 394.585 0.971 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000263248146 1193815013 /nfs/dbraw/zinc/81/50/13/1193815013.db2.gz NTZRTPXNALFYCJ-INIZCTEOSA-N 2 0 377.445 0.194 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000428754821 1193819245 /nfs/dbraw/zinc/81/92/45/1193819245.db2.gz VVXXSXACVAXZEG-DOTOQJQBSA-N 2 0 381.521 0.221 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419327439 1193822110 /nfs/dbraw/zinc/82/21/10/1193822110.db2.gz CXWHMNPKMMSFEM-AEFFLSMTSA-N 2 0 388.512 0.844 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000419329970 1193822429 /nfs/dbraw/zinc/82/24/29/1193822429.db2.gz FQOSCAMFSLTIQY-IBGZPJMESA-N 2 0 387.528 0.261 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419331868 1193824711 /nfs/dbraw/zinc/82/47/11/1193824711.db2.gz HIDDHOGKQIRUBC-SFHVURJKSA-N 2 0 392.500 0.210 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C)CC[NH3+])cc2)CC1 ZINC000419335793 1193828011 /nfs/dbraw/zinc/82/80/11/1193828011.db2.gz KCEXMLAAMPAHCZ-MRXNPFEDSA-N 2 0 375.517 0.294 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1OC ZINC000419335806 1193828169 /nfs/dbraw/zinc/82/81/69/1193828169.db2.gz KDMDDFGQBDAHAA-UHFFFAOYSA-N 2 0 392.500 0.464 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)NC2CC[NH2+]CC2)cc1 ZINC000419338630 1193832278 /nfs/dbraw/zinc/83/22/78/1193832278.db2.gz LRMDOGCRDBQMNV-UHFFFAOYSA-N 2 0 376.501 0.892 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccsc1 ZINC000419367642 1193868674 /nfs/dbraw/zinc/86/86/74/1193868674.db2.gz DMNQVWIQEJMXRP-HZPDHXFCSA-N 2 0 382.530 0.823 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000419367586 1193869658 /nfs/dbraw/zinc/86/96/58/1193869658.db2.gz DGRSYSNIKXLDEC-HZPDHXFCSA-N 2 0 382.530 0.742 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419372395 1193875622 /nfs/dbraw/zinc/87/56/22/1193875622.db2.gz KPHSLTFPQSAZCF-MSOLQXFVSA-N 2 0 388.512 0.167 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)Cc2ccccc2C1 ZINC000419373020 1193876348 /nfs/dbraw/zinc/87/63/48/1193876348.db2.gz LWZZTNQNNAWRPV-IPMKNSEASA-N 2 0 384.524 0.788 20 0 GCADRP CCC(CC)(NC(=O)C1C[NH+](CCCN2CC[NH+](C(C)C)CC2)C1)C(N)=O ZINC000513235764 1193926827 /nfs/dbraw/zinc/92/68/27/1193926827.db2.gz FGUOIAJUZWBAEJ-UHFFFAOYSA-N 2 0 381.565 0.495 20 0 GCADRP C[N@H+](CCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1)C1CCOCC1 ZINC000262505137 1193949615 /nfs/dbraw/zinc/94/96/15/1193949615.db2.gz LGRXUHLBOZONTM-IEBWSBKVSA-N 2 0 377.485 0.515 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000513468717 1193954290 /nfs/dbraw/zinc/95/42/90/1193954290.db2.gz JLYUOTAJWMNKFD-SJORKVTESA-N 2 0 382.549 0.650 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)(C)C[NH+](C)C ZINC000513469548 1193954699 /nfs/dbraw/zinc/95/46/99/1193954699.db2.gz QGPHFLZHJWVMHA-RYQLBKOJSA-N 2 0 396.576 0.963 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513475497 1193955336 /nfs/dbraw/zinc/95/53/36/1193955336.db2.gz KJYCQLUCOAAJIC-SQNIBIBYSA-N 2 0 395.592 0.563 20 0 GCADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000458843117 1193960758 /nfs/dbraw/zinc/96/07/58/1193960758.db2.gz MMWCEEUTOZHMLB-RTBURBONSA-N 2 0 376.501 0.643 20 0 GCADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000458843115 1193960970 /nfs/dbraw/zinc/96/09/70/1193960970.db2.gz MMWCEEUTOZHMLB-OALUTQOASA-N 2 0 376.501 0.643 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)N1CCOCC1 ZINC000549940898 1193965389 /nfs/dbraw/zinc/96/53/89/1193965389.db2.gz NBRYFGIUMAWMON-QGZVFWFLSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)n1 ZINC000894234099 1193968566 /nfs/dbraw/zinc/96/85/66/1193968566.db2.gz RWOBENAUYLGVJW-VSZNYVQBSA-N 2 0 392.548 0.259 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419404598 1194021301 /nfs/dbraw/zinc/02/13/01/1194021301.db2.gz UBYQXNMAHTYESU-NJAFHUGGSA-N 2 0 390.553 0.916 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000419407123 1194021671 /nfs/dbraw/zinc/02/16/71/1194021671.db2.gz XTFVEXWAZAUSIY-KRWDZBQOSA-N 2 0 378.542 0.788 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419420457 1194023276 /nfs/dbraw/zinc/02/32/76/1194023276.db2.gz NAPOKKONPBTGPU-IEBWSBKVSA-N 2 0 389.544 0.453 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419421593 1194023611 /nfs/dbraw/zinc/02/36/11/1194023611.db2.gz LPQMNSGXYXHJDY-NXHRZFHOSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427511 1194026657 /nfs/dbraw/zinc/02/66/57/1194026657.db2.gz ZBSIBXOAFLWOPK-FUHWJXTLSA-N 2 0 375.517 0.287 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419426869 1194026744 /nfs/dbraw/zinc/02/67/44/1194026744.db2.gz YFOYBILESMYNPJ-UHFFFAOYSA-N 2 0 389.544 0.758 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427142 1194027349 /nfs/dbraw/zinc/02/73/49/1194027349.db2.gz YOICSTYSWLJREV-SJLPKXTDSA-N 2 0 375.517 0.192 20 0 GCADRP CC[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419411316 1194029620 /nfs/dbraw/zinc/02/96/20/1194029620.db2.gz HNBOLXWPYBMXNA-ROUUACIJSA-N 2 0 376.501 0.637 20 0 GCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419412906 1194030551 /nfs/dbraw/zinc/03/05/51/1194030551.db2.gz DVMAVHUCMYGEFD-MSOLQXFVSA-N 2 0 387.528 0.559 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000419414854 1194030591 /nfs/dbraw/zinc/03/05/91/1194030591.db2.gz HHFMNHHOLIIRJH-MOPGFXCFSA-N 2 0 387.528 0.302 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411953 1194030834 /nfs/dbraw/zinc/03/08/34/1194030834.db2.gz CJHGETAAOQRYBA-RBUKOAKNSA-N 2 0 387.528 0.335 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000419415654 1194031486 /nfs/dbraw/zinc/03/14/86/1194031486.db2.gz VOJMFTQQFMZHFN-FUHWJXTLSA-N 2 0 376.476 0.927 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000419508177 1194048515 /nfs/dbraw/zinc/04/85/15/1194048515.db2.gz QNZCBUDXKPGHBC-MRXNPFEDSA-N 2 0 392.500 0.080 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000419510253 1194049954 /nfs/dbraw/zinc/04/99/54/1194049954.db2.gz GNLKPPDUEIQKPI-QUCCMNQESA-N 2 0 399.539 0.444 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419534713 1194050483 /nfs/dbraw/zinc/05/04/83/1194050483.db2.gz KIXGOXDKQXVUHG-RBUKOAKNSA-N 2 0 388.512 0.557 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000419513673 1194050836 /nfs/dbraw/zinc/05/08/36/1194050836.db2.gz MPGVGHSBTVFTTB-LJQANCHMSA-N 2 0 387.528 0.573 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419512757 1194051162 /nfs/dbraw/zinc/05/11/62/1194051162.db2.gz KUVOXSUSNCWAAB-SFHVURJKSA-N 2 0 387.528 0.492 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000419514958 1194051575 /nfs/dbraw/zinc/05/15/75/1194051575.db2.gz QCKNTPYZXMJALX-KRWDZBQOSA-N 2 0 375.517 0.477 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000419517017 1194052196 /nfs/dbraw/zinc/05/21/96/1194052196.db2.gz VTTVAGRZUBCULN-LJQANCHMSA-N 2 0 387.528 0.477 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000419557794 1194054262 /nfs/dbraw/zinc/05/42/62/1194054262.db2.gz LQXBSCUMBPOMMT-GOEBONIOSA-N 2 0 382.530 0.599 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419535502 1194055231 /nfs/dbraw/zinc/05/52/31/1194055231.db2.gz LFKBIBDJIVNROP-UHOSZYNNSA-N 2 0 390.528 0.926 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000419536405 1194055280 /nfs/dbraw/zinc/05/52/80/1194055280.db2.gz MFCZXYKGWWDNPB-ZWKOTPCHSA-N 2 0 376.501 0.762 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000419544759 1194056991 /nfs/dbraw/zinc/05/69/91/1194056991.db2.gz LJRSNFOOYWNPBO-BHYGNILZSA-N 2 0 382.549 0.824 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419549406 1194057351 /nfs/dbraw/zinc/05/73/51/1194057351.db2.gz VQBVIVAPXWXBTB-OTWHNJEPSA-N 2 0 388.512 0.490 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419549306 1194057519 /nfs/dbraw/zinc/05/75/19/1194057519.db2.gz VLFCHEUAGNZLCW-AEFFLSMTSA-N 2 0 376.501 0.633 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCSC1 ZINC000419577801 1194059801 /nfs/dbraw/zinc/05/98/01/1194059801.db2.gz FAEQBLLHQWXAPS-FRQCXROJSA-N 2 0 394.516 0.632 20 0 GCADRP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C(=O)NCC[NH3+])cc2)C[C@H]1C ZINC000419583386 1194060766 /nfs/dbraw/zinc/06/07/66/1194060766.db2.gz DCAWVJMIGPBLRM-HZPDHXFCSA-N 2 0 376.501 0.387 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419596023 1194067874 /nfs/dbraw/zinc/06/78/74/1194067874.db2.gz XKMWBJGADKRYNQ-KURKYZTESA-N 2 0 380.533 0.722 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419649500 1194077079 /nfs/dbraw/zinc/07/70/79/1194077079.db2.gz BWMABNBTDKYCPH-RDJZCZTQSA-N 2 0 376.501 0.481 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419650199 1194077164 /nfs/dbraw/zinc/07/71/64/1194077164.db2.gz CFKADCRIFQSXFY-QGZVFWFLSA-N 2 0 376.501 0.496 20 0 GCADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000419663871 1194077689 /nfs/dbraw/zinc/07/76/89/1194077689.db2.gz KYECBSFZHXLKSI-QGZVFWFLSA-N 2 0 393.536 0.525 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000419667835 1194078941 /nfs/dbraw/zinc/07/89/41/1194078941.db2.gz SUVIKVOKNUALKP-QZTJIDSGSA-N 2 0 394.560 0.970 20 0 GCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419678042 1194080269 /nfs/dbraw/zinc/08/02/69/1194080269.db2.gz OFNFXHDBAJWALZ-QGZVFWFLSA-N 2 0 380.533 0.644 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000419660672 1194082350 /nfs/dbraw/zinc/08/23/50/1194082350.db2.gz LOBFSZHELQOEAF-UHFFFAOYSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@H](NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419660989 1194082473 /nfs/dbraw/zinc/08/24/73/1194082473.db2.gz LWVVBLNOKAXYRN-FUHWJXTLSA-N 2 0 390.528 0.790 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419689047 1194084982 /nfs/dbraw/zinc/08/49/82/1194084982.db2.gz IBYPCVHONOSJPD-GJZGRUSLSA-N 2 0 398.573 0.693 20 0 GCADRP COc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000419691786 1194086310 /nfs/dbraw/zinc/08/63/10/1194086310.db2.gz FZQZLLDDOKMFBJ-OAHLLOKOSA-N 2 0 378.473 0.785 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000419712263 1194091112 /nfs/dbraw/zinc/09/11/12/1194091112.db2.gz LAZYSZVWYUKMIN-DLBZAZTESA-N 2 0 395.548 0.213 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CCCC2)CC1 ZINC000419749141 1194095863 /nfs/dbraw/zinc/09/58/63/1194095863.db2.gz GNIHAGHVXLNKPP-MRXNPFEDSA-N 2 0 380.533 0.866 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419748474 1194096399 /nfs/dbraw/zinc/09/63/99/1194096399.db2.gz VARJZXVWVBGGMA-INIZCTEOSA-N 2 0 393.919 0.446 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]1 ZINC000419753615 1194097857 /nfs/dbraw/zinc/09/78/57/1194097857.db2.gz YWJBYATZWFKDMH-UHFFFAOYSA-N 2 0 388.512 0.470 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CCCC2)CC1 ZINC000419753590 1194098072 /nfs/dbraw/zinc/09/80/72/1194098072.db2.gz NYWUCDGXVVUFMQ-IRXDYDNUSA-N 2 0 394.560 0.970 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CCCC2)CC1 ZINC000419753996 1194098117 /nfs/dbraw/zinc/09/81/17/1194098117.db2.gz OISUJLBYZLCAFE-HOTGVXAUSA-N 2 0 380.533 0.722 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000419759211 1194098417 /nfs/dbraw/zinc/09/84/17/1194098417.db2.gz WZMKZDPGIKVGFA-KRWDZBQOSA-N 2 0 394.560 0.984 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419738633 1194099865 /nfs/dbraw/zinc/09/98/65/1194099865.db2.gz VBCDTEGGCJLBPR-UHFFFAOYSA-N 2 0 389.544 0.554 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419764203 1194101680 /nfs/dbraw/zinc/10/16/80/1194101680.db2.gz VURHRHAISDDDRJ-BBRMVZONSA-N 2 0 380.464 0.603 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000419769817 1194102299 /nfs/dbraw/zinc/10/22/99/1194102299.db2.gz WDQJGFFFPCSUJQ-MOPGFXCFSA-N 2 0 388.512 0.508 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419768627 1194102306 /nfs/dbraw/zinc/10/23/06/1194102306.db2.gz CTUMLGVTUUTLHO-CVEARBPZSA-N 2 0 391.520 0.137 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419801025 1194105682 /nfs/dbraw/zinc/10/56/82/1194105682.db2.gz IYMPMFGISVYOPJ-HDICACEKSA-N 2 0 393.576 0.781 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000419798369 1194105720 /nfs/dbraw/zinc/10/57/20/1194105720.db2.gz ADNZECCQIRCSBO-UHFFFAOYSA-N 2 0 380.533 0.868 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)C ZINC000419796543 1194105874 /nfs/dbraw/zinc/10/58/74/1194105874.db2.gz OYVWVJVGCLZNAB-INIZCTEOSA-N 2 0 383.537 0.068 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000419800661 1194106123 /nfs/dbraw/zinc/10/61/23/1194106123.db2.gz IKFUFYJDDLFOLF-MRXNPFEDSA-N 2 0 379.549 0.391 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419801684 1194106347 /nfs/dbraw/zinc/10/63/47/1194106347.db2.gz BNOUTJDNERXCQL-QAPCUYQASA-N 2 0 376.501 0.920 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419802819 1194106726 /nfs/dbraw/zinc/10/67/26/1194106726.db2.gz AWRLUSPUKYYZMG-SFHVURJKSA-N 2 0 395.592 0.805 20 0 GCADRP O=C(NCCC[NH2+]Cc1cccnc1)C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000419846349 1194113840 /nfs/dbraw/zinc/11/38/40/1194113840.db2.gz HDTODMHKWWJITC-SFHVURJKSA-N 2 0 383.452 0.752 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419846175 1194120277 /nfs/dbraw/zinc/12/02/77/1194120277.db2.gz PDRRHKZQFVULGE-CALCHBBNSA-N 2 0 379.549 0.262 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419856549 1194123012 /nfs/dbraw/zinc/12/30/12/1194123012.db2.gz JBZKNKHIAKEUOA-JZXOWHBKSA-N 2 0 380.533 0.450 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000419860743 1194123914 /nfs/dbraw/zinc/12/39/14/1194123914.db2.gz COAJOOSXBNJZCE-UHFFFAOYSA-N 2 0 379.549 0.122 20 0 GCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)CC1 ZINC000419866540 1194126889 /nfs/dbraw/zinc/12/68/89/1194126889.db2.gz BHQPPXSWQHQHSY-UHFFFAOYSA-N 2 0 393.576 0.367 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000419870615 1194128022 /nfs/dbraw/zinc/12/80/22/1194128022.db2.gz OWFYIAZFZVKVIA-SFHVURJKSA-N 2 0 375.517 0.125 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419874519 1194129579 /nfs/dbraw/zinc/12/95/79/1194129579.db2.gz ZUEUGJOLNSCQLH-ZIFCJYIRSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419884533 1194132828 /nfs/dbraw/zinc/13/28/28/1194132828.db2.gz OBNSWDGVWOWNJH-GOSISDBHSA-N 2 0 393.576 0.511 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419904105 1194137286 /nfs/dbraw/zinc/13/72/86/1194137286.db2.gz PJKZIGRBIFAYFP-NEWSRXKRSA-N 2 0 393.576 0.650 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000419903028 1194137520 /nfs/dbraw/zinc/13/75/20/1194137520.db2.gz URCRJIBRPFQDAS-RTBURBONSA-N 2 0 388.512 0.811 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000419914287 1194138210 /nfs/dbraw/zinc/13/82/10/1194138210.db2.gz BQPNAIUUMXYLSI-LPHOPBHVSA-N 2 0 387.528 0.430 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419907473 1194140911 /nfs/dbraw/zinc/14/09/11/1194140911.db2.gz GBJUMGXCKAVWED-CALCHBBNSA-N 2 0 382.549 0.840 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419911891 1194142713 /nfs/dbraw/zinc/14/27/13/1194142713.db2.gz KJFVBFMMIKJEQG-ZWKOTPCHSA-N 2 0 376.501 0.762 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419911870 1194142781 /nfs/dbraw/zinc/14/27/81/1194142781.db2.gz GAEUDPCQHSWGMF-BQFCYCMXSA-N 2 0 380.533 0.593 20 0 GCADRP [NH3+][C@H](CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000419935795 1194145475 /nfs/dbraw/zinc/14/54/75/1194145475.db2.gz SSPNTNMACKYBIB-LJQANCHMSA-N 2 0 388.512 0.906 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419959454 1194148083 /nfs/dbraw/zinc/14/80/83/1194148083.db2.gz DEGOGARBTAUPTJ-GOSISDBHSA-N 2 0 382.549 0.970 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419964235 1194148507 /nfs/dbraw/zinc/14/85/07/1194148507.db2.gz WZODVKCWBZBCON-NJAFHUGGSA-N 2 0 381.565 0.493 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419970528 1194149507 /nfs/dbraw/zinc/14/95/07/1194149507.db2.gz VCPAGQPOFIYJKN-INIZCTEOSA-N 2 0 389.500 0.763 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419992822 1194154121 /nfs/dbraw/zinc/15/41/21/1194154121.db2.gz IBPRQDONTQMKKE-YLJYHZDGSA-N 2 0 376.501 0.181 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419995097 1194154445 /nfs/dbraw/zinc/15/44/45/1194154445.db2.gz HSAOJBCPZJIZCJ-SCTDSRPQSA-N 2 0 394.560 0.983 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420000276 1194155615 /nfs/dbraw/zinc/15/56/15/1194155615.db2.gz SXJZYJBZRHNPOZ-BBTUJRGHSA-N 2 0 388.512 0.325 20 0 GCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420007630 1194157090 /nfs/dbraw/zinc/15/70/90/1194157090.db2.gz ZRDQUMYIKFMMKC-LJQANCHMSA-N 2 0 394.560 0.843 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)o1 ZINC000420023596 1194158297 /nfs/dbraw/zinc/15/82/97/1194158297.db2.gz AUHIKPPSAQHILP-HOCLYGCPSA-N 2 0 380.489 0.707 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000420017250 1194162717 /nfs/dbraw/zinc/16/27/17/1194162717.db2.gz NYTQGNTULABTAE-GDBMZVCRSA-N 2 0 375.473 0.373 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000420055994 1194163313 /nfs/dbraw/zinc/16/33/13/1194163313.db2.gz LXTNDDNSPCDUJI-UHFFFAOYSA-N 2 0 382.549 0.720 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000420042460 1194166627 /nfs/dbraw/zinc/16/66/27/1194166627.db2.gz QRKJGVBAFIKLRU-DZGCQCFKSA-N 2 0 382.530 0.868 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420041702 1194167027 /nfs/dbraw/zinc/16/70/27/1194167027.db2.gz CGQQYLOCQFZQNI-UHFFFAOYSA-N 2 0 391.516 0.129 20 0 GCADRP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420046367 1194168218 /nfs/dbraw/zinc/16/82/18/1194168218.db2.gz AAOGJNJDFBJKGB-DLBZAZTESA-N 2 0 381.565 0.636 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420043660 1194168343 /nfs/dbraw/zinc/16/83/43/1194168343.db2.gz OUDXQCBJFMGKIG-JOCBIADPSA-N 2 0 380.533 0.578 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420048639 1194169567 /nfs/dbraw/zinc/16/95/67/1194169567.db2.gz YLJDDKNMQSQTOT-UHFFFAOYSA-N 2 0 394.560 0.986 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420054926 1194170637 /nfs/dbraw/zinc/17/06/37/1194170637.db2.gz HQBKFFUILLXIRY-DZGCQCFKSA-N 2 0 382.530 0.868 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420055375 1194171060 /nfs/dbraw/zinc/17/10/60/1194171060.db2.gz GNHYXYKCPDKFCK-DAYGRLMNSA-N 2 0 380.533 0.578 20 0 GCADRP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420084512 1194174293 /nfs/dbraw/zinc/17/42/93/1194174293.db2.gz ABKOXTUYQZTDHU-ROUUACIJSA-N 2 0 393.576 0.780 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[NH2+]C3CCCCCC3)C2)CC1 ZINC000420065978 1194176010 /nfs/dbraw/zinc/17/60/10/1194176010.db2.gz YFNXOUXJXRQDPL-IBGZPJMESA-N 2 0 393.576 0.653 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000420109875 1194181435 /nfs/dbraw/zinc/18/14/35/1194181435.db2.gz FEGAAMJMSXSXOC-IMBTUZDBSA-N 2 0 394.560 0.839 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420112080 1194181783 /nfs/dbraw/zinc/18/17/83/1194181783.db2.gz AGFYBIPWSUQXCH-SFHVURJKSA-N 2 0 382.549 0.971 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000420136984 1194184763 /nfs/dbraw/zinc/18/47/63/1194184763.db2.gz WPNIVUVAPNGNRA-YWTNHNAXSA-N 2 0 394.560 0.981 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000420136975 1194184851 /nfs/dbraw/zinc/18/48/51/1194184851.db2.gz WPNIVUVAPNGNRA-VXIBKDFQSA-N 2 0 394.560 0.981 20 0 GCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000420114674 1194185356 /nfs/dbraw/zinc/18/53/56/1194185356.db2.gz GATLVXYMNZCYBR-AEFFLSMTSA-N 2 0 388.512 0.893 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420118066 1194186469 /nfs/dbraw/zinc/18/64/69/1194186469.db2.gz JVHVKQYNYSVPKC-HDICACEKSA-N 2 0 393.576 0.509 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000420120360 1194186978 /nfs/dbraw/zinc/18/69/78/1194186978.db2.gz KNJBRVVQZGLOQL-QGZVFWFLSA-N 2 0 381.565 0.496 20 0 GCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420119169 1194187083 /nfs/dbraw/zinc/18/70/83/1194187083.db2.gz NEXKAVFMLUFYCT-HGHGUNKESA-N 2 0 388.512 0.196 20 0 GCADRP COc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000420142149 1194192371 /nfs/dbraw/zinc/19/23/71/1194192371.db2.gz ZVUSTYJQBBCRNQ-AEFFLSMTSA-N 2 0 388.512 0.986 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420140744 1194192465 /nfs/dbraw/zinc/19/24/65/1194192465.db2.gz HASRVJKOWYORLG-SOLBZPMBSA-N 2 0 382.549 0.968 20 0 GCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000420140903 1194192485 /nfs/dbraw/zinc/19/24/85/1194192485.db2.gz QPIKVEJXIYAETD-UHFFFAOYSA-N 2 0 392.422 0.136 20 0 GCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420154914 1194194928 /nfs/dbraw/zinc/19/49/28/1194194928.db2.gz CPRPQTRMQXPJSV-DOTOQJQBSA-N 2 0 382.549 0.432 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420177122 1194195415 /nfs/dbraw/zinc/19/54/15/1194195415.db2.gz RNEJPNKEWLPTRL-IRXDYDNUSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000501586425 1194195925 /nfs/dbraw/zinc/19/59/25/1194195925.db2.gz FMDVZPYAOMCLBV-CVEARBPZSA-N 2 0 382.549 0.696 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1)CC1CC1 ZINC000420183504 1194197682 /nfs/dbraw/zinc/19/76/82/1194197682.db2.gz HAGHUUULMMXCRE-LJQANCHMSA-N 2 0 394.560 0.842 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420184516 1194197897 /nfs/dbraw/zinc/19/78/97/1194197897.db2.gz NWRUTPZQKRCFNX-IRXDYDNUSA-N 2 0 398.548 0.077 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000420183231 1194197919 /nfs/dbraw/zinc/19/79/19/1194197919.db2.gz GNNIDGUUWGHGPF-RDJZCZTQSA-N 2 0 376.501 0.829 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420184720 1194198211 /nfs/dbraw/zinc/19/82/11/1194198211.db2.gz BAQYTMTTZRHGLT-ZWKOTPCHSA-N 2 0 382.549 0.827 20 0 GCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420185677 1194198418 /nfs/dbraw/zinc/19/84/18/1194198418.db2.gz KHBSBLGXQFNKMH-SFHVURJKSA-N 2 0 376.501 0.591 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420186101 1194198813 /nfs/dbraw/zinc/19/88/13/1194198813.db2.gz PSYKULHVABOENH-PKOBYXMFSA-N 2 0 390.528 0.850 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420186328 1194199087 /nfs/dbraw/zinc/19/90/87/1194199087.db2.gz APXBHCYVIPRPOB-INIZCTEOSA-N 2 0 382.892 0.335 20 0 GCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420170532 1194200041 /nfs/dbraw/zinc/20/00/41/1194200041.db2.gz SDRNCZYCZYXQQS-ZWKOTPCHSA-N 2 0 393.576 0.509 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420174610 1194201314 /nfs/dbraw/zinc/20/13/14/1194201314.db2.gz UAULAHPMVALDMU-UZLBHIALSA-N 2 0 376.501 0.196 20 0 GCADRP C[C@@H](O)CCN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420199065 1194203014 /nfs/dbraw/zinc/20/30/14/1194203014.db2.gz DAXULURJKBYJNQ-MRXNPFEDSA-N 2 0 376.501 0.325 20 0 GCADRP CSCCN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420201639 1194203749 /nfs/dbraw/zinc/20/37/49/1194203749.db2.gz IIOZSURWOBGVNX-UHFFFAOYSA-N 2 0 378.542 0.918 20 0 GCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420204024 1194204830 /nfs/dbraw/zinc/20/48/30/1194204830.db2.gz QQHMGMUHUTYOAC-HNNXBMFYSA-N 2 0 382.530 0.523 20 0 GCADRP C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420205081 1194204931 /nfs/dbraw/zinc/20/49/31/1194204931.db2.gz NHDVWRYCPGVMHF-AEFFLSMTSA-N 2 0 388.512 0.325 20 0 GCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420207232 1194205462 /nfs/dbraw/zinc/20/54/62/1194205462.db2.gz TWMBLNAJHBIYHP-BHIYHBOVSA-N 2 0 388.512 0.603 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420190202 1194207022 /nfs/dbraw/zinc/20/70/22/1194207022.db2.gz PBQRBARHKYSAIF-KRWDZBQOSA-N 2 0 380.464 0.211 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501595718 1194207847 /nfs/dbraw/zinc/20/78/47/1194207847.db2.gz HEICCQYDWMHLRO-VQIMIIECSA-N 2 0 392.544 0.737 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H](C)O1 ZINC000501622158 1194209562 /nfs/dbraw/zinc/20/95/62/1194209562.db2.gz IIERKONUVIOOBA-ZHALLVOQSA-N 2 0 394.560 0.983 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624369 1194210106 /nfs/dbraw/zinc/21/01/06/1194210106.db2.gz NSCIUXJPHZHAPA-RBUKOAKNSA-N 2 0 394.560 0.936 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501624367 1194210136 /nfs/dbraw/zinc/21/01/36/1194210136.db2.gz NSCIUXJPHZHAPA-MOPGFXCFSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@@]1(O)CCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420213965 1194213848 /nfs/dbraw/zinc/21/38/48/1194213848.db2.gz ZLDUVLCFMHCMHZ-HXUWFJFHSA-N 2 0 388.512 0.470 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501634549 1194216137 /nfs/dbraw/zinc/21/61/37/1194216137.db2.gz DNJMGCNNQCBWMZ-QZTJIDSGSA-N 2 0 394.560 0.794 20 0 GCADRP Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@]2(O)CC[NH+](C)C2)cn1 ZINC000501650563 1194220065 /nfs/dbraw/zinc/22/00/65/1194220065.db2.gz PFTRDVXYEQHLRH-URVUXULASA-N 2 0 397.523 0.819 20 0 GCADRP C[N@H+](CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C[C@@H](O)C[NH3+] ZINC000420358745 1194223729 /nfs/dbraw/zinc/22/37/29/1194223729.db2.gz UUQHDXOIBKOHAZ-HNNXBMFYSA-N 2 0 384.502 0.051 20 0 GCADRP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406781 1194228518 /nfs/dbraw/zinc/22/85/18/1194228518.db2.gz SCMHEAQTAPNBSP-PGBRGIIUSA-N 2 0 378.517 0.955 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000501827335 1194232436 /nfs/dbraw/zinc/23/24/36/1194232436.db2.gz KPHWRQWMBIZOOF-FUHIMQAGSA-N 2 0 390.528 0.850 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652727395 1194362325 /nfs/dbraw/zinc/36/23/25/1194362325.db2.gz POKIRYIEQKRMMS-FJIDUMEYSA-N 2 0 380.533 0.532 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652727397 1194362883 /nfs/dbraw/zinc/36/28/83/1194362883.db2.gz POKIRYIEQKRMMS-XLAORIBOSA-N 2 0 380.533 0.532 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000502929935 1194368432 /nfs/dbraw/zinc/36/84/32/1194368432.db2.gz WBWYAHBKVZQFLK-QGZVFWFLSA-N 2 0 397.545 0.941 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422116776 1194394270 /nfs/dbraw/zinc/39/42/70/1194394270.db2.gz LFIFWUSSUPKTSZ-KRWDZBQOSA-N 2 0 382.549 0.888 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000422123199 1194396393 /nfs/dbraw/zinc/39/63/93/1194396393.db2.gz XPCWBQDPQMZLOP-IBGZPJMESA-N 2 0 393.576 0.558 20 0 GCADRP CC(C)N(C[C@@H](O)CO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422157324 1194402600 /nfs/dbraw/zinc/40/26/00/1194402600.db2.gz ONGGTGCOBDWHHH-GOSISDBHSA-N 2 0 379.505 0.367 20 0 GCADRP CC1([NH3+])CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000647924253 1194517073 /nfs/dbraw/zinc/51/70/73/1194517073.db2.gz RSOQQLZUJQNQKF-UHFFFAOYSA-N 2 0 398.504 0.472 20 0 GCADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000273072822 1194536834 /nfs/dbraw/zinc/53/68/34/1194536834.db2.gz LDGSZODMEWXZAE-INIZCTEOSA-N 2 0 376.501 0.563 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422382587 1194630518 /nfs/dbraw/zinc/63/05/18/1194630518.db2.gz UQNFLJCAAIHCDS-UHFFFAOYSA-N 2 0 395.592 0.853 20 0 GCADRP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000422468642 1194646346 /nfs/dbraw/zinc/64/63/46/1194646346.db2.gz AQRRKFAQIKNCOS-KRWDZBQOSA-N 2 0 385.468 0.521 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000422497877 1194652494 /nfs/dbraw/zinc/65/24/94/1194652494.db2.gz WLJLGJBNOGBYKQ-MSOLQXFVSA-N 2 0 380.533 0.405 20 0 GCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000422499108 1194652990 /nfs/dbraw/zinc/65/29/90/1194652990.db2.gz YTXNENPQAVYGLD-SFHVURJKSA-N 2 0 394.560 0.938 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000422490167 1194656537 /nfs/dbraw/zinc/65/65/37/1194656537.db2.gz MKAKOHRXVJFVDB-ROUUACIJSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H](C)O1 ZINC000414681448 1194687149 /nfs/dbraw/zinc/68/71/49/1194687149.db2.gz PGRUDPIZTCMDBZ-GASCZTMLSA-N 2 0 378.473 0.578 20 0 GCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000414695811 1194701563 /nfs/dbraw/zinc/70/15/63/1194701563.db2.gz FJTPXQWPYJCOKH-HXUWFJFHSA-N 2 0 396.491 0.880 20 0 GCADRP C[N@H+](CCN1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1)Cc1ccccc1 ZINC000414704575 1194709060 /nfs/dbraw/zinc/70/90/60/1194709060.db2.gz WERDKJHCTNQQHR-NRFANRHFSA-N 3 0 387.572 0.933 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000422975341 1194714606 /nfs/dbraw/zinc/71/46/06/1194714606.db2.gz SOCYCDZOYQBFRP-WDSOQIARSA-N 2 0 388.512 0.810 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000423053623 1194725185 /nfs/dbraw/zinc/72/51/85/1194725185.db2.gz AWPROVDUKMIGIK-UHFFFAOYSA-N 2 0 380.533 0.820 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)CC[NH2+]CC1 ZINC000423055342 1194725287 /nfs/dbraw/zinc/72/52/87/1194725287.db2.gz VYJHNXBITADWAL-AWEZNQCLSA-N 2 0 380.489 0.762 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423101578 1194727421 /nfs/dbraw/zinc/72/74/21/1194727421.db2.gz WAOKPUOLJFSNRF-SJLPKXTDSA-N 2 0 376.476 0.926 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC[NH2+]CC1 ZINC000423105415 1194729804 /nfs/dbraw/zinc/72/98/04/1194729804.db2.gz INMUZPIXPIVVRL-LSDHHAIUSA-N 2 0 387.546 0.854 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423210816 1194737573 /nfs/dbraw/zinc/73/75/73/1194737573.db2.gz XPVFCOXXUAHIPX-IAGOWNOFSA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423201922 1194738821 /nfs/dbraw/zinc/73/88/21/1194738821.db2.gz JPXZRQLXAODYFF-ZBFHGGJFSA-N 2 0 394.466 0.923 20 0 GCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201068 1194738925 /nfs/dbraw/zinc/73/89/25/1194738925.db2.gz HFLSMJDRRVWVIY-KRWDZBQOSA-N 3 0 397.589 0.472 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423201920 1194739085 /nfs/dbraw/zinc/73/90/85/1194739085.db2.gz JPXZRQLXAODYFF-GOEBONIOSA-N 2 0 394.466 0.923 20 0 GCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423204610 1194739437 /nfs/dbraw/zinc/73/94/37/1194739437.db2.gz NZMPUMWRWVWFLO-IBGZPJMESA-N 2 0 390.528 0.933 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000423217268 1194740648 /nfs/dbraw/zinc/74/06/48/1194740648.db2.gz PUESDTAFIIVPFZ-FUHWJXTLSA-N 2 0 380.533 0.391 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423217715 1194740873 /nfs/dbraw/zinc/74/08/73/1194740873.db2.gz ULEQAAADBUUFEL-IAGOWNOFSA-N 2 0 379.549 0.201 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423219999 1194740961 /nfs/dbraw/zinc/74/09/61/1194740961.db2.gz XPTFPVDAOFUNCL-KSZLIROESA-N 2 0 380.533 0.404 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423219998 1194741157 /nfs/dbraw/zinc/74/11/57/1194741157.db2.gz XPTFPVDAOFUNCL-BZSNNMDCSA-N 2 0 380.533 0.404 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423260020 1194744458 /nfs/dbraw/zinc/74/44/58/1194744458.db2.gz GMZVYOBDDGKWNT-DOTOQJQBSA-N 2 0 380.464 0.115 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000423376596 1194752123 /nfs/dbraw/zinc/75/21/23/1194752123.db2.gz JMVSRWLMAQRAAC-BRWVUGGUSA-N 2 0 379.549 0.057 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC[NH+](C)CC1 ZINC000423383345 1194752459 /nfs/dbraw/zinc/75/24/59/1194752459.db2.gz PAGCKKRJRXUJSG-UWJYYQICSA-N 2 0 391.560 0.215 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC[NH+](C)CC1 ZINC000423383344 1194752555 /nfs/dbraw/zinc/75/25/55/1194752555.db2.gz PAGCKKRJRXUJSG-UTKZUKDTSA-N 2 0 391.560 0.215 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCN1C1CC[NH+](C)CC1 ZINC000423387117 1194752794 /nfs/dbraw/zinc/75/27/94/1194752794.db2.gz SLMGGTMKQNVWIO-IAGOWNOFSA-N 2 0 379.549 0.201 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423397506 1194753653 /nfs/dbraw/zinc/75/36/53/1194753653.db2.gz SLZGZQPHPVDVFG-SJORKVTESA-N 2 0 380.533 0.533 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423399018 1194753693 /nfs/dbraw/zinc/75/36/93/1194753693.db2.gz VUMRBPNFWRYZQM-LPHOPBHVSA-N 2 0 392.544 0.689 20 0 GCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423409266 1194755173 /nfs/dbraw/zinc/75/51/73/1194755173.db2.gz BNNMGHKWTJZZPM-SFHVURJKSA-N 2 0 379.549 0.073 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C(C)C ZINC000423414571 1194755373 /nfs/dbraw/zinc/75/53/73/1194755373.db2.gz NEHZUGJCFKELFG-KRWDZBQOSA-N 2 0 382.549 0.778 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423442266 1194755422 /nfs/dbraw/zinc/75/54/22/1194755422.db2.gz JUJBEQPCNWNNAC-IEBWSBKVSA-N 2 0 394.560 0.923 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423442874 1194755453 /nfs/dbraw/zinc/75/54/53/1194755453.db2.gz KEELHLORFMKPKH-HDICACEKSA-N 2 0 380.533 0.261 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423447438 1194755701 /nfs/dbraw/zinc/75/57/01/1194755701.db2.gz PALSZTSAUYBXKM-SFHVURJKSA-N 2 0 380.533 0.548 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423446095 1194755754 /nfs/dbraw/zinc/75/57/54/1194755754.db2.gz NTEOSNYCUMKBNU-OALUTQOASA-N 2 0 392.544 0.405 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423446986 1194756266 /nfs/dbraw/zinc/75/62/66/1194756266.db2.gz OLPHPIGNCKOAAR-FQEVSTJZSA-N 2 0 382.549 0.781 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)C1 ZINC000423452041 1194756477 /nfs/dbraw/zinc/75/64/77/1194756477.db2.gz VULZFNLTRXRIRR-GOSISDBHSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@H](C)[NH2+]1 ZINC000423452013 1194756519 /nfs/dbraw/zinc/75/65/19/1194756519.db2.gz VRKZRLXCAIRJTP-CALCHBBNSA-N 2 0 380.533 0.546 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCO1 ZINC000423431711 1194756884 /nfs/dbraw/zinc/75/68/84/1194756884.db2.gz ATBGNZRIBGPPRW-GOSISDBHSA-N 2 0 380.533 0.677 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000423435274 1194757228 /nfs/dbraw/zinc/75/72/28/1194757228.db2.gz DNCWKUWTQWZQTD-RBUKOAKNSA-N 2 0 394.560 0.936 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423503141 1194760187 /nfs/dbraw/zinc/76/01/87/1194760187.db2.gz MPZZXVZCBDBFCP-SOLBZPMBSA-N 2 0 380.533 0.545 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000423484241 1194760224 /nfs/dbraw/zinc/76/02/24/1194760224.db2.gz UEDKJFJSDOVWJL-QGZVFWFLSA-N 2 0 376.501 0.653 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000423485618 1194760242 /nfs/dbraw/zinc/76/02/42/1194760242.db2.gz VJEJEYHNBPGBFR-ZWKOTPCHSA-N 2 0 388.512 0.653 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423528518 1194761034 /nfs/dbraw/zinc/76/10/34/1194761034.db2.gz NKDDLLNERRLJBB-RBUKOAKNSA-N 2 0 395.592 0.850 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423495092 1194761182 /nfs/dbraw/zinc/76/11/82/1194761182.db2.gz BPNWPBHLZIMUFB-ZIFCJYIRSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517684 1194762172 /nfs/dbraw/zinc/76/21/72/1194762172.db2.gz OFQDXRKDUWVIHA-WMZOPIPTSA-N 2 0 397.589 0.471 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423559403 1194764104 /nfs/dbraw/zinc/76/41/04/1194764104.db2.gz DTXABFXRXBZRAH-LEWJYISDSA-N 2 0 388.512 0.279 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000423575775 1194769257 /nfs/dbraw/zinc/76/92/57/1194769257.db2.gz WTVNPDQAIOAWMO-PLMTUMEDSA-N 2 0 388.512 0.278 20 0 GCADRP Cc1cc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)nc(C(C)C)n1 ZINC000423609053 1194772874 /nfs/dbraw/zinc/77/28/74/1194772874.db2.gz OKNXXKGRCYAYRK-INIZCTEOSA-N 2 0 388.516 0.897 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000423593856 1194774676 /nfs/dbraw/zinc/77/46/76/1194774676.db2.gz NADUFPHCKLRZLM-SFHVURJKSA-N 2 0 379.549 0.214 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)[C@H](C[NH3+])C1 ZINC000423628637 1194775517 /nfs/dbraw/zinc/77/55/17/1194775517.db2.gz AOJAIDOSNJXPAD-JKSUJKDBSA-N 2 0 380.489 0.525 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)[C@@H](C)C[NH2+]1 ZINC000423634940 1194776072 /nfs/dbraw/zinc/77/60/72/1194776072.db2.gz QZTUBISYGCPTNH-KGLIPLIRSA-N 2 0 394.438 0.308 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)[C@H](C)C[NH2+]1 ZINC000423634942 1194776278 /nfs/dbraw/zinc/77/62/78/1194776278.db2.gz QZTUBISYGCPTNH-ZIAGYGMSSA-N 2 0 394.438 0.308 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423641255 1194776910 /nfs/dbraw/zinc/77/69/10/1194776910.db2.gz KPKZGUAQSZIMDT-IBGZPJMESA-N 2 0 387.528 0.212 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423649270 1194779044 /nfs/dbraw/zinc/77/90/44/1194779044.db2.gz HAWWDZWPQGRTDD-RBUKOAKNSA-N 2 0 389.544 0.282 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2)CC1 ZINC000423651231 1194779233 /nfs/dbraw/zinc/77/92/33/1194779233.db2.gz LLEAQEOKGZIURQ-IAGOWNOFSA-N 2 0 379.549 0.199 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423659218 1194780766 /nfs/dbraw/zinc/78/07/66/1194780766.db2.gz ZAHGXUYYCLIJSU-MMOPVJDHSA-N 2 0 388.512 0.278 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423659220 1194780770 /nfs/dbraw/zinc/78/07/70/1194780770.db2.gz ZAHGXUYYCLIJSU-PLMTUMEDSA-N 2 0 388.512 0.278 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)[C@@H](C[NH3+])C1 ZINC000423661316 1194780946 /nfs/dbraw/zinc/78/09/46/1194780946.db2.gz DFEWMDZFMOIMQD-HIEASXQVSA-N 2 0 380.533 0.674 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423666592 1194781880 /nfs/dbraw/zinc/78/18/80/1194781880.db2.gz SFTVQPQWMMJLHM-SFHVURJKSA-N 2 0 380.533 0.548 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423701157 1194783784 /nfs/dbraw/zinc/78/37/84/1194783784.db2.gz WAWAONLOUVARNC-MOPGFXCFSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423688356 1194786344 /nfs/dbraw/zinc/78/63/44/1194786344.db2.gz WJTWAPYFQMUKGX-WMZOPIPTSA-N 2 0 380.533 0.676 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423719057 1194788315 /nfs/dbraw/zinc/78/83/15/1194788315.db2.gz BRVBNVXGOAHYPD-RBUKOAKNSA-N 2 0 395.592 0.709 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423719052 1194788534 /nfs/dbraw/zinc/78/85/34/1194788534.db2.gz BRVBNVXGOAHYPD-MOPGFXCFSA-N 2 0 395.592 0.709 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423724326 1194789235 /nfs/dbraw/zinc/78/92/35/1194789235.db2.gz GXXQOJOWUSIUHA-IRXDYDNUSA-N 2 0 398.548 0.158 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423727445 1194789955 /nfs/dbraw/zinc/78/99/55/1194789955.db2.gz IZKFPBYALGMAFA-AEFFLSMTSA-N 2 0 382.549 0.922 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)CC1 ZINC000423748817 1194791580 /nfs/dbraw/zinc/79/15/80/1194791580.db2.gz ZUKCVGISGHLLRG-PKOBYXMFSA-N 2 0 393.576 0.589 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C[C@H]1[NH3+] ZINC000423737496 1194792664 /nfs/dbraw/zinc/79/26/64/1194792664.db2.gz GHKBZLDPESULTL-YZGWKJHDSA-N 2 0 399.539 0.211 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1=O ZINC000473559024 1194796944 /nfs/dbraw/zinc/79/69/44/1194796944.db2.gz CYXFGDGVIFCJKK-SLFFLAALSA-N 2 0 384.524 0.987 20 0 GCADRP CCN(CC)S(=O)(=O)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021861 1194799231 /nfs/dbraw/zinc/79/92/31/1194799231.db2.gz RRFSEZYXCUXBAA-UHFFFAOYSA-N 2 0 396.557 0.768 20 0 GCADRP [NH3+]C1(CNC(=O)CCN2CCCS2(=O)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000424020806 1194799307 /nfs/dbraw/zinc/79/93/07/1194799307.db2.gz PWPSBECJUXKGME-UHFFFAOYSA-N 2 0 394.541 0.522 20 0 GCADRP CC(C)N(CCCNC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)S(C)(=O)=O ZINC000424292125 1194807338 /nfs/dbraw/zinc/80/73/38/1194807338.db2.gz OCHIUOFQUVDAFY-MRXNPFEDSA-N 2 0 388.578 0.627 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000424446008 1194812376 /nfs/dbraw/zinc/81/23/76/1194812376.db2.gz GPSLSNYKYMQEJU-OAHLLOKOSA-N 2 0 375.473 0.096 20 0 GCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000424455023 1194813320 /nfs/dbraw/zinc/81/33/20/1194813320.db2.gz QYKLTQGLUZFYAL-IAGOWNOFSA-N 2 0 375.521 0.948 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000424461242 1194813389 /nfs/dbraw/zinc/81/33/89/1194813389.db2.gz CULDBGFIRFQCSR-UHFFFAOYSA-N 2 0 375.517 0.877 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000424472040 1194814253 /nfs/dbraw/zinc/81/42/53/1194814253.db2.gz UFQBXFREEXXQCB-UHFFFAOYSA-N 2 0 389.500 0.501 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000424454848 1194815124 /nfs/dbraw/zinc/81/51/24/1194815124.db2.gz MIXVBVBDFNQJFP-QGZVFWFLSA-N 2 0 387.484 0.157 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424453920 1194815138 /nfs/dbraw/zinc/81/51/38/1194815138.db2.gz KWNZEDLMDYUORY-UHFFFAOYSA-N 2 0 389.500 0.405 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424491518 1194816538 /nfs/dbraw/zinc/81/65/38/1194816538.db2.gz DSFNXJSDAHTZEX-QGZVFWFLSA-N 2 0 393.576 0.461 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCO1 ZINC000424494845 1194817208 /nfs/dbraw/zinc/81/72/08/1194817208.db2.gz OLNNWYKTMHPOBG-GBESFXJTSA-N 2 0 386.496 0.296 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424497510 1194818253 /nfs/dbraw/zinc/81/82/53/1194818253.db2.gz XMNDZDODEVEKQJ-ZWKOTPCHSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000424500583 1194818417 /nfs/dbraw/zinc/81/84/17/1194818417.db2.gz CVVSYWAYIIENFG-AYOQOUSVSA-N 2 0 398.511 0.310 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424528072 1194819632 /nfs/dbraw/zinc/81/96/32/1194819632.db2.gz TWNFNHGMOQYPSW-MRXNPFEDSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)CC[NH2+]CC2 ZINC000424536885 1194819969 /nfs/dbraw/zinc/81/99/69/1194819969.db2.gz BCHGMYYZCANKGQ-MRXNPFEDSA-N 2 0 379.549 0.119 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424518240 1194821422 /nfs/dbraw/zinc/82/14/22/1194821422.db2.gz HOKWXSWDBYTMJA-ROUUACIJSA-N 2 0 393.576 0.367 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424519642 1194821440 /nfs/dbraw/zinc/82/14/40/1194821440.db2.gz JWSUDNXWWHOXEI-SFHVURJKSA-N 2 0 393.576 0.511 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@H]2[NH3+])cn1 ZINC000424541163 1194822672 /nfs/dbraw/zinc/82/26/72/1194822672.db2.gz DQGFRCYMLQWTKC-ARFHVFGLSA-N 2 0 378.521 0.156 20 0 GCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000414798130 1194825500 /nfs/dbraw/zinc/82/55/00/1194825500.db2.gz DYYVMZOYVYQXPA-OAHLLOKOSA-N 2 0 387.484 0.411 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000414801684 1194826970 /nfs/dbraw/zinc/82/69/70/1194826970.db2.gz ALCGESPESWCSNJ-UHFFFAOYSA-N 2 0 389.500 0.357 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000514693987 1194895150 /nfs/dbraw/zinc/89/51/50/1194895150.db2.gz UKWTYYLCXXIZMC-IEBWSBKVSA-N 2 0 391.560 0.380 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000664475359 1194895588 /nfs/dbraw/zinc/89/55/88/1194895588.db2.gz PSBFUXJWZRRHLJ-QZTJIDSGSA-N 2 0 397.564 0.416 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000514791539 1194909611 /nfs/dbraw/zinc/90/96/11/1194909611.db2.gz SBUYIBKQLVDQBE-IEBWSBKVSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000514886529 1194925392 /nfs/dbraw/zinc/92/53/92/1194925392.db2.gz DRNJGTDGXNMSLG-ZAWLATJESA-N 2 0 391.560 0.070 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435377349 1194926915 /nfs/dbraw/zinc/92/69/15/1194926915.db2.gz APBNBAVCEVGKHI-GOSISDBHSA-N 2 0 388.512 0.879 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000283679916 1194928888 /nfs/dbraw/zinc/92/88/88/1194928888.db2.gz FVJVLXXIENKXAM-MRXNPFEDSA-N 2 0 391.516 0.629 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)ccn1 ZINC000283874328 1194935401 /nfs/dbraw/zinc/93/54/01/1194935401.db2.gz HQOLQYJJFWBNHX-UHFFFAOYSA-N 2 0 389.500 0.381 20 0 GCADRP COc1cc(C[NH+]2CC[C@@H](CO)[C@@H](O)C2)cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988571 1194937694 /nfs/dbraw/zinc/93/76/94/1194937694.db2.gz BFUITVAIQWISEN-GHSBBIOCSA-N 2 0 394.512 0.045 20 0 GCADRP C[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000515047767 1194943783 /nfs/dbraw/zinc/94/37/83/1194943783.db2.gz SEJZYHDRNLCLCH-LJQANCHMSA-N 2 0 387.528 0.972 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425397770 1194949988 /nfs/dbraw/zinc/94/99/88/1194949988.db2.gz HCTWBYOIMXAAGC-FUHWJXTLSA-N 2 0 380.533 0.498 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc2)C[C@@H](C)O1 ZINC000515356875 1194970479 /nfs/dbraw/zinc/97/04/79/1194970479.db2.gz LKUQTMQRNZMHEB-HZPDHXFCSA-N 2 0 376.501 0.719 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CC1 ZINC000515391414 1194971062 /nfs/dbraw/zinc/97/10/62/1194971062.db2.gz PCIUYSXREPCUDW-QZTJIDSGSA-N 2 0 393.576 0.604 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000515474431 1194977352 /nfs/dbraw/zinc/97/73/52/1194977352.db2.gz SDIHKBPQVHACAW-SFHVURJKSA-N 2 0 382.549 0.938 20 0 GCADRP Cc1ccnc(-n2nccc2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000515493632 1194979688 /nfs/dbraw/zinc/97/96/88/1194979688.db2.gz BPNMSGTYTJFEGT-UHFFFAOYSA-N 2 0 387.488 0.466 20 0 GCADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436060564 1194982948 /nfs/dbraw/zinc/98/29/48/1194982948.db2.gz RDITWXBNTLVAAY-CQSZACIVSA-N 2 0 384.502 0.032 20 0 GCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000436066621 1194983991 /nfs/dbraw/zinc/98/39/91/1194983991.db2.gz ZMJITXTXNFNTOC-QGZVFWFLSA-N 2 0 389.500 0.722 20 0 GCADRP C[C@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000436142549 1194987285 /nfs/dbraw/zinc/98/72/85/1194987285.db2.gz FKAYTOGPCXRDCM-INIZCTEOSA-N 2 0 397.564 0.416 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000505773974 1194990651 /nfs/dbraw/zinc/99/06/51/1194990651.db2.gz ULVIBRRBCCXSCS-MRXNPFEDSA-N 2 0 395.548 0.972 20 0 GCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664540614 1194995699 /nfs/dbraw/zinc/99/56/99/1194995699.db2.gz ZCBQGKUCOKLCKI-IBGZPJMESA-N 2 0 381.565 0.909 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000414883669 1195002834 /nfs/dbraw/zinc/00/28/34/1195002834.db2.gz NVOKUNAFCSOBJM-ZDUSSCGKSA-N 2 0 388.390 0.940 20 0 GCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000425543385 1195004397 /nfs/dbraw/zinc/00/43/97/1195004397.db2.gz PFAQYUQUGDTPIL-UHFFFAOYSA-N 2 0 397.564 0.731 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000516558912 1195066856 /nfs/dbraw/zinc/06/68/56/1195066856.db2.gz FZNHRUXBPANXLQ-LZLYRXPVSA-N 2 0 380.533 0.687 20 0 GCADRP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(CCO)CCO ZINC001270175469 1195073814 /nfs/dbraw/zinc/07/38/14/1195073814.db2.gz GCEFJBXSZUGWRE-MQVJKMGUSA-N 2 0 382.530 0.350 20 0 GCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)C2)C1 ZINC000652734245 1195078216 /nfs/dbraw/zinc/07/82/16/1195078216.db2.gz BSIAFYADOUJSAD-CLWJZODNSA-N 2 0 378.517 0.286 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000516854658 1195103637 /nfs/dbraw/zinc/10/36/37/1195103637.db2.gz ANJQULPPZOXUTC-UHFFFAOYSA-N 2 0 377.489 0.583 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517044220 1195129202 /nfs/dbraw/zinc/12/92/02/1195129202.db2.gz QEZLDWHBDKXZDH-UHFFFAOYSA-N 2 0 380.533 0.549 20 0 GCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000517047186 1195130106 /nfs/dbraw/zinc/13/01/06/1195130106.db2.gz OQBOUZKQNQSLGG-SFHVURJKSA-N 2 0 381.565 0.461 20 0 GCADRP COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414913003 1195149670 /nfs/dbraw/zinc/14/96/70/1195149670.db2.gz ZFUSURSDFLTPFS-ZIAGYGMSSA-N 2 0 376.457 0.741 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000517186885 1195151040 /nfs/dbraw/zinc/15/10/40/1195151040.db2.gz KSBWTIPNROVLJM-QYZOEREBSA-N 2 0 393.576 0.317 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425886502 1195152765 /nfs/dbraw/zinc/15/27/65/1195152765.db2.gz MPJJIVCTZVUTSL-SLFFLAALSA-N 2 0 399.539 0.081 20 0 GCADRP [NH3+]C[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCOC1 ZINC000638439574 1195155225 /nfs/dbraw/zinc/15/52/25/1195155225.db2.gz KBDXKHOLSVCQCH-BEFAXECRSA-N 2 0 376.505 0.281 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC4(C[C@H]3C)CC[NH2+]CC4)C2)CC1 ZINC000517358515 1195173047 /nfs/dbraw/zinc/17/30/47/1195173047.db2.gz GHHUUYTWVUYZEE-MSOLQXFVSA-N 2 0 391.560 0.215 20 0 GCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000517395885 1195178646 /nfs/dbraw/zinc/17/86/46/1195178646.db2.gz UCMNRMUIXFLEOX-VQTJNVASSA-N 2 0 399.539 0.273 20 0 GCADRP COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000517567658 1195193949 /nfs/dbraw/zinc/19/39/49/1195193949.db2.gz YUYQDGLVUBYTIZ-CQSZACIVSA-N 2 0 376.457 0.223 20 0 GCADRP COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000517567657 1195194032 /nfs/dbraw/zinc/19/40/32/1195194032.db2.gz YUYQDGLVUBYTIZ-AWEZNQCLSA-N 2 0 376.457 0.223 20 0 GCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@@H](C(=O)NCC3([NH+](C)C)CCC3)O2)CCC1 ZINC000438540059 1195225256 /nfs/dbraw/zinc/22/52/56/1195225256.db2.gz YZKPKPNSOXHANT-HOTGVXAUSA-N 2 0 380.533 0.735 20 0 GCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000506320193 1195234923 /nfs/dbraw/zinc/23/49/23/1195234923.db2.gz FDXLAGGRHHOCPW-IBGZPJMESA-N 2 0 385.553 0.225 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000518016838 1195238743 /nfs/dbraw/zinc/23/87/43/1195238743.db2.gz UOFYBQCTKYLION-CEXWTWQISA-N 2 0 381.565 0.907 20 0 GCADRP COC(=O)c1ccc(OC)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000518032573 1195240272 /nfs/dbraw/zinc/24/02/72/1195240272.db2.gz ROVAUOKIOBNGLO-UHFFFAOYSA-N 2 0 387.502 0.596 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000518233338 1195269689 /nfs/dbraw/zinc/26/96/89/1195269689.db2.gz QPZDXJYBNFSFGN-UHFFFAOYSA-N 2 0 398.548 0.173 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCC(C)CC1 ZINC000518247548 1195271080 /nfs/dbraw/zinc/27/10/80/1195271080.db2.gz FKUQRWRTKVMBQV-NEWSRXKRSA-N 2 0 394.560 0.717 20 0 GCADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000414975453 1195277464 /nfs/dbraw/zinc/27/74/64/1195277464.db2.gz LRCLHQMGKPLTNT-RHSMWYFYSA-N 2 0 387.484 0.410 20 0 GCADRP C[C@H](CO)[NH+](Cc1cc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)ccc1F)C[C@H](C)O ZINC000295969329 1195294457 /nfs/dbraw/zinc/29/44/57/1195294457.db2.gz KDAAHJWHXWNVKP-NCOADZHNSA-N 2 0 386.508 0.953 20 0 GCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000439227551 1195299181 /nfs/dbraw/zinc/29/91/81/1195299181.db2.gz UJNDLXUEIHJCEY-IBGZPJMESA-N 2 0 382.549 0.839 20 0 GCADRP [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000518531918 1195300113 /nfs/dbraw/zinc/30/01/13/1195300113.db2.gz HORFTAMCCWRYSA-RCCFBDPRSA-N 2 0 389.475 0.615 20 0 GCADRP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccccc2F)CC1 ZINC000518542133 1195301351 /nfs/dbraw/zinc/30/13/51/1195301351.db2.gz KSJJIPYYKARVKT-QGZVFWFLSA-N 2 0 375.492 0.454 20 0 GCADRP C[NH+]1CCC[C@H]1CNC(=O)C1(CC(=O)NC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434373 1195334757 /nfs/dbraw/zinc/33/47/57/1195334757.db2.gz YEYOOPHIGMTGQN-SJORKVTESA-N 2 0 380.533 0.594 20 0 GCADRP O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000518947278 1195351085 /nfs/dbraw/zinc/35/10/85/1195351085.db2.gz WUJMDHOZSNFKGQ-OAHLLOKOSA-N 2 0 381.498 0.764 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000729436280 1195397279 /nfs/dbraw/zinc/39/72/79/1195397279.db2.gz PNRRANOKVKPFGJ-UHFFFAOYSA-N 2 0 386.518 0.630 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)[NH+](C)C)c1 ZINC000550029560 1195408285 /nfs/dbraw/zinc/40/82/85/1195408285.db2.gz RFWMZZRDYVQELJ-MAUKXSAKSA-N 2 0 376.501 0.967 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550030328 1195415193 /nfs/dbraw/zinc/41/51/93/1195415193.db2.gz GDVKRIVZHMHJOS-LJQANCHMSA-N 2 0 399.539 0.273 20 0 GCADRP Cc1cn(CC(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(=O)[nH]c1=O ZINC001167970855 1195432326 /nfs/dbraw/zinc/43/23/26/1195432326.db2.gz OSANUYZRHWXJND-ALOPSCKCSA-N 2 0 389.500 0.369 20 0 GCADRP CC[NH+]1CCCC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000110997908 1195434299 /nfs/dbraw/zinc/43/42/99/1195434299.db2.gz FFVBEBCKTHNQFN-HDICACEKSA-N 2 0 382.549 0.984 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550096826 1195435432 /nfs/dbraw/zinc/43/54/32/1195435432.db2.gz LPKKOCQETDGRMH-KZNAEPCWSA-N 2 0 398.548 0.075 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550096827 1195435638 /nfs/dbraw/zinc/43/56/38/1195435638.db2.gz LPKKOCQETDGRMH-OKZBNKHCSA-N 2 0 398.548 0.075 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000550099459 1195437105 /nfs/dbraw/zinc/43/71/05/1195437105.db2.gz USYGONWMSDZLDC-SFHVURJKSA-N 2 0 382.549 0.698 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000550133230 1195445507 /nfs/dbraw/zinc/44/55/07/1195445507.db2.gz NUQMWPOWJLLJQE-RTBURBONSA-N 2 0 394.560 0.861 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000550135899 1195446518 /nfs/dbraw/zinc/44/65/18/1195446518.db2.gz UUXHANVGNTVJRZ-KRWDZBQOSA-N 2 0 395.548 0.036 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000473724583 1195450885 /nfs/dbraw/zinc/45/08/85/1195450885.db2.gz PVNKUDJYYCEIGB-OAHLLOKOSA-N 2 0 390.532 0.995 20 0 GCADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+](C2CC2)C1 ZINC000655557012 1195464376 /nfs/dbraw/zinc/46/43/76/1195464376.db2.gz ATLWMNBHXWWJNO-ZWKOTPCHSA-N 2 0 379.549 0.519 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)N1CCOCC1 ZINC000550275736 1195475307 /nfs/dbraw/zinc/47/53/07/1195475307.db2.gz DGIVUPUYSVDCOI-DLBZAZTESA-N 2 0 382.549 0.696 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507194111 1195502633 /nfs/dbraw/zinc/50/26/33/1195502633.db2.gz IVMKCTZZDBORMH-INIZCTEOSA-N 2 0 386.456 0.775 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519609583 1195527487 /nfs/dbraw/zinc/52/74/87/1195527487.db2.gz IOUXNRWEZSTRSO-AEFFLSMTSA-N 2 0 389.500 0.123 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)n2)CC1 ZINC000427375761 1195530391 /nfs/dbraw/zinc/53/03/91/1195530391.db2.gz NWPSGNAGBQFQGU-UHFFFAOYSA-N 2 0 390.532 1.327 20 0 GCADRP COC(CNC(=O)[C@@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427467851 1195542943 /nfs/dbraw/zinc/54/29/43/1195542943.db2.gz XAZIKTWYMNDFBS-ROUUACIJSA-N 2 0 378.517 0.487 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000519614257 1195543215 /nfs/dbraw/zinc/54/32/15/1195543215.db2.gz YBTMPRNLPOKBOI-GNBUJSLZSA-N 2 0 392.544 0.674 20 0 GCADRP CC(C)C[C@@H](CNC(=O)N1CCN(CCC(=O)N(C)C)CC1)N1CCOCC1 ZINC000473870096 1195553377 /nfs/dbraw/zinc/55/33/77/1195553377.db2.gz AYBNPHJILFDRPT-SFHVURJKSA-N 2 0 397.564 0.539 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000519634869 1195560969 /nfs/dbraw/zinc/56/09/69/1195560969.db2.gz CEJRCFYEDSAQSS-KURKYZTESA-N 2 0 390.528 0.347 20 0 GCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000519704550 1195563953 /nfs/dbraw/zinc/56/39/53/1195563953.db2.gz DXMRXOHGCRNAKT-DLBZAZTESA-N 2 0 380.533 0.452 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)[NH+](C)C)c1 ZINC000519706649 1195566481 /nfs/dbraw/zinc/56/64/81/1195566481.db2.gz RDIGBWGMWMDWCL-GOSISDBHSA-N 2 0 376.501 0.968 20 0 GCADRP Cn1cc([C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CCN2C(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000544318710 1195601311 /nfs/dbraw/zinc/60/13/11/1195601311.db2.gz HZJHCMMZHXWKEM-KZNAEPCWSA-N 2 0 388.516 0.320 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CCN2C(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC000544318709 1195601360 /nfs/dbraw/zinc/60/13/60/1195601360.db2.gz HZJHCMMZHXWKEM-KURKYZTESA-N 2 0 388.516 0.320 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCCCC1 ZINC000520268455 1195614835 /nfs/dbraw/zinc/61/48/35/1195614835.db2.gz NISXIGNRYZATAV-SFHVURJKSA-N 2 0 394.560 0.986 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417025689 1195618725 /nfs/dbraw/zinc/61/87/25/1195618725.db2.gz RSPTVZKOLAALJU-FQEVSTJZSA-N 2 0 389.544 0.872 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000550352798 1195640522 /nfs/dbraw/zinc/64/05/22/1195640522.db2.gz OOCDFLKABSNUKU-UHFFFAOYSA-N 2 0 383.581 0.706 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000550352617 1195640852 /nfs/dbraw/zinc/64/08/52/1195640852.db2.gz IAUIVRWNBZYTDS-OALUTQOASA-N 2 0 390.528 0.975 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000550380857 1195648555 /nfs/dbraw/zinc/64/85/55/1195648555.db2.gz BJZVTUJMMLBMOD-ZWKOTPCHSA-N 2 0 397.608 0.857 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000417367548 1195666330 /nfs/dbraw/zinc/66/63/30/1195666330.db2.gz PVZVDLZJPXXNIN-GOSISDBHSA-N 2 0 375.517 0.816 20 0 GCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000331047534 1195718091 /nfs/dbraw/zinc/71/80/91/1195718091.db2.gz IYXSOHTUDNQWCN-GOSISDBHSA-N 2 0 394.541 0.675 20 0 GCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000331047535 1195718322 /nfs/dbraw/zinc/71/83/22/1195718322.db2.gz IYXSOHTUDNQWCN-SFHVURJKSA-N 2 0 394.541 0.675 20 0 GCADRP COC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000188944124 1195741502 /nfs/dbraw/zinc/74/15/02/1195741502.db2.gz OXQKKAWKRJSLPI-GOSISDBHSA-N 2 0 382.549 0.698 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000536356032 1195744912 /nfs/dbraw/zinc/74/49/12/1195744912.db2.gz QTVDYFHVINKMPS-GUDVDZBRSA-N 2 0 375.517 0.167 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000520551493 1195784717 /nfs/dbraw/zinc/78/47/17/1195784717.db2.gz DHGKSMCZAFMCAD-SJORKVTESA-N 2 0 383.537 0.230 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000520628068 1195806082 /nfs/dbraw/zinc/80/60/82/1195806082.db2.gz JHWHLVIVBOMPPQ-IBGZPJMESA-N 2 0 393.576 0.604 20 0 GCADRP CC1(C)C[N@@H+](C2(CNC(=O)C(=O)NCCn3ccnc3)CCCCC2)CCO1 ZINC000550428814 1195817202 /nfs/dbraw/zinc/81/72/02/1195817202.db2.gz KBWNFSSJKLXUHL-UHFFFAOYSA-N 2 0 391.516 0.929 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000441779359 1195845559 /nfs/dbraw/zinc/84/55/59/1195845559.db2.gz UHMGJHBGLYNLPU-OAHLLOKOSA-N 2 0 391.516 0.842 20 0 GCADRP C[C@@H]1CCC[NH+](CCNC(=O)COCC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000129611276 1195851617 /nfs/dbraw/zinc/85/16/17/1195851617.db2.gz OOUSVMLGHDXHGO-HDICACEKSA-N 2 0 382.549 0.699 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771809 1195852308 /nfs/dbraw/zinc/85/23/08/1195852308.db2.gz BSONHHSLKYSYML-MOPGFXCFSA-N 2 0 385.512 0.821 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000441845470 1195925237 /nfs/dbraw/zinc/92/52/37/1195925237.db2.gz RPVWCXZGGPRJJU-UHFFFAOYSA-N 2 0 394.541 0.868 20 0 GCADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474027807 1195933337 /nfs/dbraw/zinc/93/33/37/1195933337.db2.gz AESCSUPTULZNRQ-QGZVFWFLSA-N 2 0 396.580 0.289 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000441983620 1195938571 /nfs/dbraw/zinc/93/85/71/1195938571.db2.gz ZJGSOVASYRAUDX-INIZCTEOSA-N 2 0 387.484 0.868 20 0 GCADRP CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000520989980 1195947840 /nfs/dbraw/zinc/94/78/40/1195947840.db2.gz LQMHDJGEBCDRKQ-FUHWJXTLSA-N 2 0 392.544 0.377 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000550455602 1195964572 /nfs/dbraw/zinc/96/45/72/1195964572.db2.gz ASXGPYGAANSZHI-KSZLIROESA-N 2 0 380.533 0.402 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550455719 1195966078 /nfs/dbraw/zinc/96/60/78/1195966078.db2.gz CFQKZGANIGAMBG-ROUUACIJSA-N 2 0 382.549 0.554 20 0 GCADRP CC(C)([NH3+])c1noc(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)n1 ZINC000521432173 1195996205 /nfs/dbraw/zinc/99/62/05/1195996205.db2.gz QNOMBRHQIVYTQL-LJQANCHMSA-N 2 0 384.440 0.960 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1csc(-c2ccco2)n1 ZINC000521501387 1195998899 /nfs/dbraw/zinc/99/88/99/1195998899.db2.gz JEKFXFKAXPQATE-UHFFFAOYSA-N 2 0 393.513 0.971 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442761046 1196001352 /nfs/dbraw/zinc/00/13/52/1196001352.db2.gz OTOSBVNFKUUPRK-JKSUJKDBSA-N 2 0 383.514 0.755 20 0 GCADRP COCC[N@H+](C)C[C@@H](O)CN1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000521642179 1196008066 /nfs/dbraw/zinc/00/80/66/1196008066.db2.gz XIXKRFBCDONWPG-FCHUYYIVSA-N 2 0 390.572 0.818 20 0 GCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061372 1196017738 /nfs/dbraw/zinc/01/77/38/1196017738.db2.gz RJTHDRDIEDXEID-ZBFHGGJFSA-N 2 0 382.530 0.442 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000522014942 1196034206 /nfs/dbraw/zinc/03/42/06/1196034206.db2.gz RSPHNEXLOGGOED-OWYHZJEWSA-N 2 0 385.512 0.850 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000522028204 1196037527 /nfs/dbraw/zinc/03/75/27/1196037527.db2.gz BWPDSPAGAUKUJZ-MSOLQXFVSA-N 2 0 382.549 0.719 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000522035980 1196038233 /nfs/dbraw/zinc/03/82/33/1196038233.db2.gz ILATXBHUWYTKIQ-MRXNPFEDSA-N 2 0 392.544 0.689 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000550490038 1196056029 /nfs/dbraw/zinc/05/60/29/1196056029.db2.gz UWIUURGWBFUHNO-UHFFFAOYSA-N 2 0 395.592 0.709 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000522287189 1196072616 /nfs/dbraw/zinc/07/26/16/1196072616.db2.gz JKJBVYSIJOEXGA-UHFFFAOYSA-N 2 0 397.564 0.681 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000550518600 1196072835 /nfs/dbraw/zinc/07/28/35/1196072835.db2.gz HIMLTRPXMUQAOG-UHFFFAOYSA-N 2 0 379.549 0.215 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1nnc2n1CCC2 ZINC000522328394 1196078715 /nfs/dbraw/zinc/07/87/15/1196078715.db2.gz BTOIUJBNKXMUHT-UHFFFAOYSA-N 2 0 384.488 0.631 20 0 GCADRP C[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)(N2CCOCC2)CC1 ZINC000895333952 1196083217 /nfs/dbraw/zinc/08/32/17/1196083217.db2.gz MJPBEJOLPWSGFM-QZTJIDSGSA-N 2 0 379.549 0.661 20 0 GCADRP CC(C)N(CCOCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487437594 1196085563 /nfs/dbraw/zinc/08/55/63/1196085563.db2.gz YFXYTWWDBHGEHS-AKHDSKFASA-N 2 0 396.576 0.752 20 0 GCADRP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000550562624 1196086422 /nfs/dbraw/zinc/08/64/22/1196086422.db2.gz AAAVSQFMJZVDAU-QGZVFWFLSA-N 2 0 392.544 0.690 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550574896 1196090982 /nfs/dbraw/zinc/09/09/82/1196090982.db2.gz JMHHBWYXRLGDMA-YESZJQIVSA-N 2 0 382.549 0.839 20 0 GCADRP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@H+](C)[C@H]2C)n1 ZINC000895739758 1196110474 /nfs/dbraw/zinc/11/04/74/1196110474.db2.gz JAKURJGWCNLSQU-NMWPEEMBSA-N 2 0 378.525 0.939 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000474410325 1196115557 /nfs/dbraw/zinc/11/55/57/1196115557.db2.gz MTDHRKBPLTVDON-MRXNPFEDSA-N 2 0 390.488 0.262 20 0 GCADRP C[N@@H+]1C[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[C@H](c2ccccc2)C1 ZINC000895968392 1196120283 /nfs/dbraw/zinc/12/02/83/1196120283.db2.gz MNEMQZQNZNDSKD-QYZOEREBSA-N 2 0 387.528 0.971 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532874 1196153910 /nfs/dbraw/zinc/15/39/10/1196153910.db2.gz NBGGMGMRUHQUHP-MTFMMBMASA-N 2 0 390.576 0.985 20 0 GCADRP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000329187391 1196174024 /nfs/dbraw/zinc/17/40/24/1196174024.db2.gz GUKAHCHOYJMMFR-IEWDOMPSSA-N 2 0 392.544 0.518 20 0 GCADRP C[NH+]1CC[C@]2(CCN(C(=O)COCC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000329234801 1196178993 /nfs/dbraw/zinc/17/89/93/1196178993.db2.gz MYNWQLVSRHZWFH-PMACEKPBSA-N 2 0 378.517 0.111 20 0 GCADRP C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000665461503 1196187561 /nfs/dbraw/zinc/18/75/61/1196187561.db2.gz PAIMYLHQBNVFFA-SJORKVTESA-N 2 0 382.549 0.974 20 0 GCADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000639451670 1196303966 /nfs/dbraw/zinc/30/39/66/1196303966.db2.gz HUDPOZAYFDUXIZ-UHFFFAOYSA-N 2 0 388.578 0.580 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC1(C)C ZINC000281962725 1196353119 /nfs/dbraw/zinc/35/31/19/1196353119.db2.gz LMFYYMKSPUZKFU-UHFFFAOYSA-N 2 0 384.484 0.953 20 0 GCADRP O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000444170964 1196355318 /nfs/dbraw/zinc/35/53/18/1196355318.db2.gz UNUNUNVHONOEBD-QZTJIDSGSA-N 2 0 384.484 0.833 20 0 GCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1(C)C ZINC000444175076 1196356799 /nfs/dbraw/zinc/35/67/99/1196356799.db2.gz YXRRFDKATVDATP-UWJYYQICSA-N 2 0 394.560 0.922 20 0 GCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115833 1196367026 /nfs/dbraw/zinc/36/70/26/1196367026.db2.gz PRJCRGRNFSEODT-WCIQWLHISA-N 2 0 384.524 0.858 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000522974438 1196372174 /nfs/dbraw/zinc/37/21/74/1196372174.db2.gz NBBOGVWPKGYSKY-KRWDZBQOSA-N 2 0 395.548 0.518 20 0 GCADRP COc1ccc(N2C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cc1 ZINC000103210870 1196374958 /nfs/dbraw/zinc/37/49/58/1196374958.db2.gz HENIONVBFPJDPG-INIZCTEOSA-N 2 0 376.501 1.000 20 0 GCADRP COc1ccccc1N1C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000103211775 1196374967 /nfs/dbraw/zinc/37/49/67/1196374967.db2.gz LMFWJZDCAVBDSF-INIZCTEOSA-N 2 0 376.501 1.000 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000103601909 1196376625 /nfs/dbraw/zinc/37/66/25/1196376625.db2.gz KCYQVDNFBSPISZ-UHFFFAOYSA-N 2 0 396.580 0.208 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000475125216 1196382033 /nfs/dbraw/zinc/38/20/33/1196382033.db2.gz PBFHYIVJLBCEPP-MRXNPFEDSA-N 2 0 381.521 0.080 20 0 GCADRP CCN(CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000665594323 1196385015 /nfs/dbraw/zinc/38/50/15/1196385015.db2.gz YEYYSYBQABDWRD-MSOLQXFVSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+]1CCC(CNC(=S)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000840852544 1196410082 /nfs/dbraw/zinc/41/00/82/1196410082.db2.gz JUUQWPDZENNLFV-UHFFFAOYSA-N 2 0 383.606 0.589 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000302878260 1196448755 /nfs/dbraw/zinc/44/87/55/1196448755.db2.gz GJFPLWPHMAVKGI-KRWDZBQOSA-N 2 0 388.516 0.572 20 0 GCADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611674 1196464585 /nfs/dbraw/zinc/46/45/85/1196464585.db2.gz BIHJQSSPFSXZCH-FUHWJXTLSA-N 2 0 394.541 0.472 20 0 GCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582240517 1196474162 /nfs/dbraw/zinc/47/41/62/1196474162.db2.gz VKNVXUNZAZCWCE-FUHWJXTLSA-N 2 0 380.533 0.450 20 0 GCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000523120517 1196489565 /nfs/dbraw/zinc/48/95/65/1196489565.db2.gz RFEOADBOCPLAOK-MRXNPFEDSA-N 2 0 375.473 0.143 20 0 GCADRP CCOC1CC(CNC(=O)NCC2CC[NH+](CCO)CC2)(N2CCOCC2)C1 ZINC000445094081 1196547226 /nfs/dbraw/zinc/54/72/26/1196547226.db2.gz PPWLJMKKFXFLBS-UHFFFAOYSA-N 2 0 398.548 0.260 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000524419718 1196594302 /nfs/dbraw/zinc/59/43/02/1196594302.db2.gz YSFHNYOBZDMLGH-OALUTQOASA-N 2 0 387.528 0.997 20 0 GCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446038315 1196608864 /nfs/dbraw/zinc/60/88/64/1196608864.db2.gz FLXXCWABRZOUGV-INIZCTEOSA-N 2 0 375.517 0.481 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446265262 1196631118 /nfs/dbraw/zinc/63/11/18/1196631118.db2.gz DCRMQZGBOAWJIP-AUSJPIAWSA-N 2 0 399.499 0.544 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446363535 1196637846 /nfs/dbraw/zinc/63/78/46/1196637846.db2.gz MXQFHPODONYAKQ-WRWLIDTKSA-N 2 0 380.533 0.532 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446363536 1196637890 /nfs/dbraw/zinc/63/78/90/1196637890.db2.gz MXQFHPODONYAKQ-XAUMDUMWSA-N 2 0 380.533 0.532 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000446365047 1196637893 /nfs/dbraw/zinc/63/78/93/1196637893.db2.gz YQNBNRNPYNQKLK-ZFCANOHDSA-N 2 0 380.533 0.578 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000418110593 1196653468 /nfs/dbraw/zinc/65/34/68/1196653468.db2.gz FKCJOKHHPLVUKW-CABCVRRESA-N 2 0 395.470 0.623 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000446758740 1196668828 /nfs/dbraw/zinc/66/88/28/1196668828.db2.gz CFCFNCUROOOVQN-UHFFFAOYSA-N 2 0 388.578 0.582 20 0 GCADRP Cc1c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1-c1ccccn1 ZINC000525688340 1196702517 /nfs/dbraw/zinc/70/25/17/1196702517.db2.gz HWUGUVUDEUERCZ-UHFFFAOYSA-N 2 0 380.518 0.690 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000525838336 1196715949 /nfs/dbraw/zinc/71/59/49/1196715949.db2.gz XNRFBTPSWJUBBM-HNNXBMFYSA-N 2 0 389.500 0.973 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000525838337 1196716334 /nfs/dbraw/zinc/71/63/34/1196716334.db2.gz XNRFBTPSWJUBBM-OAHLLOKOSA-N 2 0 389.500 0.973 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000525882725 1196720500 /nfs/dbraw/zinc/72/05/00/1196720500.db2.gz TUMGCCACFCWCGL-UHFFFAOYSA-N 2 0 398.529 0.122 20 0 GCADRP CC(=O)N1CCc2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000525882722 1196720655 /nfs/dbraw/zinc/72/06/55/1196720655.db2.gz RSFJRXWGVSRITI-UHFFFAOYSA-N 2 0 389.500 0.486 20 0 GCADRP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000447436103 1196722370 /nfs/dbraw/zinc/72/23/70/1196722370.db2.gz UDNNFAJKDGQXSK-JKSUJKDBSA-N 2 0 393.557 0.800 20 0 GCADRP COc1cc(F)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000526131667 1196743984 /nfs/dbraw/zinc/74/39/84/1196743984.db2.gz YIPPCESZYVZLNF-UHFFFAOYSA-N 2 0 384.452 0.733 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000527123930 1196767541 /nfs/dbraw/zinc/76/75/41/1196767541.db2.gz KPUAIBWNLYRJRL-UHFFFAOYSA-N 2 0 383.880 0.329 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418114465 1196776437 /nfs/dbraw/zinc/77/64/37/1196776437.db2.gz LXHOCZSSCRQUTO-SCTDSRPQSA-N 2 0 377.533 0.949 20 0 GCADRP CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000527329901 1196779945 /nfs/dbraw/zinc/77/99/45/1196779945.db2.gz SBVFGOJBGKAVKS-AWEZNQCLSA-N 2 0 375.473 0.583 20 0 GCADRP Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527374259 1196784433 /nfs/dbraw/zinc/78/44/33/1196784433.db2.gz YEOPPXLXXZDZBG-UHFFFAOYSA-N 2 0 398.529 0.289 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448486555 1196806554 /nfs/dbraw/zinc/80/65/54/1196806554.db2.gz WOXALEBGATVDIV-IRXDYDNUSA-N 2 0 392.548 1.258 20 0 GCADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000528451993 1196860303 /nfs/dbraw/zinc/86/03/03/1196860303.db2.gz QAJVSWHUSMYKKD-AXVVYFOYSA-N 2 0 394.560 0.743 20 0 GCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000528607380 1196872059 /nfs/dbraw/zinc/87/20/59/1196872059.db2.gz OPHSKHIXXSJSJR-PMACEKPBSA-N 2 0 375.513 0.562 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000371341303 1196906003 /nfs/dbraw/zinc/90/60/03/1196906003.db2.gz NBKUKXZZHQJHEC-GOSISDBHSA-N 2 0 393.576 0.556 20 0 GCADRP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000529304278 1196915412 /nfs/dbraw/zinc/91/54/12/1196915412.db2.gz PIRZVJCPVVGBPR-HOCLYGCPSA-N 2 0 379.480 0.926 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529376817 1196918246 /nfs/dbraw/zinc/91/82/46/1196918246.db2.gz SUJMTLDNIDAOMD-QGZVFWFLSA-N 2 0 391.516 0.447 20 0 GCADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000529374442 1196920086 /nfs/dbraw/zinc/92/00/86/1196920086.db2.gz GEGSDRQBVSKXKE-BHIYHBOVSA-N 2 0 381.565 0.953 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000530576819 1196996171 /nfs/dbraw/zinc/99/61/71/1196996171.db2.gz PUKOHESHLZZMNY-IFMALSPDSA-N 2 0 386.540 0.862 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000530880740 1197022649 /nfs/dbraw/zinc/02/26/49/1197022649.db2.gz RHFIOJNVMPYMGR-SFHVURJKSA-N 2 0 375.517 0.886 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)CC1=O ZINC000452385575 1197055425 /nfs/dbraw/zinc/05/54/25/1197055425.db2.gz UYAXURXXMJEQHC-RCCFBDPRSA-N 2 0 380.533 0.282 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)CC1=O ZINC000452385573 1197055763 /nfs/dbraw/zinc/05/57/63/1197055763.db2.gz UYAXURXXMJEQHC-OKZBNKHCSA-N 2 0 380.533 0.282 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000532036630 1197108088 /nfs/dbraw/zinc/10/80/88/1197108088.db2.gz WUDWEQMMOSFOSM-SFHVURJKSA-N 2 0 399.576 0.959 20 0 GCADRP Cc1cncn1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000986404334 1197169065 /nfs/dbraw/zinc/16/90/65/1197169065.db2.gz YFKGDMFAEORSOF-ZJPYXAASSA-N 2 0 389.500 0.218 20 0 GCADRP NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178956273 1197195941 /nfs/dbraw/zinc/19/59/41/1197195941.db2.gz VDWLFIFTVGXFAN-UHFFFAOYSA-N 2 0 380.514 0.984 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1=O ZINC000184075873 1197210537 /nfs/dbraw/zinc/21/05/37/1197210537.db2.gz MPAFHPKTAPXSLA-IPMKNSEASA-N 2 0 393.576 0.461 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1)Cc1ccccc1 ZINC000188759702 1197233701 /nfs/dbraw/zinc/23/37/01/1197233701.db2.gz KKYHZEUXWZJZQN-UHFFFAOYSA-N 2 0 382.512 0.945 20 0 GCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)cc2)CC1 ZINC000188926848 1197234428 /nfs/dbraw/zinc/23/44/28/1197234428.db2.gz NWZFNEBBPJELEY-UHFFFAOYSA-N 2 0 384.484 0.934 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)CC1 ZINC000192148747 1197245376 /nfs/dbraw/zinc/24/53/76/1197245376.db2.gz CWABZFFCJXDPHK-UHFFFAOYSA-N 2 0 394.608 0.681 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCN2CC[NH+](CC)CC2)CC1=O ZINC000105319294 1197326460 /nfs/dbraw/zinc/32/64/60/1197326460.db2.gz ICXAGVSEVRSMDT-MOPGFXCFSA-N 2 0 393.576 0.463 20 0 GCADRP C[C@H]1CN(C(=O)NCc2cnc(N(C)C)n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536544463 1197356543 /nfs/dbraw/zinc/35/65/43/1197356543.db2.gz IQWFVEUKAFHFNT-RDJZCZTQSA-N 2 0 377.537 0.654 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418831009 1197358017 /nfs/dbraw/zinc/35/80/17/1197358017.db2.gz YEJSLGWLHWSQKN-KURKYZTESA-N 2 0 376.501 0.679 20 0 GCADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001719920733 1197368399 /nfs/dbraw/zinc/36/83/99/1197368399.db2.gz ZSCCPKKSBQODHF-ZACQAIPSSA-N 2 0 380.533 0.687 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000137139435 1197391978 /nfs/dbraw/zinc/39/19/78/1197391978.db2.gz BNIBGCBKOTYFFJ-MSOLQXFVSA-N 2 0 387.532 0.724 20 0 GCADRP C(C[NH+]1CCC[C@H]1CN1CCOCC1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000245455360 1197404002 /nfs/dbraw/zinc/40/40/02/1197404002.db2.gz SNNNOZHJPTWLLU-SFTDATJTSA-N 2 0 380.577 0.970 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000418952731 1197405624 /nfs/dbraw/zinc/40/56/24/1197405624.db2.gz KJWUTWNWKWHIOL-FGTMMUONSA-N 2 0 380.533 0.471 20 0 GCADRP COC[C@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897499535 1197413729 /nfs/dbraw/zinc/41/37/29/1197413729.db2.gz IULKDRSJKDDPHJ-XHSDSOJGSA-N 2 0 382.549 0.979 20 0 GCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000454434693 1197413815 /nfs/dbraw/zinc/41/38/15/1197413815.db2.gz CXARJWVVEZUJKC-MSOLQXFVSA-N 2 0 387.532 0.724 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419349998 1197417745 /nfs/dbraw/zinc/41/77/45/1197417745.db2.gz YYJQEDRZZOKMIU-IBGZPJMESA-N 2 0 387.528 0.294 20 0 GCADRP CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000532950661 1197422811 /nfs/dbraw/zinc/42/28/11/1197422811.db2.gz YUZRDMWGCPXEBA-ZDUSSCGKSA-N 2 0 379.505 0.290 20 0 GCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000246012476 1197442792 /nfs/dbraw/zinc/44/27/92/1197442792.db2.gz TZYJVWIFCAJJDG-RDJZCZTQSA-N 2 0 386.562 0.621 20 0 GCADRP COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533484700 1197454797 /nfs/dbraw/zinc/45/47/97/1197454797.db2.gz QZOFBFSWSXXBKQ-INIZCTEOSA-N 2 0 382.549 0.792 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000246449108 1197470312 /nfs/dbraw/zinc/47/03/12/1197470312.db2.gz LRHCSBRNNZHAFA-CEXWTWQISA-N 2 0 392.544 0.500 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000073131149 1197470412 /nfs/dbraw/zinc/47/04/12/1197470412.db2.gz OUEKLOBFJJEQBG-SJORKVTESA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)COCC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000105593902 1197470992 /nfs/dbraw/zinc/47/09/92/1197470992.db2.gz AWAWAEHJHAEIOK-UHFFFAOYSA-N 2 0 382.549 0.981 20 0 GCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)COCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000105600317 1197470993 /nfs/dbraw/zinc/47/09/93/1197470993.db2.gz TWZWWYGUPZVZSB-ROUUACIJSA-N 2 0 382.549 0.888 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC000246473153 1197471598 /nfs/dbraw/zinc/47/15/98/1197471598.db2.gz QVNYAOYRDDTKNK-INDMIFKZSA-N 2 0 394.560 0.935 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000246998680 1197474590 /nfs/dbraw/zinc/47/45/90/1197474590.db2.gz OUEKLOBFJJEQBG-DLBZAZTESA-N 2 0 380.533 0.546 20 0 GCADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001212023232 1197475552 /nfs/dbraw/zinc/47/55/52/1197475552.db2.gz VTLJOCCHHNSVNS-JGKZEZGSSA-N 2 0 399.455 0.578 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000897529557 1197492602 /nfs/dbraw/zinc/49/26/02/1197492602.db2.gz OVMMIRRTLWHVIG-INIZCTEOSA-N 2 0 389.500 0.346 20 0 GCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000666796300 1197505333 /nfs/dbraw/zinc/50/53/33/1197505333.db2.gz MZCPGBXUKTZNNA-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)C1 ZINC000666796291 1197505418 /nfs/dbraw/zinc/50/54/18/1197505418.db2.gz LFWXWBPYUMUACZ-QGZVFWFLSA-N 2 0 389.500 0.201 20 0 GCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000666796301 1197505574 /nfs/dbraw/zinc/50/55/74/1197505574.db2.gz MZCPGBXUKTZNNA-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(COC)CC[NH2+]CC2)CC1=O ZINC000261724283 1197512643 /nfs/dbraw/zinc/51/26/43/1197512643.db2.gz LYZWRHQUNZUXCK-IRXDYDNUSA-N 2 0 380.533 0.452 20 0 GCADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261758284 1197513732 /nfs/dbraw/zinc/51/37/32/1197513732.db2.gz FPUCLEMEQGWPKY-RBSFLKMASA-N 2 0 381.521 0.579 20 0 GCADRP C[C@]1(C[NH3+])CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000261828655 1197515881 /nfs/dbraw/zinc/51/58/81/1197515881.db2.gz YLZHIUPPKLNJHM-GOSISDBHSA-N 2 0 398.504 0.329 20 0 GCADRP COc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000261977080 1197521644 /nfs/dbraw/zinc/52/16/44/1197521644.db2.gz BTNLYOSZNPHLLY-QGZVFWFLSA-N 2 0 395.525 0.506 20 0 GCADRP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262129411 1197525764 /nfs/dbraw/zinc/52/57/64/1197525764.db2.gz NQSDAWIERYNUJR-QGZVFWFLSA-N 2 0 376.501 0.690 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000672007781 1199002488 /nfs/dbraw/zinc/00/24/88/1199002488.db2.gz DUELAZIDDDQJHV-IPELMVKDSA-N 2 0 394.560 0.717 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000672011832 1199002580 /nfs/dbraw/zinc/00/25/80/1199002580.db2.gz XOZLLUDMNADFMY-SJORKVTESA-N 2 0 380.533 0.404 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672014523 1199004433 /nfs/dbraw/zinc/00/44/33/1199004433.db2.gz VHIWXKFYSRWXSC-AEFFLSMTSA-N 2 0 382.549 0.792 20 0 GCADRP 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CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1CCOC ZINC000672304133 1199198378 /nfs/dbraw/zinc/19/83/78/1199198378.db2.gz IRNIIYXTCSGAJJ-ROUUACIJSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000672306661 1199200637 /nfs/dbraw/zinc/20/06/37/1199200637.db2.gz SHECPUYYLLRTNU-QRQLOZEOSA-N 2 0 391.560 0.071 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)Cc2ccccc2C1 ZINC000672309418 1199201938 /nfs/dbraw/zinc/20/19/38/1199201938.db2.gz RFLBODUYVGWDGO-IBGZPJMESA-N 2 0 384.524 0.802 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330368 1199209883 /nfs/dbraw/zinc/20/98/83/1199209883.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 3 0 379.549 0.262 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214598 /nfs/dbraw/zinc/21/45/98/1199214598.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 2 0 396.580 0.241 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000672358019 1199215868 /nfs/dbraw/zinc/21/58/68/1199215868.db2.gz NXFNFBGSGSEDGV-RTBURBONSA-N 2 0 388.512 0.556 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000672358469 1199218714 /nfs/dbraw/zinc/21/87/14/1199218714.db2.gz ANLCXUCGFUIVCH-IBGZPJMESA-N 2 0 394.560 0.938 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638508 1199289089 /nfs/dbraw/zinc/28/90/89/1199289089.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 2 0 393.576 0.365 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672637818 1199291358 /nfs/dbraw/zinc/29/13/58/1199291358.db2.gz CUKKXEIDGBRUIM-SJLPKXTDSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638937 1199293645 /nfs/dbraw/zinc/29/36/45/1199293645.db2.gz WIYZCLTZQMUMJE-GOSISDBHSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640417 1199293957 /nfs/dbraw/zinc/29/39/57/1199293957.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 2 0 377.533 0.038 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641030 1199299017 /nfs/dbraw/zinc/29/90/17/1199299017.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 2 0 391.560 0.214 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672642483 1199300599 /nfs/dbraw/zinc/30/05/99/1199300599.db2.gz BMQDISWDHHQYCN-IRXDYDNUSA-N 2 0 379.549 0.260 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302364 /nfs/dbraw/zinc/30/23/64/1199302364.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 2 0 393.576 0.508 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643212 1199302576 /nfs/dbraw/zinc/30/25/76/1199302576.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 2 0 393.576 0.602 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641891 1199302828 /nfs/dbraw/zinc/30/28/28/1199302828.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 2 0 391.560 0.404 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000672642956 1199303793 /nfs/dbraw/zinc/30/37/93/1199303793.db2.gz YOEXOABSFSDPSK-QGZVFWFLSA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)CC1 ZINC000672642955 1199304441 /nfs/dbraw/zinc/30/44/41/1199304441.db2.gz YOEXOABSFSDPSK-KRWDZBQOSA-N 2 0 391.560 0.358 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642903 1199305073 /nfs/dbraw/zinc/30/50/73/1199305073.db2.gz JQTXBLXWQKMAIE-MSOLQXFVSA-N 2 0 393.576 0.652 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642833 1199306385 /nfs/dbraw/zinc/30/63/85/1199306385.db2.gz VXTYWSJGDIOIBQ-KRWDZBQOSA-N 2 0 393.576 0.509 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000672692886 1199317353 /nfs/dbraw/zinc/31/73/53/1199317353.db2.gz LEVAHZTUGIOKDN-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000672698465 1199318671 /nfs/dbraw/zinc/31/86/71/1199318671.db2.gz QMCXDSSXERPLMW-GOSISDBHSA-N 2 0 380.533 0.548 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000672698466 1199318909 /nfs/dbraw/zinc/31/89/09/1199318909.db2.gz QMCXDSSXERPLMW-SFHVURJKSA-N 2 0 380.533 0.548 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000077622150 1199319534 /nfs/dbraw/zinc/31/95/34/1199319534.db2.gz DSIAZCJDDJGZLY-IEBWSBKVSA-N 2 0 382.549 0.879 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)(C)C ZINC000672722647 1199321343 /nfs/dbraw/zinc/32/13/43/1199321343.db2.gz IUTLWQXFLCCEDY-ROUUACIJSA-N 2 0 395.592 0.707 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)(C)C ZINC000672722648 1199321491 /nfs/dbraw/zinc/32/14/91/1199321491.db2.gz IUTLWQXFLCCEDY-ZWKOTPCHSA-N 2 0 395.592 0.707 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672848613 1199345758 /nfs/dbraw/zinc/34/57/58/1199345758.db2.gz LJLXPDNZKNYVMP-UHFFFAOYSA-N 2 0 383.537 0.027 20 0 GCADRP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1(C)C ZINC000672854508 1199352241 /nfs/dbraw/zinc/35/22/41/1199352241.db2.gz HLPQLINSUCVOCT-SJORKVTESA-N 2 0 379.549 0.071 20 0 GCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1CCO ZINC000672957616 1199376932 /nfs/dbraw/zinc/37/69/32/1199376932.db2.gz QYECJUSISKMKJC-MSOLQXFVSA-N 2 0 382.549 0.852 20 0 GCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@@H+]1CCO ZINC000672957618 1199377012 /nfs/dbraw/zinc/37/70/12/1199377012.db2.gz QYECJUSISKMKJC-QZTJIDSGSA-N 2 0 382.549 0.852 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2)CC1 ZINC000672969769 1199380717 /nfs/dbraw/zinc/38/07/17/1199380717.db2.gz KOSLAXNCRFRTRR-CYBMUJFWSA-N 2 0 385.468 0.153 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CN1CCOCC1 ZINC000627346449 1199495707 /nfs/dbraw/zinc/49/57/07/1199495707.db2.gz RAZYNWZRHCACAO-RDBSUJKOSA-N 2 0 394.438 0.057 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627347059 1199498043 /nfs/dbraw/zinc/49/80/43/1199498043.db2.gz OKGBZLOHNWNFKM-LJQANCHMSA-N 2 0 388.512 0.783 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673337139 1199550210 /nfs/dbraw/zinc/55/02/10/1199550210.db2.gz HUMAJKXBGFCUAN-MSOLQXFVSA-N 2 0 382.549 0.719 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCC1 ZINC000673380744 1199583137 /nfs/dbraw/zinc/58/31/37/1199583137.db2.gz JISLHCGSUCHCRJ-GOSISDBHSA-N 2 0 393.576 0.463 20 0 GCADRP Cc1cncn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cncn3C1)C2 ZINC001003661897 1199618315 /nfs/dbraw/zinc/61/83/15/1199618315.db2.gz JBQMOMVLHQBDFS-AHCXZYCDSA-N 2 0 382.468 0.899 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCCO1 ZINC000673426410 1199629651 /nfs/dbraw/zinc/62/96/51/1199629651.db2.gz YEBZXIKKMVOFON-QGZVFWFLSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000673427678 1199630561 /nfs/dbraw/zinc/63/05/61/1199630561.db2.gz GRMBHUGKXJPGCN-SJORKVTESA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000673427682 1199631301 /nfs/dbraw/zinc/63/13/01/1199631301.db2.gz IQMFMVCNDQNVPW-ZWKOTPCHSA-N 2 0 380.533 0.690 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446302 1199659097 /nfs/dbraw/zinc/65/90/97/1199659097.db2.gz VGEPWBRCMKARBG-DLBZAZTESA-N 2 0 382.549 0.792 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673583413 1199826404 /nfs/dbraw/zinc/82/64/04/1199826404.db2.gz LOMAHNQJFNBWRC-OQIJWPOYSA-N 2 0 392.544 0.423 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673583412 1199826550 /nfs/dbraw/zinc/82/65/50/1199826550.db2.gz LOMAHNQJFNBWRC-NXWXRZEISA-N 2 0 392.544 0.423 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584835 1199828993 /nfs/dbraw/zinc/82/89/93/1199828993.db2.gz RRIIHKBSGOXQMJ-MSOLQXFVSA-N 2 0 380.533 0.329 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673584863 1199829012 /nfs/dbraw/zinc/82/90/12/1199829012.db2.gz WIZNWOCKKPMLRA-FGTMMUONSA-N 2 0 380.533 0.469 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000673586579 1199833644 /nfs/dbraw/zinc/83/36/44/1199833644.db2.gz NNTORNLXNIENLB-QYZOEREBSA-N 2 0 394.560 0.860 20 0 GCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)CC1 ZINC000125251464 1199875363 /nfs/dbraw/zinc/87/53/63/1199875363.db2.gz GEEUWMVQTQQACG-SFHVURJKSA-N 2 0 376.501 0.896 20 0 GCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157467449 1199918343 /nfs/dbraw/zinc/91/83/43/1199918343.db2.gz ILYDWOPKRZFWHP-QZTJIDSGSA-N 2 0 382.549 0.839 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000673672324 1199926692 /nfs/dbraw/zinc/92/66/92/1199926692.db2.gz CBZWHJJNFKODRG-RBBKRZOGSA-N 2 0 386.540 0.862 20 0 GCADRP Cn1cc(N2C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2=O)cn1 ZINC000625540568 1200020459 /nfs/dbraw/zinc/02/04/59/1200020459.db2.gz MIVLLFCQQJBAKU-INIZCTEOSA-N 2 0 378.521 0.505 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCSC1 ZINC000673978650 1200045242 /nfs/dbraw/zinc/04/52/42/1200045242.db2.gz AWWGICKDQMVMND-FUHWJXTLSA-N 2 0 385.578 0.129 20 0 GCADRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000674325453 1200221412 /nfs/dbraw/zinc/22/14/12/1200221412.db2.gz ZSJDSAOOUWCXHJ-UHFFFAOYSA-N 2 0 384.546 0.988 20 0 GCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000674329284 1200222348 /nfs/dbraw/zinc/22/23/48/1200222348.db2.gz YQVKPYDSEJBDBR-UHFFFAOYSA-N 2 0 383.537 0.339 20 0 GCADRP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004088 1200409287 /nfs/dbraw/zinc/40/92/87/1200409287.db2.gz LOFHEHAVZBHWIS-TVFCKZIOSA-N 2 0 378.521 0.775 20 0 GCADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004746 1200410388 /nfs/dbraw/zinc/41/03/88/1200410388.db2.gz WROVZAFTMVKWBO-MLHJIOFPSA-N 2 0 378.521 0.777 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1=O ZINC000246525200 1200410895 /nfs/dbraw/zinc/41/08/95/1200410895.db2.gz WBVVKGAIKUCAFI-IPMKNSEASA-N 2 0 394.560 0.888 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCOC1CCC1 ZINC000804083864 1200482077 /nfs/dbraw/zinc/48/20/77/1200482077.db2.gz HDBXGTBEHLVBLJ-UHFFFAOYSA-N 2 0 389.500 0.395 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)C1 ZINC000676169427 1200504418 /nfs/dbraw/zinc/50/44/18/1200504418.db2.gz XLZOOPLSGYNKAZ-XUVXKRRUSA-N 2 0 393.576 0.786 20 0 GCADRP C[NH+](C)CC1(CNC(=O)Nc2ccn(CCN3CCOCC3)n2)CCCC1 ZINC000546838991 1200627189 /nfs/dbraw/zinc/62/71/89/1200627189.db2.gz RPLWDWMHADCXAM-UHFFFAOYSA-N 2 0 378.521 1.459 20 0 GCADRP CN(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccsc1 ZINC000448487327 1200637603 /nfs/dbraw/zinc/63/76/03/1200637603.db2.gz GMABLQPIBHWTIQ-CQSZACIVSA-N 2 0 378.502 0.864 20 0 GCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000373326762 1200649445 /nfs/dbraw/zinc/64/94/45/1200649445.db2.gz DSRYBUYULANJRO-GDBMZVCRSA-N 2 0 376.505 1.077 20 0 GCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000373326766 1200650595 /nfs/dbraw/zinc/65/05/95/1200650595.db2.gz DSRYBUYULANJRO-HOCLYGCPSA-N 2 0 376.505 1.077 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+]1CCCC1 ZINC000365950199 1200654279 /nfs/dbraw/zinc/65/42/79/1200654279.db2.gz MGCNKLZXNRQQML-OAHLLOKOSA-N 2 0 376.505 0.936 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CCCC1 ZINC000376091231 1200660851 /nfs/dbraw/zinc/66/08/51/1200660851.db2.gz BDWGNDKOWDGOJV-UHFFFAOYSA-N 2 0 376.505 1.079 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1nc2n(n1)CCCC2 ZINC000455980614 1200787920 /nfs/dbraw/zinc/78/79/20/1200787920.db2.gz GIBVXTGXRXUUID-UHFFFAOYSA-N 2 0 384.488 1.343 20 0 GCADRP COC(=O)Cn1ccc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000444863766 1200799875 /nfs/dbraw/zinc/79/98/75/1200799875.db2.gz ZITSLFQMTSCOCD-UHFFFAOYSA-N 2 0 378.477 0.736 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000477065180 1200811358 /nfs/dbraw/zinc/81/13/58/1200811358.db2.gz KTPFGQKPMLJFIY-SFHVURJKSA-N 2 0 395.592 0.709 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000477107433 1200826666 /nfs/dbraw/zinc/82/66/66/1200826666.db2.gz MMBJYIATWDUIOV-MRXNPFEDSA-N 2 0 390.532 0.296 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427082993 1200834073 /nfs/dbraw/zinc/83/40/73/1200834073.db2.gz WNUAKXVQYPOFNG-UHFFFAOYSA-N 2 0 390.532 1.469 20 0 GCADRP Cc1cc(NC(=O)CC[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)no1 ZINC000584585811 1200834281 /nfs/dbraw/zinc/83/42/81/1200834281.db2.gz YCAYBQYJFJJYMC-UHFFFAOYSA-N 2 0 387.488 1.294 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000511901280 1200863983 /nfs/dbraw/zinc/86/39/83/1200863983.db2.gz HJUOXOKJIZYONL-AWEZNQCLSA-N 2 0 377.408 0.996 20 0 GCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000625898012 1200865889 /nfs/dbraw/zinc/86/58/89/1200865889.db2.gz CYDSNPWYDKLKAU-MRXNPFEDSA-N 2 0 377.489 0.159 20 0 GCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000923489108 1201042918 /nfs/dbraw/zinc/04/29/18/1201042918.db2.gz OEAFJOKOGWXPSL-HNNXBMFYSA-N 2 0 398.504 0.329 20 0 GCADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+]1CCCCC1 ZINC000373273936 1201053442 /nfs/dbraw/zinc/05/34/42/1201053442.db2.gz ZBQAIVASXRNHQZ-INIZCTEOSA-N 2 0 390.532 1.327 20 0 GCADRP C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(C)(C)C[NH+](C)C ZINC000375745676 1201059056 /nfs/dbraw/zinc/05/90/56/1201059056.db2.gz RHMFPNNVONNEDL-CQSZACIVSA-N 2 0 378.521 1.181 20 0 GCADRP C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535002317 1201077357 /nfs/dbraw/zinc/07/73/57/1201077357.db2.gz KIRUZNAHUCEOMO-SJORKVTESA-N 2 0 377.537 0.934 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923588463 1201169187 /nfs/dbraw/zinc/16/91/87/1201169187.db2.gz ZBKRBQWFNFEBCT-UHFFFAOYSA-N 2 0 381.546 0.064 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001079185069 1201249715 /nfs/dbraw/zinc/24/97/15/1201249715.db2.gz BLRFRSJHJPWTIA-WNRNVDISSA-N 2 0 376.476 0.925 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001079295762 1201251856 /nfs/dbraw/zinc/25/18/56/1201251856.db2.gz RZRYKULGYFDXHP-CWLKWCNXSA-N 2 0 376.476 0.925 20 0 GCADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082518196 1201336149 /nfs/dbraw/zinc/33/61/49/1201336149.db2.gz DTWJWEUBRZJLIV-AXUOBQJMSA-N 2 0 390.532 0.499 20 0 GCADRP Cc1noc(Cn2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2=O)n1 ZINC000527313302 1201362603 /nfs/dbraw/zinc/36/26/03/1201362603.db2.gz UYCLFAVOEJFXHQ-UHFFFAOYSA-N 2 0 376.461 0.153 20 0 GCADRP C[NH+](C)CCNC(=S)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950512 1201468506 /nfs/dbraw/zinc/46/85/06/1201468506.db2.gz PLAPWQMAIHKYBM-KRWDZBQOSA-N 2 0 377.558 0.910 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)COCCOCC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000731436307 1201484135 /nfs/dbraw/zinc/48/41/35/1201484135.db2.gz WILMXQDONBSKMV-QZTJIDSGSA-N 2 0 398.548 0.125 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735588748 1201694040 /nfs/dbraw/zinc/69/40/40/1201694040.db2.gz CKWXUGUKEQSPRR-CVEARBPZSA-N 2 0 390.484 0.675 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000741218254 1201763777 /nfs/dbraw/zinc/76/37/77/1201763777.db2.gz MEILZUBWOCHVJM-UHFFFAOYSA-N 2 0 399.536 0.018 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=S)NCC(C)(C)C[NH+](C)C)cn1 ZINC000741502345 1201780259 /nfs/dbraw/zinc/78/02/59/1201780259.db2.gz USQOYEPLDYCJAH-UHFFFAOYSA-N 2 0 383.566 0.435 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000745830735 1201891845 /nfs/dbraw/zinc/89/18/45/1201891845.db2.gz PNXLVZGFRLSFMK-WMZOPIPTSA-N 2 0 395.548 0.516 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCC[NH+](C)C ZINC001169197925 1201936119 /nfs/dbraw/zinc/93/61/19/1201936119.db2.gz YALPHPBSKKYCHX-OAHLLOKOSA-N 2 0 378.521 0.876 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398619 1201946282 /nfs/dbraw/zinc/94/62/82/1201946282.db2.gz SALNCVGGOFBVAA-ZJPYXAASSA-N 2 0 397.516 0.208 20 0 GCADRP CC(=O)N1CCC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001169613581 1201953269 /nfs/dbraw/zinc/95/32/69/1201953269.db2.gz ZQGHXUZOMHXZNS-SFHVURJKSA-N 2 0 379.549 0.168 20 0 GCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169924397 1201960083 /nfs/dbraw/zinc/96/00/83/1201960083.db2.gz OKUFKCFUJABIJL-KRWDZBQOSA-N 2 0 376.494 0.287 20 0 GCADRP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1C(=O)CNC1=O)C1CCC1 ZINC001109411698 1202040070 /nfs/dbraw/zinc/04/00/70/1202040070.db2.gz IKKOHZUQTRUNRU-PMPSAXMXSA-N 2 0 377.489 0.134 20 0 GCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485176 1202061547 /nfs/dbraw/zinc/06/15/47/1202061547.db2.gz OBLIGRUBFNUGOY-SQNIBIBYSA-N 2 0 378.517 0.489 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770580933 1202103819 /nfs/dbraw/zinc/10/38/19/1202103819.db2.gz DKUDDLJKBVJLFQ-HKUYNNGSSA-N 2 0 381.565 0.955 20 0 GCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724466 1202110321 /nfs/dbraw/zinc/11/03/21/1202110321.db2.gz ULLQSQWJZGDBPM-SQNIBIBYSA-N 2 0 382.549 0.839 20 0 GCADRP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771766100 1202161839 /nfs/dbraw/zinc/16/18/39/1202161839.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 2 0 379.549 0.660 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613629 1205395073 /nfs/dbraw/zinc/39/50/73/1205395073.db2.gz AUOLLPGTNADBRJ-IPMKNSEASA-N 2 0 394.560 0.839 20 0 GCADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688602 1205398841 /nfs/dbraw/zinc/39/88/41/1205398841.db2.gz KAWQQFXJSAHBPC-QZTJIDSGSA-N 2 0 380.533 0.737 20 0 GCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787910565 1205407029 /nfs/dbraw/zinc/40/70/29/1205407029.db2.gz ONZYQTSVHOUDJC-KURKYZTESA-N 2 0 380.533 0.594 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000787913019 1205407989 /nfs/dbraw/zinc/40/79/89/1205407989.db2.gz ULNCGLPRNUEGQI-GOSISDBHSA-N 2 0 381.565 0.511 20 0 GCADRP C[C@@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000790376100 1205463716 /nfs/dbraw/zinc/46/37/16/1205463716.db2.gz VNLGWLMEJLJCQO-SLYNCCJLSA-N 2 0 391.560 0.818 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1 ZINC000790372379 1205463725 /nfs/dbraw/zinc/46/37/25/1205463725.db2.gz VSMYCCVMMVDFRR-UYAOXDASSA-N 2 0 377.533 0.572 20 0 GCADRP CC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCO1 ZINC001170177571 1205489183 /nfs/dbraw/zinc/48/91/83/1205489183.db2.gz HIBOBNJDJIOHKD-MOPGFXCFSA-N 2 0 392.537 0.575 20 0 GCADRP Cn1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ccc1=O ZINC001170391633 1205491303 /nfs/dbraw/zinc/49/13/03/1205491303.db2.gz CYNISAWBMLSMPY-TZUPDSNESA-N 2 0 397.520 0.054 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C[NH3+])ccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170387441 1205491348 /nfs/dbraw/zinc/49/13/48/1205491348.db2.gz GPRYUTAKEZEFQD-FYAJOAKPSA-N 3 0 395.548 0.814 20 0 GCADRP CNc1ccnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170387930 1205491358 /nfs/dbraw/zinc/49/13/58/1205491358.db2.gz ILHVLPCROZZTKQ-KBXBGSNASA-N 2 0 396.536 0.792 20 0 GCADRP Cn1ccccc1=[N+]([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1N ZINC001170389498 1205491381 /nfs/dbraw/zinc/49/13/81/1205491381.db2.gz QZBYNZAHYQAYEU-QAGGRKNESA-N 2 0 381.541 0.785 20 0 GCADRP Cn1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ccc1=O ZINC001170397344 1205491587 /nfs/dbraw/zinc/49/15/87/1205491587.db2.gz VCLXHJVKWFPOGZ-AOILIUCDSA-N 2 0 396.532 0.659 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)c1 ZINC000793710621 1205503066 /nfs/dbraw/zinc/50/30/66/1205503066.db2.gz TWCGUPLGONMNRY-MRXNPFEDSA-N 2 0 389.500 0.729 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)c1 ZINC000793710619 1205503083 /nfs/dbraw/zinc/50/30/83/1205503083.db2.gz TWCGUPLGONMNRY-INIZCTEOSA-N 2 0 389.500 0.729 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000793727568 1205503758 /nfs/dbraw/zinc/50/37/58/1205503758.db2.gz UFQPSOPNZFXZRA-QRQLOZEOSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000793699101 1205504393 /nfs/dbraw/zinc/50/43/93/1205504393.db2.gz LTCCEUUFRRYBLW-QGZVFWFLSA-N 2 0 393.576 0.652 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)c1 ZINC000793872027 1205508420 /nfs/dbraw/zinc/50/84/20/1205508420.db2.gz WRDMURGCGTUVHR-RTBURBONSA-N 2 0 388.512 0.734 20 0 GCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000806210527 1205551674 /nfs/dbraw/zinc/55/16/74/1205551674.db2.gz SLHUPVOBVFSGQP-RYRKJORJSA-N 2 0 379.549 0.260 20 0 GCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000806210529 1205551756 /nfs/dbraw/zinc/55/17/56/1205551756.db2.gz SLHUPVOBVFSGQP-XYJFISCASA-N 2 0 379.549 0.260 20 0 GCADRP Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000806239419 1205552493 /nfs/dbraw/zinc/55/24/93/1205552493.db2.gz PHEBGZAUCVAFSD-QGZVFWFLSA-N 2 0 376.505 0.230 20 0 GCADRP CCOC(=O)C1C[NH2+]CCC1=Nc1ncccc1C(=O)NCCC[NH+](C)C ZINC001170513852 1205569119 /nfs/dbraw/zinc/56/91/19/1205569119.db2.gz DEXWOFVCWWXDLN-UHFFFAOYSA-N 2 0 375.473 0.986 20 0 GCADRP CC(C)([NH3+])CN(c1nccc(N2CC[NH2+]CC2)n1)S(=O)(=O)c1ccccc1 ZINC001170597081 1205633784 /nfs/dbraw/zinc/63/37/84/1205633784.db2.gz RQDMPAHIVRVLSA-UHFFFAOYSA-N 2 0 390.513 0.819 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)CN1C(=O)OC(C)(C)C ZINC001170612744 1205641048 /nfs/dbraw/zinc/64/10/48/1205641048.db2.gz GZUWKAVZPZFYAI-MCIONIFRSA-N 2 0 387.477 0.655 20 0 GCADRP COC(=O)CC[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000811761750 1205657270 /nfs/dbraw/zinc/65/72/70/1205657270.db2.gz UEGGCFJIZWYNDM-DNVCBOLYSA-N 2 0 380.489 0.871 20 0 GCADRP O=C(CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296862 1205689175 /nfs/dbraw/zinc/68/91/75/1205689175.db2.gz MLKJNZSVSCYHJT-IAGOWNOFSA-N 2 0 381.521 0.141 20 0 GCADRP O=C(CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296864 1205689251 /nfs/dbraw/zinc/68/92/51/1205689251.db2.gz MLKJNZSVSCYHJT-SJORKVTESA-N 2 0 381.521 0.141 20 0 GCADRP CCOC(=O)[C@]1(C(C)C)CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000773327642 1205707632 /nfs/dbraw/zinc/70/76/32/1205707632.db2.gz DJUFGCFTXDZVOZ-GOSISDBHSA-N 2 0 380.489 0.871 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173755948 1205727470 /nfs/dbraw/zinc/72/74/70/1205727470.db2.gz XEBJLZQKGYTGBD-UONOGXRCSA-N 2 0 388.476 0.495 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001176542504 1205748453 /nfs/dbraw/zinc/74/84/53/1205748453.db2.gz KYCYBQVGBJKBNQ-XHSDSOJGSA-N 2 0 384.521 0.499 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cnc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001176836373 1205756036 /nfs/dbraw/zinc/75/60/36/1205756036.db2.gz HETQCCPSAOCPGR-ADBDHWBDSA-N 2 0 397.520 0.248 20 0 GCADRP Cc1cccnc1CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001177457718 1205769919 /nfs/dbraw/zinc/76/99/19/1205769919.db2.gz XBACEIXBJJRFSJ-UHFFFAOYSA-N 2 0 387.528 0.629 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccon2)[C@H](O)OC(C)(C)C)C1 ZINC001177516946 1205770850 /nfs/dbraw/zinc/77/08/50/1205770850.db2.gz QNHXQHKCMVUPAB-LZDZAVHKSA-N 2 0 398.504 0.513 20 0 GCADRP Cn1nnc2c1CCN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001178691657 1205792152 /nfs/dbraw/zinc/79/21/52/1205792152.db2.gz GJZFIXBVWLJXKU-QZTJIDSGSA-N 2 0 390.532 0.838 20 0 GCADRP CC(C)[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC1 ZINC001180347550 1205821867 /nfs/dbraw/zinc/82/18/67/1205821867.db2.gz XEJZNLMFZSFHDO-UHFFFAOYSA-N 2 0 385.512 0.869 20 0 GCADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CN1CC[NH+](C(C)C)CC1)CC2 ZINC001180345440 1205821951 /nfs/dbraw/zinc/82/19/51/1205821951.db2.gz NJLNZDWCHSAVBF-UHFFFAOYSA-N 2 0 379.549 0.215 20 0 GCADRP COc1cc(C)nc(N(C(=O)CN2CC[NH+](C(C)C)CC2)C2CC[NH2+]CC2)n1 ZINC001180347008 1205822060 /nfs/dbraw/zinc/82/20/60/1205822060.db2.gz REKCLZZNZPVNCD-UHFFFAOYSA-N 2 0 390.532 0.905 20 0 GCADRP C[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)[NH+]1CCCC1 ZINC001180579542 1205826353 /nfs/dbraw/zinc/82/63/53/1205826353.db2.gz MTTWZZUEQAYPFR-QGZVFWFLSA-N 2 0 379.549 0.168 20 0 GCADRP CC(C)(C)OC(=O)C1(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)CCC([NH3+])CC1 ZINC001180612511 1205828770 /nfs/dbraw/zinc/82/87/70/1205828770.db2.gz PZMOJJIDTSEGEK-UHFFFAOYSA-N 2 0 396.532 0.672 20 0 GCADRP C[C@@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+])[NH+](C)C ZINC001180864972 1205834664 /nfs/dbraw/zinc/83/46/64/1205834664.db2.gz NNAQEGYZOBDUEW-KPKLZHCVSA-N 3 0 388.553 0.232 20 0 GCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CC12CCC[NH+]1CCC2 ZINC001181104981 1205838496 /nfs/dbraw/zinc/83/84/96/1205838496.db2.gz HCWZUGKENGEIAP-UHFFFAOYSA-N 2 0 382.486 0.627 20 0 GCADRP CO[C@H](C)CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181601934 1205847334 /nfs/dbraw/zinc/84/73/34/1205847334.db2.gz SARUGUZCFSLKQO-DNTJOWKISA-N 2 0 389.537 0.707 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001181978350 1205852488 /nfs/dbraw/zinc/85/24/88/1205852488.db2.gz OOJQRGPCEDARIG-CQSZACIVSA-N 2 0 377.489 0.581 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001182032833 1205853810 /nfs/dbraw/zinc/85/38/10/1205853810.db2.gz UYCGZWHWTGPRQK-SJLPKXTDSA-N 2 0 377.460 0.946 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001182031078 1205853847 /nfs/dbraw/zinc/85/38/47/1205853847.db2.gz LHNIJGKERPZREQ-KSSFIOAISA-N 2 0 378.448 0.531 20 0 GCADRP C[NH+]1CCC(O)(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001182031665 1205854035 /nfs/dbraw/zinc/85/40/35/1205854035.db2.gz CLOXUDNFYCAPSY-CVEARBPZSA-N 2 0 396.532 0.501 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001185250106 1205918952 /nfs/dbraw/zinc/91/89/52/1205918952.db2.gz COINYZKNNMDSGK-KRWDZBQOSA-N 2 0 383.500 0.203 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000774925730 1205928568 /nfs/dbraw/zinc/92/85/68/1205928568.db2.gz VPMHOBPXWPIVRX-QYZOEREBSA-N 2 0 388.512 0.255 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000774925728 1205928694 /nfs/dbraw/zinc/92/86/94/1205928694.db2.gz VPMHOBPXWPIVRX-GBESFXJTSA-N 2 0 388.512 0.255 20 0 GCADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001186038386 1205933629 /nfs/dbraw/zinc/93/36/29/1205933629.db2.gz PNMPEMYDOVSNTJ-XWSJACJDSA-N 2 0 388.516 0.046 20 0 GCADRP C[NH+](C)CCN(C(=O)CN1CC[C@@H](O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044729 1205933750 /nfs/dbraw/zinc/93/37/50/1205933750.db2.gz JMTVREMTUQMLAA-IAGOWNOFSA-N 2 0 398.548 0.843 20 0 GCADRP C[NH+](C)CCN(C(=O)CN1CC[C@@H](O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044728 1205933907 /nfs/dbraw/zinc/93/39/07/1205933907.db2.gz JMTVREMTUQMLAA-DLBZAZTESA-N 2 0 398.548 0.843 20 0 GCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)CN3CC[C@@H](O)C3)CC2)c1 ZINC001186055085 1205934490 /nfs/dbraw/zinc/93/44/90/1205934490.db2.gz KLCGTGRLUDZNAB-GOSISDBHSA-N 2 0 375.469 0.620 20 0 GCADRP Cn1nnc2c1CCN(C(=O)[C@H]1CCC[N@H+](C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001186354196 1205938583 /nfs/dbraw/zinc/93/85/83/1205938583.db2.gz ZTMFQHSLYCGKEJ-FUHWJXTLSA-N 2 0 390.532 0.695 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775045502 1205945407 /nfs/dbraw/zinc/94/54/07/1205945407.db2.gz UGEXVJSQWUPUIS-GUDVDZBRSA-N 2 0 386.496 0.357 20 0 GCADRP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNC(=O)NC(C)(C)C)C1 ZINC001110417035 1206014789 /nfs/dbraw/zinc/01/47/89/1206014789.db2.gz GVWVGOBQBGKAIS-WCVJEAGWSA-N 2 0 381.521 0.136 20 0 GCADRP CCOC(=O)CNC(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001189895416 1206022110 /nfs/dbraw/zinc/02/21/10/1206022110.db2.gz WLHKLKJGCHHPMH-UHFFFAOYSA-N 2 0 395.548 0.435 20 0 GCADRP Cn1nnc2c1CCN(c1cc(C3C[NH2+]C3)ncn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719263 720207255 /nfs/dbraw/zinc/20/72/55/720207255.db2.gz PUNWMZWAXYRKRQ-SFHVURJKSA-N 2 0 398.515 0.508 20 0 GCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)CC[NH2+]C3)CCC2 ZINC001164815453 720214210 /nfs/dbraw/zinc/21/42/10/720214210.db2.gz ZLEIUIJRNFKFCH-UHFFFAOYSA-N 2 0 383.500 0.930 20 0 GCADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164741540 720609350 /nfs/dbraw/zinc/60/93/50/720609350.db2.gz LLPXPWGTRADVRZ-OLZOCXBDSA-N 2 0 387.875 0.908 20 0 GCADRP c1ncc(O[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)cn1 ZINC001164743763 720707733 /nfs/dbraw/zinc/70/77/33/720707733.db2.gz YEVVOGOAQGTIBQ-HZPDHXFCSA-N 2 0 382.472 0.018 20 0 GCADRP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745812 720768647 /nfs/dbraw/zinc/76/86/47/720768647.db2.gz VWPROYGSYWMZFD-RDJZCZTQSA-N 2 0 397.483 0.739 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164855994 720858941 /nfs/dbraw/zinc/85/89/41/720858941.db2.gz NGLJLJLKXYCJOB-SJORKVTESA-N 2 0 376.505 0.060 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164765249 721092212 /nfs/dbraw/zinc/09/22/12/721092212.db2.gz ISQIVZBTTDRVQI-ROUUACIJSA-N 2 0 382.516 0.578 20 0 GCADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@@H+]3C2)c1 ZINC001164862833 721096060 /nfs/dbraw/zinc/09/60/60/721096060.db2.gz BBAZJHGPUGQPAP-RBUKOAKNSA-N 2 0 395.511 0.761 20 0 GCADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C5C[NH2+]C5)ncn4)C3)O2)CC1 ZINC001164884295 721453121 /nfs/dbraw/zinc/45/31/21/721453121.db2.gz AOZFGKDUFGOFFL-GHTZIAJQSA-N 2 0 386.544 0.929 20 0 GCADRP O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)C12CC[NH+](CC1)C2 ZINC001571260424 945413721 /nfs/dbraw/zinc/41/37/21/945413721.db2.gz SIWSFTIXJVWUFQ-SHTZXODSSA-N 2 0 385.447 0.838 20 0 GCADRP CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001571263796 945468394 /nfs/dbraw/zinc/46/83/94/945468394.db2.gz BFKVUFRGNNLQDG-BRWVUGGUSA-N 2 0 385.472 0.134 20 0 GCADRP Cc1cc(N[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571271603 945645920 /nfs/dbraw/zinc/64/59/20/945645920.db2.gz FLTNINFEPNOJAN-JLZZUVOBSA-N 2 0 386.504 0.837 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C[NH+](C)C ZINC001571272363 945662565 /nfs/dbraw/zinc/66/25/65/945662565.db2.gz SYCDBYVVAQMUCP-HZPDHXFCSA-N 2 0 386.504 0.476 20 0 GCADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571281420 945803449 /nfs/dbraw/zinc/80/34/49/945803449.db2.gz IGRZDOAJARDHLQ-WBVHZDCISA-N 2 0 387.488 0.524 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283116 945875255 /nfs/dbraw/zinc/87/52/55/945875255.db2.gz ZMLLCBRRUOTMFQ-XEZPLFJOSA-N 2 0 387.463 0.942 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824414161 946697150 /nfs/dbraw/zinc/69/71/50/946697150.db2.gz VWKQNEGTTHMLLN-OAHLLOKOSA-N 2 0 395.515 0.993 20 0 GCADRP CC(C)(C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573764573 948888812 /nfs/dbraw/zinc/88/88/12/948888812.db2.gz OKOJPTBAMFKDRF-UHFFFAOYSA-N 2 0 384.488 0.961 20 0 GCADRP CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCC1 ZINC001573774799 949019912 /nfs/dbraw/zinc/01/99/12/949019912.db2.gz WLRKPJYRDIOYAU-MRXNPFEDSA-N 2 0 387.488 0.308 20 0 GCADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574931038 949111491 /nfs/dbraw/zinc/11/14/91/949111491.db2.gz MSTNDISIORZPBO-AWEZNQCLSA-N 2 0 387.488 0.572 20 0 GCADRP CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+]1CCCC1 ZINC001573787218 949170625 /nfs/dbraw/zinc/17/06/25/949170625.db2.gz PVQWSWITTSXNCH-FOLVSLTJSA-N 2 0 382.472 0.687 20 0 GCADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575256854 949260208 /nfs/dbraw/zinc/26/02/08/949260208.db2.gz XIYYCQJIVPMKQF-AWEZNQCLSA-N 2 0 381.484 0.899 20 0 GCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263784 949406959 /nfs/dbraw/zinc/40/69/59/949406959.db2.gz JMBPOAWBHXQXSR-TZMCWYRMSA-N 2 0 387.463 0.894 20 0 GCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263829 949409997 /nfs/dbraw/zinc/40/99/97/949409997.db2.gz JZJBXQNYNVMVDY-QWHCGFSZSA-N 2 0 387.463 0.894 20 0 GCADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711826 949556722 /nfs/dbraw/zinc/55/67/22/949556722.db2.gz MRENOUYMJBLSBO-STQMWFEESA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575270114 949575271 /nfs/dbraw/zinc/57/52/71/949575271.db2.gz BEYMCMWVKCKZGV-LBPRGKRZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575271122 949615336 /nfs/dbraw/zinc/61/53/36/949615336.db2.gz IMYRPLWLRGVJBP-GFCCVEGCSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181049 949984308 /nfs/dbraw/zinc/98/43/08/949984308.db2.gz GYEDGNDRNQWJLV-GJZGRUSLSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576192538 950254147 /nfs/dbraw/zinc/25/41/47/950254147.db2.gz NKGIMUOAMBJLGO-AWEZNQCLSA-N 2 0 386.504 0.922 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197452 950389176 /nfs/dbraw/zinc/38/91/76/950389176.db2.gz OKFPQQZKPXMDBS-GJZGRUSLSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576204950 950488009 /nfs/dbraw/zinc/48/80/09/950488009.db2.gz DZFGNODELKYRGD-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576204948 950489091 /nfs/dbraw/zinc/48/90/91/950489091.db2.gz DZFGNODELKYRGD-CHWSQXEVSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576205707 950534659 /nfs/dbraw/zinc/53/46/59/950534659.db2.gz NEIBGUDUJAISQB-AWEZNQCLSA-N 2 0 384.488 0.724 20 0 GCADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576205757 950537572 /nfs/dbraw/zinc/53/75/72/950537572.db2.gz OMVLKZRSDPJWFU-QGZVFWFLSA-N 2 0 387.488 0.165 20 0 GCADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576205756 950539638 /nfs/dbraw/zinc/53/96/38/950539638.db2.gz OMVLKZRSDPJWFU-KRWDZBQOSA-N 2 0 387.488 0.165 20 0 GCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576205840 950544293 /nfs/dbraw/zinc/54/42/93/950544293.db2.gz QFYVLGCISDKYPU-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207439 950593365 /nfs/dbraw/zinc/59/33/65/950593365.db2.gz HWKVEQHWAXJIFD-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576207681 950598631 /nfs/dbraw/zinc/59/86/31/950598631.db2.gz IHJXEYBUNCXJTN-ZDUSSCGKSA-N 2 0 375.452 0.896 20 0 GCADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576217343 950758738 /nfs/dbraw/zinc/75/87/38/950758738.db2.gz GTYCZFCSUSYAEE-CJNGLKHVSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575077418 951668231 /nfs/dbraw/zinc/66/82/31/951668231.db2.gz CLURMTORVRUJHD-OCCSQVGLSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079054 951687634 /nfs/dbraw/zinc/68/76/34/951687634.db2.gz PARHETRKTCNTMJ-CYBMUJFWSA-N 2 0 387.463 0.944 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079486 951693151 /nfs/dbraw/zinc/69/31/51/951693151.db2.gz PZADLYAMZKXDJZ-MLGOLLRUSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081708 951725107 /nfs/dbraw/zinc/72/51/07/951725107.db2.gz RTKFHYBAXPIOQW-OCCSQVGLSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082342 951732547 /nfs/dbraw/zinc/73/25/47/951732547.db2.gz XKQJFJOCSBHVGW-MLGOLLRUSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575091654 951781037 /nfs/dbraw/zinc/78/10/37/951781037.db2.gz TZOPZJJBLXDMNE-TZMCWYRMSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575145016 952177373 /nfs/dbraw/zinc/17/73/73/952177373.db2.gz OEUJNPPKWMVAPR-STQMWFEESA-N 2 0 381.444 0.402 20 0 GCADRP O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571190463 952942054 /nfs/dbraw/zinc/94/20/54/952942054.db2.gz JIKFQRSSFVLMHE-FGTMMUONSA-N 2 0 381.484 0.945 20 0 GCADRP Cc1cc(NC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571251958 953321372 /nfs/dbraw/zinc/32/13/72/953321372.db2.gz CQFJYCOYGFBTCP-CQSZACIVSA-N 2 0 384.488 0.879 20 0 GCADRP Cc1cc(NC2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252427 953328984 /nfs/dbraw/zinc/32/89/84/953328984.db2.gz MHPMJTDOOGDRQN-MQBCKMQZSA-N 2 0 384.488 0.926 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571252532 953329917 /nfs/dbraw/zinc/32/99/17/953329917.db2.gz OYDJWVTVLSRBDP-QLFBSQMISA-N 2 0 384.488 0.674 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323552 530141938 /nfs/dbraw/zinc/14/19/38/530141938.db2.gz HKFRDNWIZPRUQF-CYBMUJFWSA-N 2 0 388.921 0.664 20 0 GCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000648149268 530171557 /nfs/dbraw/zinc/17/15/57/530171557.db2.gz FRULSIUTORGJMK-KGLIPLIRSA-N 2 0 381.489 0.589 20 0 GCADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000642909205 530265074 /nfs/dbraw/zinc/26/50/74/530265074.db2.gz IJLRJEWHTZILPH-GFCCVEGCSA-N 2 0 385.306 0.803 20 0 GCADRP C[NH+](CC(=O)NCCCNC(=O)C[N@@H+](C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000583398208 530269879 /nfs/dbraw/zinc/26/98/79/530269879.db2.gz GHWPMCLGZHTXSJ-GASCZTMLSA-N 2 0 388.603 0.484 20 0 GCADRP CS[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000601397860 530385538 /nfs/dbraw/zinc/38/55/38/530385538.db2.gz VNRSIMBLSPRCRM-DLBZAZTESA-N 2 0 390.619 0.465 20 0 GCADRP C[NH2+]CCC1CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000563152688 530496379 /nfs/dbraw/zinc/49/63/79/530496379.db2.gz ZTMUODARBCTWTH-UHFFFAOYSA-N 2 0 376.567 0.484 20 0 GCADRP C[C@]([NH3+])(C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(Br)cc1 ZINC000566497023 530531340 /nfs/dbraw/zinc/53/13/40/530531340.db2.gz WMSBYQAQGPSIQV-XJKCOSOUSA-N 2 0 381.274 0.393 20 0 GCADRP CN(CCCNC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)S(C)(=O)=O ZINC000501768681 530870356 /nfs/dbraw/zinc/87/03/56/530870356.db2.gz DNOBXOQEDMLWAK-UHFFFAOYSA-N 2 0 376.567 0.438 20 0 GCADRP C[C@]([NH3+])(C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000261987085 530991849 /nfs/dbraw/zinc/99/18/49/530991849.db2.gz QJDITQVFUNHXKR-YVEFUNNKSA-N 2 0 397.317 0.937 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Br)cn1 ZINC000525175087 530992913 /nfs/dbraw/zinc/99/29/13/530992913.db2.gz KGLFPDDROAVPSZ-UHFFFAOYSA-N 2 0 379.324 0.958 20 0 GCADRP CN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000423187282 531017483 /nfs/dbraw/zinc/01/74/83/531017483.db2.gz XVAWYFAESPUDFU-UHFFFAOYSA-N 2 0 385.306 0.756 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000736767477 599023890 /nfs/dbraw/zinc/02/38/90/599023890.db2.gz QNPJFYAZZDVLHN-UHFFFAOYSA-N 2 0 378.456 0.641 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736761136 598259431 /nfs/dbraw/zinc/25/94/31/598259431.db2.gz FLLRHRDXEITNJY-UHFFFAOYSA-N 2 0 396.521 0.156 20 0 GCADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000736769945 598523168 /nfs/dbraw/zinc/52/31/68/598523168.db2.gz XUZXIMFZRGRXBO-OAHLLOKOSA-N 2 0 397.487 0.835 20 0 GCADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736771427 598528009 /nfs/dbraw/zinc/52/80/09/598528009.db2.gz LEQIETBKGJKIOA-AWEZNQCLSA-N 2 0 397.487 0.835 20 0 GCADRP COCCC[NH+]1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736982536 598529738 /nfs/dbraw/zinc/52/97/38/598529738.db2.gz YQPGUGKVNBGHDC-ZDUSSCGKSA-N 2 0 375.481 0.195 20 0 GCADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736847286 598768414 /nfs/dbraw/zinc/76/84/14/598768414.db2.gz GEPVWMWWGBVQSY-INIZCTEOSA-N 2 0 383.456 0.772 20 0 GCADRP CC(C)[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N1CC[NH+](C)CC1 ZINC000735706865 599484522 /nfs/dbraw/zinc/48/45/22/599484522.db2.gz FCIHVEFUDUITCQ-QGZVFWFLSA-N 2 0 383.504 0.876 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821587170 606859209 /nfs/dbraw/zinc/85/92/09/606859209.db2.gz KBWKWSCIYZDHMD-KRWDZBQOSA-N 2 0 387.488 0.290 20 0 GCADRP C[NH+](C)CCCN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000934307280 638531183 /nfs/dbraw/zinc/53/11/83/638531183.db2.gz DAVGCPKXFLZRFM-OAHLLOKOSA-N 2 0 375.535 0.065 20 0 GCADRP Cn1nc(Br)nc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000894987449 638718595 /nfs/dbraw/zinc/71/85/95/638718595.db2.gz RICMJAIHGQSUOM-UHFFFAOYSA-N 2 0 387.326 0.464 20 0 GCADRP COC(=O)c1ccc(F)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000729267751 639175505 /nfs/dbraw/zinc/17/55/05/639175505.db2.gz HUOIRMCJIOFZLR-UHFFFAOYSA-N 2 0 375.466 0.726 20 0 GCADRP CN(CCS(=O)(=O)CCN(C)CC1(O)CCCC1)CC1(O)CCCC1 ZINC000152102556 639683100 /nfs/dbraw/zinc/68/31/00/639683100.db2.gz OVIQCPJHJGULLB-UHFFFAOYSA-N 2 0 376.563 0.875 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)C1CCOCC1 ZINC000739953187 640201944 /nfs/dbraw/zinc/20/19/44/640201944.db2.gz GLMVDSCSACWKEL-KRWDZBQOSA-N 2 0 376.567 0.690 20 0 GCADRP CC[NH+](CC)CCN(C(=S)NCCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000839416786 640212070 /nfs/dbraw/zinc/21/20/70/640212070.db2.gz QLZJRPMNUDNCFI-HNNXBMFYSA-N 2 0 378.608 0.644 20 0 GCADRP Cc1nc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Br)n1C ZINC000804986552 640363205 /nfs/dbraw/zinc/36/32/05/640363205.db2.gz NXSLEHWJGCEQAZ-UHFFFAOYSA-N 2 0 396.355 0.605 20 0 GCADRP CCOC(=O)C1(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000867589854 641359981 /nfs/dbraw/zinc/35/99/81/641359981.db2.gz MLAYKTXRICIICT-HUUCEWRRSA-N 2 0 375.535 0.473 20 0 GCADRP CO[C@H](CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCOC1 ZINC000867591033 641360317 /nfs/dbraw/zinc/36/03/17/641360317.db2.gz XSCQBFMQVLOGMY-QBPKDAKJSA-N 2 0 377.551 0.039 20 0 GCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000872234811 641465451 /nfs/dbraw/zinc/46/54/51/641465451.db2.gz IMERSKAVBLORNK-KBPBESRZSA-N 2 0 384.318 0.951 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)C[C@H]1C[NH+](C)C ZINC000875002304 641535284 /nfs/dbraw/zinc/53/52/84/641535284.db2.gz XTENAUCBSCFWDS-JHJVBQTASA-N 2 0 379.332 0.494 20 0 GCADRP Cn1ncc(I)c1C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925727521 641915783 /nfs/dbraw/zinc/91/57/83/641915783.db2.gz GWLWQZSPHKJJDS-WEPVZDJVSA-N 2 0 376.242 0.867 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000842481823 642337619 /nfs/dbraw/zinc/33/76/19/642337619.db2.gz MXUPABBMDXMVDG-UHFFFAOYSA-N 2 0 385.458 0.371 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662983644 1192176457 /nfs/dbraw/zinc/17/64/57/1192176457.db2.gz KVAJGSDRPGWXDV-AEFFLSMTSA-N 2 0 398.548 0.158 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000642683223 1192177487 /nfs/dbraw/zinc/17/74/87/1192177487.db2.gz FZSHBMMYHSGOLT-KDOFPFPSSA-N 2 0 392.475 0.481 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000661979458 1192210683 /nfs/dbraw/zinc/21/06/83/1192210683.db2.gz XIDMSUYMKRRVFO-GOSISDBHSA-N 2 0 393.532 0.189 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000661980362 1192211326 /nfs/dbraw/zinc/21/13/26/1192211326.db2.gz AUROIRUNCWJPKQ-QYZOEREBSA-N 2 0 380.533 0.917 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000636676513 1192256486 /nfs/dbraw/zinc/25/64/86/1192256486.db2.gz JHRKSUQHXDATOC-RBUKOAKNSA-N 2 0 388.512 0.522 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000500437438 1192259791 /nfs/dbraw/zinc/25/97/91/1192259791.db2.gz VPOOJTSRFQEEDE-IRXDYDNUSA-N 2 0 382.549 0.840 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@H](C)C1 ZINC000500437439 1192259948 /nfs/dbraw/zinc/25/99/48/1192259948.db2.gz VPOOJTSRFQEEDE-SJORKVTESA-N 2 0 382.549 0.840 20 0 GCADRP O=C(CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCOCC1 ZINC000662338724 1192284965 /nfs/dbraw/zinc/28/49/65/1192284965.db2.gz UXGUWSXJQWXKQL-MRXNPFEDSA-N 2 0 376.505 0.248 20 0 GCADRP O=c1cc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]c2ccnn21 ZINC000662338768 1192285080 /nfs/dbraw/zinc/28/50/80/1192285080.db2.gz VUFDHPCQEHYMAT-AWEZNQCLSA-N 2 0 382.472 0.535 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000662386381 1192287793 /nfs/dbraw/zinc/28/77/93/1192287793.db2.gz GUMGFYWEZULJON-INIZCTEOSA-N 2 0 383.500 0.954 20 0 GCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000636732575 1192291559 /nfs/dbraw/zinc/29/15/59/1192291559.db2.gz JBYZSCKYLJGGLN-IBGZPJMESA-N 2 0 376.501 0.509 20 0 GCADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001719829582 1192291610 /nfs/dbraw/zinc/29/16/10/1192291610.db2.gz YDAJFWLRFGPOII-BDXSIMOUSA-N 2 0 378.517 0.155 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000162575946 1192297791 /nfs/dbraw/zinc/29/77/91/1192297791.db2.gz SKICPJRIYNHECZ-SFHVURJKSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC3CC[NH2+]CC3)c2)CC1 ZINC000652644307 1192309602 /nfs/dbraw/zinc/30/96/02/1192309602.db2.gz YKRALXTUFVRDLQ-UHFFFAOYSA-N 2 0 387.528 0.878 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662528105 1192311780 /nfs/dbraw/zinc/31/17/80/1192311780.db2.gz VEHGZWODCQNPRK-IAGOWNOFSA-N 2 0 389.548 0.833 20 0 GCADRP CC[NH+]1CCN(CCNc2cc(NCCN3CC[NH+](CC)CC3)ncn2)CC1 ZINC000663396719 1192321997 /nfs/dbraw/zinc/32/19/97/1192321997.db2.gz JABQVZPFFGXEPW-UHFFFAOYSA-N 2 0 390.580 0.575 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](c2ccccc2)O1 ZINC000563147621 1192360723 /nfs/dbraw/zinc/36/07/23/1192360723.db2.gz PFNCOBUZSGYSLC-HKUYNNGSSA-N 2 0 390.528 0.927 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000585716556 1192396711 /nfs/dbraw/zinc/39/67/11/1192396711.db2.gz IBTJTQLIHSMFCR-RTBURBONSA-N 2 0 393.576 0.461 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000663580397 1192400308 /nfs/dbraw/zinc/40/03/08/1192400308.db2.gz QFEXVJOHGKEGQL-UHFFFAOYSA-N 2 0 390.532 0.707 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663616300 1192419204 /nfs/dbraw/zinc/41/92/04/1192419204.db2.gz UXSJPXSTIXBSDO-HXUWFJFHSA-N 2 0 389.500 0.565 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)NCCC[NH+]3CCCCC3)C2)C1 ZINC000652672773 1192420673 /nfs/dbraw/zinc/42/06/73/1192420673.db2.gz WBSCLRLPSGRIPA-KURKYZTESA-N 2 0 380.533 0.724 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000512108367 1192449078 /nfs/dbraw/zinc/44/90/78/1192449078.db2.gz VSNFYPVBRGKCRD-MSOLQXFVSA-N 2 0 375.517 0.669 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652678154 1192487704 /nfs/dbraw/zinc/48/77/04/1192487704.db2.gz VURMKTDJIPQZNS-XWSJACJDSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000279351076 1192528676 /nfs/dbraw/zinc/52/86/76/1192528676.db2.gz UAEOBRPJMIMPSA-HNNXBMFYSA-N 2 0 398.467 0.918 20 0 GCADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512250870 1192575064 /nfs/dbraw/zinc/57/50/64/1192575064.db2.gz WCRISMURGQFXKT-MRXNPFEDSA-N 2 0 392.500 0.722 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000637477405 1192591146 /nfs/dbraw/zinc/59/11/46/1192591146.db2.gz UAEUXESSJVGTKM-MSOLQXFVSA-N 2 0 377.533 0.951 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCSC1 ZINC000652685618 1192611282 /nfs/dbraw/zinc/61/12/82/1192611282.db2.gz PQUQXHQQVUKHQF-RCJHGTSTSA-N 2 0 398.573 0.285 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCSC1 ZINC000652685615 1192611343 /nfs/dbraw/zinc/61/13/43/1192611343.db2.gz PQUQXHQQVUKHQF-FPXQBCRKSA-N 2 0 398.573 0.285 20 0 GCADRP COC[C@]1(CNC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000418635039 1192621754 /nfs/dbraw/zinc/62/17/54/1192621754.db2.gz JZTYTHOOCFLQSZ-CMKODMSKSA-N 2 0 381.565 0.955 20 0 GCADRP COC[C@@]1(CNC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000418633426 1192621781 /nfs/dbraw/zinc/62/17/81/1192621781.db2.gz IGJNBWAFDYQYHB-QUCCMNQESA-N 2 0 376.501 0.473 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)C[C@H](C)O1 ZINC000500464015 1192622449 /nfs/dbraw/zinc/62/24/49/1192622449.db2.gz PDVNEVOTYPPMCN-CALCHBBNSA-N 2 0 394.560 0.935 20 0 GCADRP C[NH+]1CC2(C1)CCN(C(=O)c1cccc(C(=O)N3CCC4(C[NH+](C)C4)C3)c1N)C2 ZINC000614034482 1192622741 /nfs/dbraw/zinc/62/27/41/1192622741.db2.gz DCVWXHCTCBMBME-UHFFFAOYSA-N 2 0 397.523 0.824 20 0 GCADRP COCC1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000418637108 1192624290 /nfs/dbraw/zinc/62/42/90/1192624290.db2.gz JEIMIWOVGGINLA-UHFFFAOYSA-N 2 0 383.537 0.294 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418661650 1192625419 /nfs/dbraw/zinc/62/54/19/1192625419.db2.gz AUZHRKVNMXMNLZ-KYJSFNMBSA-N 2 0 395.548 0.120 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418753731 1192639597 /nfs/dbraw/zinc/63/95/97/1192639597.db2.gz AKRPBJLVLSHCFR-IBGZPJMESA-N 2 0 375.517 0.434 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418782784 1192644813 /nfs/dbraw/zinc/64/48/13/1192644813.db2.gz NPRHUEHNHLNPKO-QGZVFWFLSA-N 2 0 375.517 0.559 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000418782339 1192644829 /nfs/dbraw/zinc/64/48/29/1192644829.db2.gz NHLGTCREZKJKBO-PKOBYXMFSA-N 2 0 387.528 0.511 20 0 GCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418774633 1192642230 /nfs/dbraw/zinc/64/22/30/1192642230.db2.gz DGKOFKHAOLZPOJ-GOSISDBHSA-N 2 0 387.528 0.525 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418785578 1192643747 /nfs/dbraw/zinc/64/37/47/1192643747.db2.gz RFMNVQXUQVXMAH-GOSISDBHSA-N 2 0 387.528 0.573 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418789778 1192646354 /nfs/dbraw/zinc/64/63/54/1192646354.db2.gz WWUHHQMONGZMCS-LJQANCHMSA-N 2 0 389.544 0.805 20 0 GCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418807133 1192650193 /nfs/dbraw/zinc/65/01/93/1192650193.db2.gz PJTRAZXJPLWZLK-IRXDYDNUSA-N 2 0 380.533 0.629 20 0 GCADRP [NH3+]C1CCC(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000418814165 1192652923 /nfs/dbraw/zinc/65/29/23/1192652923.db2.gz ZPVGIPQUPJVIAS-UHFFFAOYSA-N 2 0 380.533 0.771 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[NH+](C)C)cc1 ZINC000418813681 1192653404 /nfs/dbraw/zinc/65/34/04/1192653404.db2.gz JDRHXCTYYPJSKF-XIRDDKMYSA-N 2 0 376.501 0.943 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C)cc1OC ZINC000418822147 1192655961 /nfs/dbraw/zinc/65/59/61/1192655961.db2.gz AJCLQXPCIFSNLT-LSDHHAIUSA-N 2 0 380.489 0.522 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000418824913 1192656531 /nfs/dbraw/zinc/65/65/31/1192656531.db2.gz DOSPHJJEYKWVEH-MOPGFXCFSA-N 2 0 390.528 0.835 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)[NH+](C)C)cc1OC ZINC000418827318 1192657436 /nfs/dbraw/zinc/65/74/36/1192657436.db2.gz GRDSERIGRRTSRK-YCPHGPKFSA-N 2 0 392.500 0.632 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1OC ZINC000418836573 1192658160 /nfs/dbraw/zinc/65/81/60/1192658160.db2.gz RNFZWIDDFFZABL-GJZGRUSLSA-N 2 0 378.473 0.291 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)[NH+](C)C)cc1OC ZINC000418828787 1192658278 /nfs/dbraw/zinc/65/82/78/1192658278.db2.gz ICKFOVMQTYMDHC-IMJJTQAJSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[NH+](C)C)cc1OC ZINC000418828442 1192658374 /nfs/dbraw/zinc/65/83/74/1192658374.db2.gz HYXYLLMDWQUSDJ-DZGCQCFKSA-N 2 0 378.473 0.243 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000418838679 1192662766 /nfs/dbraw/zinc/66/27/66/1192662766.db2.gz COQOGFKQPSSWIS-UHFFFAOYSA-N 2 0 387.528 0.131 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)[NH+](C)C)cc1OC ZINC000418836195 1192660876 /nfs/dbraw/zinc/66/08/76/1192660876.db2.gz QTNQPMYYCDNCGK-UKRRQHHQSA-N 2 0 378.473 0.243 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418834382 1192660973 /nfs/dbraw/zinc/66/09/73/1192660973.db2.gz ODUUUQFDTHGIJH-LSDHHAIUSA-N 2 0 378.473 0.372 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCn2cccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000418842675 1192663781 /nfs/dbraw/zinc/66/37/81/1192663781.db2.gz IVJCDPQNGQSQRV-UHFFFAOYSA-N 2 0 384.484 0.109 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000418852581 1192666519 /nfs/dbraw/zinc/66/65/19/1192666519.db2.gz REUYUWGYJOOEKV-DOTOQJQBSA-N 2 0 390.484 0.053 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000418864553 1192669698 /nfs/dbraw/zinc/66/96/98/1192669698.db2.gz QXXVTVUCJUEYDH-PKOBYXMFSA-N 2 0 387.528 0.177 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000418858758 1192670315 /nfs/dbraw/zinc/67/03/15/1192670315.db2.gz AQANVWLSXACBHW-OALUTQOASA-N 2 0 394.560 0.970 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)[NH+](C)C)c1 ZINC000418862289 1192671033 /nfs/dbraw/zinc/67/10/33/1192671033.db2.gz OAHNTHGCUNVVBW-XYPHTWIQSA-N 2 0 392.500 0.643 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])[NH+](C)C)c1 ZINC000418863306 1192671545 /nfs/dbraw/zinc/67/15/45/1192671545.db2.gz PGPXUBOCRRAXOO-NXHRZFHOSA-N 2 0 392.500 0.379 20 0 GCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418861458 1192671585 /nfs/dbraw/zinc/67/15/85/1192671585.db2.gz MWSUFGKZXPWTGN-OALUTQOASA-N 2 0 387.528 0.164 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418863329 1192671597 /nfs/dbraw/zinc/67/15/97/1192671597.db2.gz PIFPNCURUDHPNQ-FXAWDEMLSA-N 2 0 376.501 0.920 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])[NH+](C)C)c1 ZINC000418863307 1192671648 /nfs/dbraw/zinc/67/16/48/1192671648.db2.gz PGPXUBOCRRAXOO-SZMVWBNQSA-N 2 0 392.500 0.379 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418863290 1192671712 /nfs/dbraw/zinc/67/17/12/1192671712.db2.gz PGLDNOPIQWIOJG-ZVZYQTTQSA-N 2 0 376.501 0.918 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000418865340 1192672293 /nfs/dbraw/zinc/67/22/93/1192672293.db2.gz RLOVGWJJMVARRG-MSOLQXFVSA-N 2 0 387.528 0.129 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418863767 1192672375 /nfs/dbraw/zinc/67/23/75/1192672375.db2.gz PTIHIFQXRLMNQS-ROUUACIJSA-N 2 0 376.501 0.544 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418866766 1192672618 /nfs/dbraw/zinc/67/26/18/1192672618.db2.gz TUXGKFHNZBRKJW-NRFANRHFSA-N 2 0 387.528 0.118 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)[NH+](C)C)c1 ZINC000418868381 1192672638 /nfs/dbraw/zinc/67/26/38/1192672638.db2.gz VXPBBYNULQSWMQ-KDOFPFPSSA-N 2 0 376.501 1.000 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418867941 1192672783 /nfs/dbraw/zinc/67/27/83/1192672783.db2.gz VHGQTHWYPGQMHC-LJQANCHMSA-N 2 0 387.528 0.036 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418869418 1192672984 /nfs/dbraw/zinc/67/29/84/1192672984.db2.gz XDMALWIZKGGVAU-ROUUACIJSA-N 2 0 376.501 0.680 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000418869246 1192673099 /nfs/dbraw/zinc/67/30/99/1192673099.db2.gz WWJFYVJVRCECRF-QYZOEREBSA-N 2 0 390.528 0.933 20 0 GCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418867687 1192673152 /nfs/dbraw/zinc/67/31/52/1192673152.db2.gz VFVXVWWJEBBCTN-UHFFFAOYSA-N 2 0 399.539 0.346 20 0 GCADRP C[C@H]([NH2+]C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000418870391 1192673687 /nfs/dbraw/zinc/67/36/87/1192673687.db2.gz UAIAEUYWWXYVIJ-FUHWJXTLSA-N 2 0 388.512 0.871 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)c1 ZINC000418882302 1192678213 /nfs/dbraw/zinc/67/82/13/1192678213.db2.gz YQJHXMJIXDVBID-QZTJIDSGSA-N 2 0 390.484 0.053 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418884215 1192678844 /nfs/dbraw/zinc/67/88/44/1192678844.db2.gz WLNRWIQZAXVXFP-ROUUACIJSA-N 2 0 376.501 0.503 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCCO1 ZINC000418883607 1192679307 /nfs/dbraw/zinc/67/93/07/1192679307.db2.gz VGZZCEPLNQWPLB-AEFFLSMTSA-N 2 0 380.533 0.594 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418874813 1192674264 /nfs/dbraw/zinc/67/42/64/1192674264.db2.gz CJFGWAGXSHHECQ-MSOLQXFVSA-N 2 0 376.501 0.359 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418878951 1192674912 /nfs/dbraw/zinc/67/49/12/1192674912.db2.gz MOYXNOLSOBDHLL-KFKAGJAMSA-N 2 0 388.512 0.598 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000418880324 1192675742 /nfs/dbraw/zinc/67/57/42/1192675742.db2.gz VHJBKPKAKHOPEA-MSOLQXFVSA-N 2 0 390.484 0.134 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@H]1C[NH3+] ZINC000418877801 1192675933 /nfs/dbraw/zinc/67/59/33/1192675933.db2.gz KJNYNXIUWGHEKY-ATZDWAIDSA-N 2 0 388.512 0.313 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000418877919 1192676155 /nfs/dbraw/zinc/67/61/55/1192676155.db2.gz PXZSWDVHOSFTSY-RBUKOAKNSA-N 2 0 388.512 0.857 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000418914455 1192687472 /nfs/dbraw/zinc/68/74/72/1192687472.db2.gz FNEYUYMHBCHYRU-GBESFXJTSA-N 2 0 388.512 0.413 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000418929350 1192693827 /nfs/dbraw/zinc/69/38/27/1192693827.db2.gz FDCBMUBVHHWMJX-MOPGFXCFSA-N 2 0 388.512 0.762 20 0 GCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)([NH+](C)C)C1 ZINC000418927554 1192694144 /nfs/dbraw/zinc/69/41/44/1192694144.db2.gz VRAMANLFQUEXRB-UZLBHIALSA-N 2 0 382.549 0.970 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000418937413 1192694459 /nfs/dbraw/zinc/69/44/59/1192694459.db2.gz LCYXLNWRKLGSPY-RTBURBONSA-N 2 0 388.512 0.680 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000418952802 1192700641 /nfs/dbraw/zinc/70/06/41/1192700641.db2.gz KQOFFLRZGXEHRH-OALUTQOASA-N 2 0 394.560 0.909 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000418955072 1192700987 /nfs/dbraw/zinc/70/09/87/1192700987.db2.gz PFOHFJKESFTSCM-BZSNNMDCSA-N 2 0 380.533 0.504 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000418955073 1192701147 /nfs/dbraw/zinc/70/11/47/1192701147.db2.gz PFOHFJKESFTSCM-KSZLIROESA-N 2 0 380.533 0.504 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H]1C[NH3+] ZINC000418954571 1192701223 /nfs/dbraw/zinc/70/12/23/1192701223.db2.gz OILJLAYZIMNVAD-NRSFXHEJSA-N 2 0 380.533 0.456 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418956493 1192701554 /nfs/dbraw/zinc/70/15/54/1192701554.db2.gz SFZRJTBFOVBGSP-INIZCTEOSA-N 2 0 377.489 0.239 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000418955565 1192701841 /nfs/dbraw/zinc/70/18/41/1192701841.db2.gz QPONUSIMTRRALM-HOTGVXAUSA-N 2 0 377.489 0.272 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957003 1192701866 /nfs/dbraw/zinc/70/18/66/1192701866.db2.gz DAETTYUIUVAJTK-HOTGVXAUSA-N 2 0 390.484 0.215 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCCC1 ZINC000418956941 1192701911 /nfs/dbraw/zinc/70/19/11/1192701911.db2.gz SZNXOGCPJOZPBT-FHWLQOOXSA-N 2 0 394.560 0.894 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000418955566 1192701998 /nfs/dbraw/zinc/70/19/98/1192701998.db2.gz QPONUSIMTRRALM-HZPDHXFCSA-N 2 0 377.489 0.272 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCCC1 ZINC000418959464 1192702637 /nfs/dbraw/zinc/70/26/37/1192702637.db2.gz ZYXKEBOZNFBGAV-DLBZAZTESA-N 2 0 380.533 0.648 20 0 GCADRP [NH3+]CC1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000418961528 1192702837 /nfs/dbraw/zinc/70/28/37/1192702837.db2.gz KDSZWPFLDVANRU-UHFFFAOYSA-N 2 0 388.512 0.975 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000418964645 1192704621 /nfs/dbraw/zinc/70/46/21/1192704621.db2.gz NKSVBYNCVLOEJX-QFBILLFUSA-N 2 0 388.512 0.973 20 0 GCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000418985241 1192709469 /nfs/dbraw/zinc/70/94/69/1192709469.db2.gz MTNFEGSRYVLOTG-JCGIZDLHSA-N 2 0 376.476 0.927 20 0 GCADRP [NH3+]CCN(CCO)C(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000419001367 1192713043 /nfs/dbraw/zinc/71/30/43/1192713043.db2.gz ARWBUMITHQSXTH-UHFFFAOYSA-N 2 0 382.892 0.200 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000418995488 1192713086 /nfs/dbraw/zinc/71/30/86/1192713086.db2.gz JBDPJTZDCKQEQA-MOPGFXCFSA-N 2 0 394.560 0.970 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000419006227 1192715904 /nfs/dbraw/zinc/71/59/04/1192715904.db2.gz HMAFJTYWQLHQQS-KRWDZBQOSA-N 2 0 394.903 0.607 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])c1 ZINC000419013272 1192718072 /nfs/dbraw/zinc/71/80/72/1192718072.db2.gz ATKKKCLUNJVNTJ-ROUUACIJSA-N 2 0 376.501 0.719 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419025640 1192727702 /nfs/dbraw/zinc/72/77/02/1192727702.db2.gz MLULUPOHFXPVNS-YYIAUSFCSA-N 2 0 382.549 0.824 20 0 GCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419032085 1192731158 /nfs/dbraw/zinc/73/11/58/1192731158.db2.gz VYNRFFWJGGIZTA-ZACQAIPSSA-N 2 0 382.549 0.825 20 0 GCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419030519 1192732590 /nfs/dbraw/zinc/73/25/90/1192732590.db2.gz HRWLWLXZGVWDNA-MRXNPFEDSA-N 2 0 382.574 0.970 20 0 GCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410591557 1192735966 /nfs/dbraw/zinc/73/59/66/1192735966.db2.gz WDWLTHVPHJOFDX-KZNAEPCWSA-N 2 0 378.517 0.252 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCO1 ZINC000419039866 1192737572 /nfs/dbraw/zinc/73/75/72/1192737572.db2.gz VVJNMNAOOFKMBE-MRXNPFEDSA-N 2 0 398.573 0.431 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)[C@H](C)C1 ZINC000419044360 1192737828 /nfs/dbraw/zinc/73/78/28/1192737828.db2.gz TWPKGAIIFXAXQC-BDXSIMOUSA-N 2 0 382.549 0.825 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419044393 1192738102 /nfs/dbraw/zinc/73/81/02/1192738102.db2.gz PTLYAGKIKCDDBN-ZBFHGGJFSA-N 2 0 384.521 0.221 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@H](C)C1 ZINC000419045052 1192741960 /nfs/dbraw/zinc/74/19/60/1192741960.db2.gz VNELYUUDEICUIJ-BCYZHJNNSA-N 2 0 394.560 0.825 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419054134 1192747857 /nfs/dbraw/zinc/74/78/57/1192747857.db2.gz GYBZHVUPKHXXNV-KBAYOESNSA-N 2 0 376.501 0.445 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419051135 1192748896 /nfs/dbraw/zinc/74/88/96/1192748896.db2.gz AVMJMPAYKVTESR-GUDVDZBRSA-N 2 0 388.512 0.508 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419050640 1192749344 /nfs/dbraw/zinc/74/93/44/1192749344.db2.gz AFBCVYREAPNAAC-IAGOWNOFSA-N 2 0 376.501 0.493 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419052459 1192750085 /nfs/dbraw/zinc/75/00/85/1192750085.db2.gz DFFBCDWQJVMCGX-CEXWTWQISA-N 2 0 390.528 0.739 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000237835299 1192765278 /nfs/dbraw/zinc/76/52/78/1192765278.db2.gz XMKDFEMHDQFBEA-CTNGQTDRSA-N 2 0 397.523 0.982 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000419074760 1192773099 /nfs/dbraw/zinc/77/30/99/1192773099.db2.gz MGSQYRUIKYCWOQ-ROUUACIJSA-N 2 0 392.500 0.299 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000419081724 1192778047 /nfs/dbraw/zinc/77/80/47/1192778047.db2.gz ORMMYZGVOMYHIR-QZTJIDSGSA-N 2 0 392.500 0.380 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000500783971 1192787645 /nfs/dbraw/zinc/78/76/45/1192787645.db2.gz XPCZGIAZBQDXKQ-DLBZAZTESA-N 2 0 380.533 0.471 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000419108573 1192789411 /nfs/dbraw/zinc/78/94/11/1192789411.db2.gz QKMDXTDXIJJPKC-SFHVURJKSA-N 2 0 388.512 0.640 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419102756 1192791563 /nfs/dbraw/zinc/79/15/63/1192791563.db2.gz JJHNUDGBLHPXKE-KRWDZBQOSA-N 2 0 376.501 0.183 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)N1CC[NH+](C)CC1 ZINC000419122430 1192794679 /nfs/dbraw/zinc/79/46/79/1192794679.db2.gz FZTLGTROGJRMKK-IAGOWNOFSA-N 2 0 381.565 0.269 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H]1C[NH3+] ZINC000419122965 1192795569 /nfs/dbraw/zinc/79/55/69/1192795569.db2.gz XLYLJXODQMSUGT-WBVHZDCISA-N 2 0 388.516 0.035 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)[C@H](C[NH3+])C1 ZINC000419123909 1192796236 /nfs/dbraw/zinc/79/62/36/1192796236.db2.gz HJCLMVFSSBSJLE-KSZLIROESA-N 2 0 382.549 0.968 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419125046 1192796737 /nfs/dbraw/zinc/79/67/37/1192796737.db2.gz YSIGBSJVWGWXOJ-GOEBONIOSA-N 2 0 389.500 0.917 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419114722 1192800959 /nfs/dbraw/zinc/80/09/59/1192800959.db2.gz SIGUHFKXZVTEDG-KBAYOESNSA-N 2 0 376.501 0.588 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000419130953 1192805447 /nfs/dbraw/zinc/80/54/47/1192805447.db2.gz BPEOSGGIBYOGCH-JCGIZDLHSA-N 2 0 376.501 0.713 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000419131194 1192805691 /nfs/dbraw/zinc/80/56/91/1192805691.db2.gz GHUIZTDZBMEYIR-OAHLLOKOSA-N 2 0 376.501 0.829 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419131505 1192805713 /nfs/dbraw/zinc/80/57/13/1192805713.db2.gz AGXFFFHPFNOSOI-AEFFLSMTSA-N 2 0 376.501 0.508 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)(C)C ZINC000419131843 1192806420 /nfs/dbraw/zinc/80/64/20/1192806420.db2.gz HAFZNYWBPJTKFO-HZPDHXFCSA-N 2 0 393.536 0.383 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419132275 1192806501 /nfs/dbraw/zinc/80/65/01/1192806501.db2.gz DWEUPWOSKJTOEY-WBVHZDCISA-N 2 0 376.501 0.829 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419132272 1192806573 /nfs/dbraw/zinc/80/65/73/1192806573.db2.gz DWEUPWOSKJTOEY-DOTOQJQBSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419144943 1192814719 /nfs/dbraw/zinc/81/47/19/1192814719.db2.gz HDUCRHPBSOCQEY-MRRJBJDNSA-N 2 0 382.455 0.983 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419145766 1192815099 /nfs/dbraw/zinc/81/50/99/1192815099.db2.gz HTQKHPDFKDNVNR-INIZCTEOSA-N 2 0 376.501 0.831 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000419145771 1192815132 /nfs/dbraw/zinc/81/51/32/1192815132.db2.gz HTYFZOKWKOZMND-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419147569 1192815353 /nfs/dbraw/zinc/81/53/53/1192815353.db2.gz JACDTJVRNUTAAW-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419157819 1192817902 /nfs/dbraw/zinc/81/79/02/1192817902.db2.gz WSAWLOOEDFFHSC-INIZCTEOSA-N 2 0 376.501 0.749 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159191 1192818215 /nfs/dbraw/zinc/81/82/15/1192818215.db2.gz YZLOTUVUQZIZNA-GDBMZVCRSA-N 2 0 392.500 0.472 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419164864 1192822899 /nfs/dbraw/zinc/82/28/99/1192822899.db2.gz ZOWPBFGWGVVGRK-OALUTQOASA-N 2 0 388.512 0.824 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)[NH+]1CCC(C)CC1 ZINC000419160344 1192818972 /nfs/dbraw/zinc/81/89/72/1192818972.db2.gz PSPYZJOGRIMVPY-QRQLOZEOSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161878 1192820431 /nfs/dbraw/zinc/82/04/31/1192820431.db2.gz FLYOSSSQSQOQRU-NEWSRXKRSA-N 2 0 388.512 0.650 20 0 GCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000419162278 1192820631 /nfs/dbraw/zinc/82/06/31/1192820631.db2.gz UDVUCGMJLLMOFD-ZWKOTPCHSA-N 2 0 376.476 0.927 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419161667 1192820811 /nfs/dbraw/zinc/82/08/11/1192820811.db2.gz FAUFSADPXUNKHF-MOPGFXCFSA-N 2 0 388.512 0.604 20 0 GCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419165302 1192822322 /nfs/dbraw/zinc/82/23/22/1192822322.db2.gz NILSWADMZLPTFD-MJGOQNOKSA-N 2 0 388.512 0.510 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)[NH2+]1 ZINC000419166088 1192822351 /nfs/dbraw/zinc/82/23/51/1192822351.db2.gz OFOPWQVMZFHZKP-ZHALLVOQSA-N 2 0 388.512 0.603 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCC(C)CC1 ZINC000419156276 1192824340 /nfs/dbraw/zinc/82/43/40/1192824340.db2.gz JDWWCAOQHZNGOY-WBVHZDCISA-N 2 0 391.520 0.137 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419156410 1192824410 /nfs/dbraw/zinc/82/44/10/1192824410.db2.gz VCCSPDYCNAMCGO-BZSNNMDCSA-N 2 0 388.512 0.829 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419169671 1192824646 /nfs/dbraw/zinc/82/46/46/1192824646.db2.gz VALZIDQFFPTVHT-ROUUACIJSA-N 2 0 376.501 0.493 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419169670 1192825140 /nfs/dbraw/zinc/82/51/40/1192825140.db2.gz VALZIDQFFPTVHT-QZTJIDSGSA-N 2 0 376.501 0.493 20 0 GCADRP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000419171178 1192825595 /nfs/dbraw/zinc/82/55/95/1192825595.db2.gz XEIDPIWNIIXEPS-LJQANCHMSA-N 2 0 388.512 0.591 20 0 GCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419167985 1192829684 /nfs/dbraw/zinc/82/96/84/1192829684.db2.gz RFIUOXIMFNAYCR-MOPGFXCFSA-N 2 0 388.512 0.652 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000419196457 1192832561 /nfs/dbraw/zinc/83/25/61/1192832561.db2.gz BAZMYLTUHJTLMA-UHFFFAOYSA-N 2 0 388.512 0.845 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000419196408 1192832864 /nfs/dbraw/zinc/83/28/64/1192832864.db2.gz AVZRCDBYDVUVEX-YTQUADARSA-N 2 0 388.512 0.829 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419196005 1192832967 /nfs/dbraw/zinc/83/29/67/1192832967.db2.gz AEFWIUKVPMTHDX-QFBILLFUSA-N 2 0 388.512 0.782 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000419196020 1192833089 /nfs/dbraw/zinc/83/30/89/1192833089.db2.gz AGWKSLIEDLBJJT-VQIMIIECSA-N 2 0 388.512 0.639 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181051 1192833867 /nfs/dbraw/zinc/83/38/67/1192833867.db2.gz KLOLVNHWCZUCRF-ROUUACIJSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419197166 1192837222 /nfs/dbraw/zinc/83/72/22/1192837222.db2.gz XSOJDGXLBFSLAH-QFBILLFUSA-N 2 0 388.512 0.863 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000419200381 1192838365 /nfs/dbraw/zinc/83/83/65/1192838365.db2.gz FFOBDHHVQPCVKE-FUHWJXTLSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc2)C[C@@H](C)O1 ZINC000419199032 1192838915 /nfs/dbraw/zinc/83/89/15/1192838915.db2.gz DJMORSQANGPBNR-HUUCEWRRSA-N 2 0 376.501 0.766 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000419200405 1192840158 /nfs/dbraw/zinc/84/01/58/1192840158.db2.gz FGQYGOWWEVWSRK-IAGOWNOFSA-N 2 0 388.512 0.734 20 0 GCADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419203127 1192840726 /nfs/dbraw/zinc/84/07/26/1192840726.db2.gz HKVXVVYIAFYACN-LJQANCHMSA-N 2 0 388.512 0.783 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000419203106 1192840737 /nfs/dbraw/zinc/84/07/37/1192840737.db2.gz HLYSOXJUYQMOJB-RDJZCZTQSA-N 2 0 376.501 0.687 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000419203105 1192840846 /nfs/dbraw/zinc/84/08/46/1192840846.db2.gz HLYSOXJUYQMOJB-NVXWUHKLSA-N 2 0 376.501 0.687 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)cc2)C[C@H](C)O1 ZINC000419201199 1192842331 /nfs/dbraw/zinc/84/23/31/1192842331.db2.gz FXHPTEMJZGJXEK-HOTGVXAUSA-N 2 0 388.512 0.910 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419201700 1192843141 /nfs/dbraw/zinc/84/31/41/1192843141.db2.gz FZALWWJSHBSYOI-MAUKXSAKSA-N 2 0 376.501 0.972 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419201699 1192843201 /nfs/dbraw/zinc/84/32/01/1192843201.db2.gz FZALWWJSHBSYOI-CRAIPNDOSA-N 2 0 376.501 0.972 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000419201773 1192843369 /nfs/dbraw/zinc/84/33/69/1192843369.db2.gz GJPVAZRBBWEBQF-GPMSIDNRSA-N 2 0 388.512 0.780 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])ccn2)CC1 ZINC000419204594 1192845695 /nfs/dbraw/zinc/84/56/95/1192845695.db2.gz JGEJKYUEQJEZLI-IRXDYDNUSA-N 2 0 388.516 0.083 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NCc2ccccc2OCCN2CCOCC2)C[C@@H]1O ZINC000663849031 1192849688 /nfs/dbraw/zinc/84/96/88/1192849688.db2.gz DNCULNOXFXOQPO-ROUUACIJSA-N 2 0 392.500 0.214 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419205572 1192852017 /nfs/dbraw/zinc/85/20/17/1192852017.db2.gz JGUMATPUNZCJSF-RYQLBKOJSA-N 2 0 388.512 0.996 20 0 GCADRP CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@H+](C)CC1 ZINC000893740870 1192846795 /nfs/dbraw/zinc/84/67/95/1192846795.db2.gz MHPIDIATJWGCES-RBUKOAKNSA-N 2 0 381.565 0.643 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000419204118 1192846957 /nfs/dbraw/zinc/84/69/57/1192846957.db2.gz IEMYFTMKCNNPGL-QXAKKESOSA-N 2 0 388.512 0.829 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410724706 1192854112 /nfs/dbraw/zinc/85/41/12/1192854112.db2.gz LNUUXRDLVPHCSX-IKGGRYGDSA-N 2 0 382.549 0.621 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419205219 1192854982 /nfs/dbraw/zinc/85/49/82/1192854982.db2.gz JLIODDUMRBSXIL-HZPDHXFCSA-N 2 0 376.501 0.638 20 0 GCADRP C[NH+]1CC[C@@]2(CCN(c3nc(C(N)=O)cc(N4CC[C@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC000893964769 1192884834 /nfs/dbraw/zinc/88/48/34/1192884834.db2.gz USPLXJJIEKTCHG-LEWJYISDSA-N 2 0 399.543 0.640 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419209903 1192895305 /nfs/dbraw/zinc/89/53/05/1192895305.db2.gz XDFIIDAWNIZZBJ-BHIYHBOVSA-N 2 0 390.528 0.978 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)ccn2)CC1 ZINC000419211271 1192896560 /nfs/dbraw/zinc/89/65/60/1192896560.db2.gz WTSXFLKICMFBHS-QGZVFWFLSA-N 2 0 388.516 0.083 20 0 GCADRP CCCN(C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000419212538 1192900222 /nfs/dbraw/zinc/90/02/22/1192900222.db2.gz KLRZDFSTBQCRTQ-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)CC2)CCO1 ZINC000410779712 1192901305 /nfs/dbraw/zinc/90/13/05/1192901305.db2.gz MDJPNSXXNDVWMC-ZHALLVOQSA-N 2 0 392.544 0.641 20 0 GCADRP C[C@H](NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419213170 1192903430 /nfs/dbraw/zinc/90/34/30/1192903430.db2.gz LCIZBRRHLMWDND-DOTOQJQBSA-N 2 0 376.501 0.748 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000419214464 1192905144 /nfs/dbraw/zinc/90/51/44/1192905144.db2.gz MPGJAZJJDKLLGF-NVXWUHKLSA-N 2 0 376.501 0.748 20 0 GCADRP CC(=O)NC[C@H]1CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000332854646 1192905926 /nfs/dbraw/zinc/90/59/26/1192905926.db2.gz CASRHVPTWAUIRD-SFHVURJKSA-N 2 0 381.521 0.092 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000419213980 1192907216 /nfs/dbraw/zinc/90/72/16/1192907216.db2.gz LWZKAOUSCAEMGM-FCEWJHQRSA-N 2 0 388.512 0.732 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000419214069 1192907260 /nfs/dbraw/zinc/90/72/60/1192907260.db2.gz MEWWFBRPXUSVRQ-AEFFLSMTSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419214129 1192907649 /nfs/dbraw/zinc/90/76/49/1192907649.db2.gz MJGUIOWCPNTWFO-RDJZCZTQSA-N 2 0 376.501 0.829 20 0 GCADRP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000410972646 1192921537 /nfs/dbraw/zinc/92/15/37/1192921537.db2.gz HREYDHPJDGJVIO-IRXDYDNUSA-N 2 0 380.533 0.356 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419217751 1192919049 /nfs/dbraw/zinc/91/90/49/1192919049.db2.gz QVPFFZBAGQDEFW-MRXNPFEDSA-N 2 0 376.501 0.314 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000579714610 1184103154 /nfs/dbraw/zinc/10/31/54/1184103154.db2.gz HBKPYJQSKAUMAO-HUUCEWRRSA-N 2 0 380.514 0.984 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC000654730177 1184109924 /nfs/dbraw/zinc/10/99/24/1184109924.db2.gz MNONUMVAQYVSNR-RCCFBDPRSA-N 2 0 377.533 0.951 20 0 GCADRP CC(C)[C@@H]1CN(C(=O)COCC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC[NH+]1C ZINC000683120090 1184134009 /nfs/dbraw/zinc/13/40/09/1184134009.db2.gz BQEAHXVQVJRHAE-ROUUACIJSA-N 2 0 382.549 0.600 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654799674 1184144847 /nfs/dbraw/zinc/14/48/47/1184144847.db2.gz UILJOXMSGKZJAU-MOPGFXCFSA-N 2 0 396.601 0.727 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000643544146 1184153183 /nfs/dbraw/zinc/15/31/83/1184153183.db2.gz PWTNCMHYINTUCU-MSOLQXFVSA-N 2 0 391.560 0.071 20 0 GCADRP CC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC[C@@H]1[NH3+] ZINC000643544104 1184153245 /nfs/dbraw/zinc/15/32/45/1184153245.db2.gz HXNLGAMQDIBQIY-HKUYNNGSSA-N 2 0 393.576 0.589 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H](C[NH+](C)C)C3)cn2)CC1 ZINC000117031140 1184238515 /nfs/dbraw/zinc/23/85/15/1184238515.db2.gz QFTPVFUMKCFRCI-GOSISDBHSA-N 2 0 390.532 0.696 20 0 GCADRP COC[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000655017988 1184247949 /nfs/dbraw/zinc/24/79/49/1184247949.db2.gz RXTFVLSGXCJACN-INIZCTEOSA-N 2 0 382.549 0.698 20 0 GCADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000579814682 1184248040 /nfs/dbraw/zinc/24/80/40/1184248040.db2.gz FIOGJGAUJBZUNL-GOSISDBHSA-N 2 0 387.528 0.512 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000579814724 1184248072 /nfs/dbraw/zinc/24/80/72/1184248072.db2.gz IYKFYWYYNGCTHA-CALCHBBNSA-N 2 0 379.549 0.119 20 0 GCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418799519 1184254643 /nfs/dbraw/zinc/25/46/43/1184254643.db2.gz IDDRIXGLPOPSOJ-DLBZAZTESA-N 2 0 380.533 0.771 20 0 GCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000643576918 1184256209 /nfs/dbraw/zinc/25/62/09/1184256209.db2.gz LVONKFDDHKEKQR-OALUTQOASA-N 2 0 387.528 0.068 20 0 GCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418839132 1184258660 /nfs/dbraw/zinc/25/86/60/1184258660.db2.gz DBUQYGCHSAMXQN-RBUKOAKNSA-N 2 0 387.528 0.307 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000643592485 1184288631 /nfs/dbraw/zinc/28/86/31/1184288631.db2.gz OZPCUBNLNDQQSW-GOSISDBHSA-N 2 0 398.548 0.029 20 0 GCADRP CC(C)[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000109166234 1184330789 /nfs/dbraw/zinc/33/07/89/1184330789.db2.gz UNHYPDYNKLGBRR-OALUTQOASA-N 2 0 383.581 0.650 20 0 GCADRP CCCN1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2C1 ZINC000579854435 1184340947 /nfs/dbraw/zinc/34/09/47/1184340947.db2.gz YXCGCTYBCOOBEJ-HOCLYGCPSA-N 2 0 385.468 0.121 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)[C@H]2C1 ZINC000579883223 1184499963 /nfs/dbraw/zinc/49/99/63/1184499963.db2.gz VLEUNFVAOGXBBX-OQIJWPOYSA-N 2 0 392.544 0.423 20 0 GCADRP CN(C)c1noc(CCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000275251949 1184567421 /nfs/dbraw/zinc/56/74/21/1184567421.db2.gz HEFMOSSQHKPSAX-UHFFFAOYSA-N 2 0 387.488 0.792 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419171792 1184572225 /nfs/dbraw/zinc/57/22/25/1184572225.db2.gz YFYYHOPCOBYFFD-GUDVDZBRSA-N 2 0 388.512 0.780 20 0 GCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]1C2 ZINC001167228392 1184648622 /nfs/dbraw/zinc/64/86/22/1184648622.db2.gz GIJMPNIRMGJFIO-VMWDTQKESA-N 2 0 377.876 0.611 20 0 GCADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]1C2 ZINC001167230067 1184649624 /nfs/dbraw/zinc/64/96/24/1184649624.db2.gz YZTATOYOTSQUNX-ASKKUZCQSA-N 2 0 386.500 0.063 20 0 GCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000275407584 1184655940 /nfs/dbraw/zinc/65/59/40/1184655940.db2.gz CLZXFJKKDLPIJO-UZLBHIALSA-N 2 0 375.517 0.982 20 0 GCADRP Cn1cnn(-c2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)c1=O ZINC000120329064 1184669252 /nfs/dbraw/zinc/66/92/52/1184669252.db2.gz LMGPLTOHXYTKQA-UHFFFAOYSA-N 2 0 375.477 0.528 20 0 GCADRP CC(CC(=O)N[C@H](C)[C@@H]1CN(C)CCO1)CC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000683449627 1184735223 /nfs/dbraw/zinc/73/52/23/1184735223.db2.gz OURULGDTYBBGHD-BDXSIMOUSA-N 2 0 398.548 0.073 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000642729093 1184757752 /nfs/dbraw/zinc/75/77/52/1184757752.db2.gz FLHQAHYWIGJBJP-UHOSZYNNSA-N 2 0 387.528 0.115 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176261626 1184767850 /nfs/dbraw/zinc/76/78/50/1184767850.db2.gz DEWBOQNVEOWWNG-ZWKOTPCHSA-N 2 0 380.533 0.851 20 0 GCADRP CC[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000642731530 1184815742 /nfs/dbraw/zinc/81/57/42/1184815742.db2.gz ZOIMTZRFNYCVTI-LZQZEXGQSA-N 2 0 388.512 0.514 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCCO1 ZINC000642733060 1184818537 /nfs/dbraw/zinc/81/85/37/1184818537.db2.gz WRYJCDCXOAGZRC-RTBURBONSA-N 2 0 388.512 0.906 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000642732975 1184819298 /nfs/dbraw/zinc/81/92/98/1184819298.db2.gz LYILJHAKHKMXAZ-OTWHNJEPSA-N 2 0 387.528 0.477 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419214112 1184822939 /nfs/dbraw/zinc/82/29/39/1184822939.db2.gz MHHCXUWTVLPZKT-HOTGVXAUSA-N 2 0 376.501 0.590 20 0 GCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837573 1184838504 /nfs/dbraw/zinc/83/85/04/1184838504.db2.gz VMTZWQZDZHJORJ-IRXDYDNUSA-N 2 0 389.500 0.203 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000419299354 1184999840 /nfs/dbraw/zinc/99/98/40/1184999840.db2.gz JQSDFRGJBMOYFZ-HNNXBMFYSA-N 2 0 393.507 0.823 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000656103607 1185029966 /nfs/dbraw/zinc/02/99/66/1185029966.db2.gz ACOHSRWKQSCBKZ-SJORKVTESA-N 2 0 380.533 0.674 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000656104313 1185030345 /nfs/dbraw/zinc/03/03/45/1185030345.db2.gz NJQWUXDBEHNKNU-INIZCTEOSA-N 2 0 391.520 0.233 20 0 GCADRP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000580173509 1185104324 /nfs/dbraw/zinc/10/43/24/1185104324.db2.gz JQCIWZKKDKOIOY-MRXNPFEDSA-N 2 0 377.533 0.857 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580172931 1185104849 /nfs/dbraw/zinc/10/48/49/1185104849.db2.gz MQMONIICODGBLH-OALUTQOASA-N 2 0 375.517 0.480 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000580324468 1185163428 /nfs/dbraw/zinc/16/34/28/1185163428.db2.gz UONFKQJCGJOFTL-LSDHHAIUSA-N 2 0 378.439 0.582 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000580354454 1185196545 /nfs/dbraw/zinc/19/65/45/1185196545.db2.gz DXLKCMMDLLLCFZ-MSOLQXFVSA-N 2 0 380.533 0.690 20 0 GCADRP Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000580466767 1185239547 /nfs/dbraw/zinc/23/95/47/1185239547.db2.gz MGEDRQHDZCVYFP-GJZGRUSLSA-N 2 0 375.473 0.711 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000580477453 1185246421 /nfs/dbraw/zinc/24/64/21/1185246421.db2.gz OVWHTZRMRRNNPO-HKUYNNGSSA-N 2 0 390.528 0.850 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCC[NH2+]CCOC)c2)CC1 ZINC000275902688 1185260179 /nfs/dbraw/zinc/26/01/79/1185260179.db2.gz PIAAMJFRTMKKNV-UHFFFAOYSA-N 2 0 391.516 0.509 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000419348049 1185271324 /nfs/dbraw/zinc/27/13/24/1185271324.db2.gz XJSRRMGAILWLHF-UHFFFAOYSA-N 2 0 375.517 0.118 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N(C)CC[NH2+]C)cc2)CC1 ZINC000419348659 1185272230 /nfs/dbraw/zinc/27/22/30/1185272230.db2.gz XVQFYBZDFJUMQQ-UHFFFAOYSA-N 2 0 375.517 0.118 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ncoc1-c1ccccc1 ZINC000580602852 1185286483 /nfs/dbraw/zinc/28/64/83/1185286483.db2.gz GEHIYLCKIMJQLJ-UHFFFAOYSA-N 2 0 387.484 0.910 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000580737290 1185320416 /nfs/dbraw/zinc/32/04/16/1185320416.db2.gz PMCAXUQLCVLVFL-RBUKOAKNSA-N 2 0 394.560 0.813 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000656287074 1185325333 /nfs/dbraw/zinc/32/53/33/1185325333.db2.gz XYGMQOAKUKBORX-QGZVFWFLSA-N 2 0 382.549 0.792 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656296550 1185356328 /nfs/dbraw/zinc/35/63/28/1185356328.db2.gz LCGWNAKYGFVVQR-ROUUACIJSA-N 2 0 379.549 0.263 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000656299816 1185364858 /nfs/dbraw/zinc/36/48/58/1185364858.db2.gz CJDPCKCBSXWCSS-SFHVURJKSA-N 2 0 395.592 0.709 20 0 GCADRP C[C@@H](O)CN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000656305899 1185380190 /nfs/dbraw/zinc/38/01/90/1185380190.db2.gz DBHPBDNRBXHCEM-MRXNPFEDSA-N 2 0 389.500 0.082 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000656306890 1185381530 /nfs/dbraw/zinc/38/15/30/1185381530.db2.gz KQYLDXDVZPTQAK-INIZCTEOSA-N 2 0 395.548 0.023 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400647 /nfs/dbraw/zinc/40/06/47/1185400647.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 2 0 391.560 0.404 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000656316955 1185402973 /nfs/dbraw/zinc/40/29/73/1185402973.db2.gz AXFXQWSEDYIQCL-DLBZAZTESA-N 2 0 379.549 0.262 20 0 GCADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000580915506 1185417307 /nfs/dbraw/zinc/41/73/07/1185417307.db2.gz WVVLFFLEOCXXQC-QGZVFWFLSA-N 2 0 375.517 0.381 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337538 1185434041 /nfs/dbraw/zinc/43/40/41/1185434041.db2.gz UNMGXNQVTGSWPL-NXOAAHMSSA-N 2 0 382.549 0.837 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580958228 1185447156 /nfs/dbraw/zinc/44/71/56/1185447156.db2.gz XYRSDPRJWQZFPM-PMACEKPBSA-N 2 0 382.512 0.307 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656357590 1185459676 /nfs/dbraw/zinc/45/96/76/1185459676.db2.gz ZOLOSOBLRYEAPV-QZTJIDSGSA-N 2 0 379.549 0.215 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnccc1OC ZINC000276010364 1185460381 /nfs/dbraw/zinc/46/03/81/1185460381.db2.gz LYENAKNWSVXUPH-HNNXBMFYSA-N 2 0 377.489 0.903 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891356495 1185470828 /nfs/dbraw/zinc/47/08/28/1185470828.db2.gz KVFDNMKTJCJZGY-SFHVURJKSA-N 2 0 381.565 0.862 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000581062210 1185480186 /nfs/dbraw/zinc/48/01/86/1185480186.db2.gz OKDPLHOFEHZFLT-AABGKKOBSA-N 2 0 399.539 0.444 20 0 GCADRP CN(C(=O)CC1CC[NH2+]CC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152469 1185503634 /nfs/dbraw/zinc/50/36/34/1185503634.db2.gz MPILBBKXTCAOPG-UHFFFAOYSA-N 3 0 379.549 0.073 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133162 1185510008 /nfs/dbraw/zinc/51/00/08/1185510008.db2.gz ZDEHFEBDGNRYBH-ROUUACIJSA-N 3 0 375.517 0.192 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1OC ZINC000276039343 1185516218 /nfs/dbraw/zinc/51/62/18/1185516218.db2.gz PCZNEOKDZSZDST-OAHLLOKOSA-N 2 0 377.489 0.903 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C[NH2+]CCCO3)cn2)CC1 ZINC000581180137 1185525129 /nfs/dbraw/zinc/52/51/29/1185525129.db2.gz MEMUPMRAWDQAQM-QGZVFWFLSA-N 2 0 376.505 0.401 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000581183034 1185526241 /nfs/dbraw/zinc/52/62/41/1185526241.db2.gz NWNPDQVSRGAGBS-RNJTYBCJSA-N 2 0 378.517 0.079 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581254594 1185557305 /nfs/dbraw/zinc/55/73/05/1185557305.db2.gz NZYROMSZTWKXQH-YESZJQIVSA-N 2 0 379.549 0.105 20 0 GCADRP CCc1nn(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000276094862 1185567565 /nfs/dbraw/zinc/56/75/65/1185567565.db2.gz VVAJPWWRBSVJEI-HNNXBMFYSA-N 2 0 378.521 0.796 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000581299703 1185574534 /nfs/dbraw/zinc/57/45/34/1185574534.db2.gz XVZIWTUFZJSVDS-QZTJIDSGSA-N 2 0 395.548 0.197 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581313515 1185585885 /nfs/dbraw/zinc/58/58/85/1185585885.db2.gz IRMHWWRZWMJFCU-XIRDDKMYSA-N 2 0 398.515 0.071 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430562673 1185606034 /nfs/dbraw/zinc/60/60/34/1185606034.db2.gz SBLMJXUJPNWZCS-SFHVURJKSA-N 2 0 396.557 0.825 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430568862 1185618581 /nfs/dbraw/zinc/61/85/81/1185618581.db2.gz KVOMCQFLCCVXOV-MRXNPFEDSA-N 2 0 376.505 0.344 20 0 GCADRP [NH3+]CCCOC1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000430586714 1185645433 /nfs/dbraw/zinc/64/54/33/1185645433.db2.gz XFLJRWPBBHLTHM-UHFFFAOYSA-N 2 0 375.517 0.950 20 0 GCADRP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCCC1 ZINC000891393686 1185681448 /nfs/dbraw/zinc/68/14/48/1185681448.db2.gz BRLISKMVCYLAJV-TWMKSMIVSA-N 2 0 379.505 0.685 20 0 GCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000581434306 1185688524 /nfs/dbraw/zinc/68/85/24/1185688524.db2.gz QRJLSWLGFZLGRV-OAQYLSRUSA-N 3 0 376.545 0.917 20 0 GCADRP [NH3+]CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000430605010 1185694465 /nfs/dbraw/zinc/69/44/65/1185694465.db2.gz RXIHIHYAZQWKIU-UHFFFAOYSA-N 2 0 380.514 0.190 20 0 GCADRP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430603268 1185695081 /nfs/dbraw/zinc/69/50/81/1185695081.db2.gz JPOSRSYOFOUHFB-GOSISDBHSA-N 2 0 390.528 0.928 20 0 GCADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606007 1185700145 /nfs/dbraw/zinc/70/01/45/1185700145.db2.gz VEVDTSRTINSEKG-HOCLYGCPSA-N 2 0 394.491 0.968 20 0 GCADRP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430605237 1185701481 /nfs/dbraw/zinc/70/14/81/1185701481.db2.gz QEQQBLLFOTUPSM-GOSISDBHSA-N 2 0 376.501 0.626 20 0 GCADRP Cc1csc2nc(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cc(=O)n12 ZINC000430608440 1185743145 /nfs/dbraw/zinc/74/31/45/1185743145.db2.gz FJNYOEXTZAOHRK-AWEZNQCLSA-N 2 0 375.498 0.708 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430609431 1185752600 /nfs/dbraw/zinc/75/26/00/1185752600.db2.gz HUEUGMTYMOBVPH-INIZCTEOSA-N 2 0 391.491 0.261 20 0 GCADRP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609197 1185752996 /nfs/dbraw/zinc/75/29/96/1185752996.db2.gz HICWRZVLBXDUQD-QGZVFWFLSA-N 2 0 376.501 0.626 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430609437 1185753015 /nfs/dbraw/zinc/75/30/15/1185753015.db2.gz HUEUGMTYMOBVPH-MRXNPFEDSA-N 2 0 391.491 0.261 20 0 GCADRP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430612705 1185766320 /nfs/dbraw/zinc/76/63/20/1185766320.db2.gz SGZYUFXFXZISIK-KRWDZBQOSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000533817473 1185767286 /nfs/dbraw/zinc/76/72/86/1185767286.db2.gz UKSOQVKAUDIATE-PURYLZLUSA-N 2 0 394.585 0.917 20 0 GCADRP [NH3+]C1(CNC(=O)CN2CCCS2(=O)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000581602256 1185782961 /nfs/dbraw/zinc/78/29/61/1185782961.db2.gz WHPIFVZMAXVIPQ-UHFFFAOYSA-N 2 0 380.514 0.132 20 0 GCADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1OC ZINC000430617401 1185788906 /nfs/dbraw/zinc/78/89/06/1185788906.db2.gz MJJSXDPQFKZXPD-INIZCTEOSA-N 2 0 392.500 0.449 20 0 GCADRP O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000430620713 1185795588 /nfs/dbraw/zinc/79/55/88/1185795588.db2.gz BNANDJURKRLTNY-INIZCTEOSA-N 2 0 387.484 0.869 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430627220 1185813567 /nfs/dbraw/zinc/81/35/67/1185813567.db2.gz MTNKPJYPWOBKEY-CQSZACIVSA-N 2 0 382.892 0.622 20 0 GCADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633001 1185821701 /nfs/dbraw/zinc/82/17/01/1185821701.db2.gz ZTPLXYKSEWZCHR-BZUAXINKSA-N 2 0 390.484 0.118 20 0 GCADRP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCC(C)CC1 ZINC000891446099 1185826127 /nfs/dbraw/zinc/82/61/27/1185826127.db2.gz LXEKPQGAHYFLBH-TWMKSMIVSA-N 2 0 379.505 0.683 20 0 GCADRP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430642395 1185854651 /nfs/dbraw/zinc/85/46/51/1185854651.db2.gz KECOPALFPDDIKA-WMZOPIPTSA-N 2 0 386.496 0.944 20 0 GCADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645834 1185858851 /nfs/dbraw/zinc/85/88/51/1185858851.db2.gz ORUDSRUAQVNJJX-LSDHHAIUSA-N 2 0 390.484 0.962 20 0 GCADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)sc2n1 ZINC000430649033 1185864849 /nfs/dbraw/zinc/86/48/49/1185864849.db2.gz RWBGFQOBQYMHBF-ZDUSSCGKSA-N 2 0 376.486 0.103 20 0 GCADRP CCN(C)C(=O)[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276533295 1185871488 /nfs/dbraw/zinc/87/14/88/1185871488.db2.gz JIMPKAGKLXVROI-MRXNPFEDSA-N 2 0 376.505 0.760 20 0 GCADRP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000430653576 1185876779 /nfs/dbraw/zinc/87/67/79/1185876779.db2.gz OYKKKGQYSUCGDV-HNNXBMFYSA-N 2 0 375.473 0.738 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891482576 1185887122 /nfs/dbraw/zinc/88/71/22/1185887122.db2.gz KBZJSVDUTDSXKH-RBUKOAKNSA-N 2 0 387.528 0.943 20 0 GCADRP CCOC(=O)C1CCC(O)(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000581812314 1185898176 /nfs/dbraw/zinc/89/81/76/1185898176.db2.gz RGGJOSJZZRTCHC-UHFFFAOYSA-N 2 0 397.560 0.857 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558982 1185918416 /nfs/dbraw/zinc/91/84/16/1185918416.db2.gz CKJRYCSOHYJYTF-VNHYZAJKSA-N 2 0 377.455 0.934 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891578910 1185924968 /nfs/dbraw/zinc/92/49/68/1185924968.db2.gz COFAWAPZNNRCSR-VQHPVUNQSA-N 2 0 379.505 0.827 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000581878342 1185926521 /nfs/dbraw/zinc/92/65/21/1185926521.db2.gz HTVLILUBEUHOGT-UHFFFAOYSA-N 2 0 381.565 0.910 20 0 GCADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665373 1185927654 /nfs/dbraw/zinc/92/76/54/1185927654.db2.gz MQBBUFZYKLKVLB-HOCLYGCPSA-N 2 0 387.484 0.256 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000419664915 1185953488 /nfs/dbraw/zinc/95/34/88/1185953488.db2.gz SOKIOMPOOORELD-SJORKVTESA-N 2 0 376.501 0.672 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCSC1 ZINC000891640495 1185954421 /nfs/dbraw/zinc/95/44/21/1185954421.db2.gz YMRBOJCLUIOPSS-WVZRYYJFSA-N 2 0 383.518 0.000 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419898358 1185975849 /nfs/dbraw/zinc/97/58/49/1185975849.db2.gz PLLRYSFYENKMLU-XDNAFOTISA-N 2 0 379.549 0.390 20 0 GCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000419890832 1185977132 /nfs/dbraw/zinc/97/71/32/1185977132.db2.gz IGDAQXHIOAYWEJ-ROUUACIJSA-N 2 0 380.533 0.724 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419902942 1185977937 /nfs/dbraw/zinc/97/79/37/1185977937.db2.gz WFUGXVLUARPUOX-IRXDYDNUSA-N 2 0 376.501 0.972 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891698011 1185982794 /nfs/dbraw/zinc/98/27/94/1185982794.db2.gz WGOUAVMTNCCCGD-XDNAFOTISA-N 2 0 393.532 0.931 20 0 GCADRP CC(C)[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[NH+](C(C)C)CC3)n2)CC1 ZINC000891723481 1185995217 /nfs/dbraw/zinc/99/52/17/1185995217.db2.gz BKGILOGFSGTLKW-UHFFFAOYSA-N 2 0 375.521 0.636 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000430705937 1186015623 /nfs/dbraw/zinc/01/56/23/1186015623.db2.gz MDGYIYLBBVSPES-UHFFFAOYSA-N 2 0 399.499 0.424 20 0 GCADRP C[C@@H](O)CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](C)CO ZINC000276765998 1186035108 /nfs/dbraw/zinc/03/51/08/1186035108.db2.gz NPTOQPJWQKSMPN-IAGOWNOFSA-N 2 0 379.505 0.367 20 0 GCADRP C[C@@H](CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733053 1186048523 /nfs/dbraw/zinc/04/85/23/1186048523.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 2 0 377.577 0.258 20 0 GCADRP CC(C)(CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C[NH+]1CCCC1 ZINC000891851488 1186091759 /nfs/dbraw/zinc/09/17/59/1186091759.db2.gz NMHRUXJMEIGLKL-XHSDSOJGSA-N 2 0 379.505 0.685 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857423 1186099431 /nfs/dbraw/zinc/09/94/31/1186099431.db2.gz AZOGCDZMCZDVHG-NXOAAHMSSA-N 2 0 377.489 0.580 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)NCC[NH+]3CCC(O)CC3)cn2)CC1 ZINC000891862956 1186102820 /nfs/dbraw/zinc/10/28/20/1186102820.db2.gz XWHMYXJRCXUXQV-UHFFFAOYSA-N 2 0 390.532 0.479 20 0 GCADRP Cc1c(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)nnn1C1CC[NH2+]CC1 ZINC000431026110 1186106099 /nfs/dbraw/zinc/10/60/99/1186106099.db2.gz DOHBIXXYNHTPFW-UHFFFAOYSA-N 2 0 398.515 0.588 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865448 1186107016 /nfs/dbraw/zinc/10/70/16/1186107016.db2.gz PGTRIXDWIGWRNF-LVQVYYBASA-N 2 0 379.505 0.683 20 0 GCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431028454 1186107071 /nfs/dbraw/zinc/10/70/71/1186107071.db2.gz QUFLNCYOUMTXLQ-OAHLLOKOSA-N 2 0 394.541 0.457 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000933847420 1186108941 /nfs/dbraw/zinc/10/89/41/1186108941.db2.gz GRIBRIHZLLJUAC-QZTJIDSGSA-N 2 0 393.576 0.319 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276840315 1186115160 /nfs/dbraw/zinc/11/51/60/1186115160.db2.gz IRNHMDLHMNNNMS-DOTOQJQBSA-N 2 0 376.505 0.480 20 0 GCADRP Cn1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000092426988 1186161123 /nfs/dbraw/zinc/16/11/23/1186161123.db2.gz KNDHJGLCPLATBN-UHFFFAOYSA-N 2 0 393.532 0.000 20 0 GCADRP CN1CCN(C(=O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000093175070 1186172339 /nfs/dbraw/zinc/17/23/39/1186172339.db2.gz WQRZYORJUBZGGG-UHFFFAOYSA-N 2 0 381.565 0.176 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000582003625 1186180510 /nfs/dbraw/zinc/18/05/10/1186180510.db2.gz RHCVQRLXSZEXFM-GUTXKFCHSA-N 2 0 380.489 0.665 20 0 GCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[N@H+]1CCO ZINC000458215415 1186216821 /nfs/dbraw/zinc/21/68/21/1186216821.db2.gz KPBPBERRORWQOU-BBWFWOEESA-N 2 0 383.537 0.026 20 0 GCADRP Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001707913367 1186269699 /nfs/dbraw/zinc/26/96/99/1186269699.db2.gz ZNZFNHQMAVPJJF-DNVCBOLYSA-N 2 0 378.521 0.343 20 0 GCADRP [NH3+][C@H](CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000892030313 1186311641 /nfs/dbraw/zinc/31/16/41/1186311641.db2.gz GORXAFPNQNXLOV-RBUKOAKNSA-N 2 0 375.517 0.782 20 0 GCADRP [NH3+][C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000892030314 1186311667 /nfs/dbraw/zinc/31/16/67/1186311667.db2.gz GORXAFPNQNXLOV-RTBURBONSA-N 2 0 375.517 0.782 20 0 GCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000102811874 1186321736 /nfs/dbraw/zinc/32/17/36/1186321736.db2.gz PURVMHBTCUQZOL-UHFFFAOYSA-N 2 0 389.544 0.871 20 0 GCADRP C[C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000431297970 1186328887 /nfs/dbraw/zinc/32/88/87/1186328887.db2.gz IKHIHBADWGDUKE-GOSISDBHSA-N 2 0 396.580 0.161 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000582015015 1186342675 /nfs/dbraw/zinc/34/26/75/1186342675.db2.gz WZOUVTHPVYVEOM-SFHVURJKSA-N 2 0 397.564 0.369 20 0 GCADRP COCCC1(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000892108468 1186346936 /nfs/dbraw/zinc/34/69/36/1186346936.db2.gz SZCMRQDOEFCRGQ-CYBMUJFWSA-N 2 0 381.443 0.280 20 0 GCADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892118870 1186354909 /nfs/dbraw/zinc/35/49/09/1186354909.db2.gz JFNUZHBEOQJYCA-SPUZQDLCSA-N 2 0 385.468 0.450 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000105197233 1186360238 /nfs/dbraw/zinc/36/02/38/1186360238.db2.gz OEIWSIVKYSVFLO-UHFFFAOYSA-N 2 0 378.521 0.553 20 0 GCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000892186865 1186418128 /nfs/dbraw/zinc/41/81/28/1186418128.db2.gz DRAFZFBWHSXJRH-YESZJQIVSA-N 2 0 377.533 0.890 20 0 GCADRP C[C@@H]1CSCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000934303343 1186425135 /nfs/dbraw/zinc/42/51/35/1186425135.db2.gz SSJMXBKSMIAAMP-CQSZACIVSA-N 2 0 389.529 0.839 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000582140832 1186433591 /nfs/dbraw/zinc/43/35/91/1186433591.db2.gz CENVVOXSAAAIIM-YQVWRLOYSA-N 2 0 392.544 0.546 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892263370 1186539132 /nfs/dbraw/zinc/53/91/32/1186539132.db2.gz NKWNZIGPUOOERT-LJQANCHMSA-N 2 0 387.528 0.991 20 0 GCADRP CSc1ccc([C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000582536001 1186559897 /nfs/dbraw/zinc/55/98/97/1186559897.db2.gz NIULGYNVKSSKHV-INIZCTEOSA-N 2 0 379.530 0.742 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000582619966 1186587896 /nfs/dbraw/zinc/58/78/96/1186587896.db2.gz MDGOPSVECKZIIK-RYRKJORJSA-N 2 0 379.549 0.116 20 0 GCADRP COCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073439460 1186598938 /nfs/dbraw/zinc/59/89/38/1186598938.db2.gz RYLAVLQDCVGGAF-GOSISDBHSA-N 2 0 375.517 0.821 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000125735482 1186609016 /nfs/dbraw/zinc/60/90/16/1186609016.db2.gz VBJSVFNSUKUALB-UHFFFAOYSA-N 2 0 386.500 0.974 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[C@@H]2F)[C@H](O)OC(C)(C)C)C1 ZINC001143446065 1186614811 /nfs/dbraw/zinc/61/48/11/1186614811.db2.gz PIIFPMLGHFUTOK-WLSKGAHQSA-N 2 0 375.485 0.640 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(c2nc(NC3CC3)nc(N3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000892288502 1186627538 /nfs/dbraw/zinc/62/75/38/1186627538.db2.gz QVFODISUGINURD-CALCHBBNSA-N 2 0 388.564 0.929 20 0 GCADRP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000582771285 1186665947 /nfs/dbraw/zinc/66/59/47/1186665947.db2.gz BVIALCLEQSJMAR-QZTJIDSGSA-N 2 0 378.517 0.254 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000582975955 1186740227 /nfs/dbraw/zinc/74/02/27/1186740227.db2.gz MLLNWPHTPQZDIK-JKSUJKDBSA-N 2 0 382.892 0.635 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000582975954 1186740509 /nfs/dbraw/zinc/74/05/09/1186740509.db2.gz MLLNWPHTPQZDIK-HZPDHXFCSA-N 2 0 382.892 0.635 20 0 GCADRP CC[NH+]1CCC(CNc2nc(NC)[nH+]c(NCC3CC[NH+](CC)CC3)n2)CC1 ZINC000564703346 1186757687 /nfs/dbraw/zinc/75/76/87/1186757687.db2.gz LPNSEIAMLCDWAI-UHFFFAOYSA-N 3 0 390.580 0.467 20 0 GCADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583142702 1186779875 /nfs/dbraw/zinc/77/98/75/1186779875.db2.gz IYACVLRGIULPJC-AEFFLSMTSA-N 2 0 378.517 0.300 20 0 GCADRP C[C@H](CNC(=O)NCC1(N2CCOCC2)CCOCC1)CN1CCOCC1 ZINC000458421004 1186790469 /nfs/dbraw/zinc/79/04/69/1186790469.db2.gz PXGNBNCWEZYFCG-QGZVFWFLSA-N 2 0 384.521 0.135 20 0 GCADRP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1=O ZINC000124602540 1186798658 /nfs/dbraw/zinc/79/86/58/1186798658.db2.gz FIMLPGUFSIVMMI-KRWDZBQOSA-N 2 0 391.516 0.681 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC000583340552 1186831023 /nfs/dbraw/zinc/83/10/23/1186831023.db2.gz QNMWOOYQSWAPQS-NUJGCVRESA-N 2 0 378.517 0.156 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000156020187 1186839202 /nfs/dbraw/zinc/83/92/02/1186839202.db2.gz WJKSGXVUHYSBJY-NVXWUHKLSA-N 2 0 388.516 0.859 20 0 GCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392503 1186843929 /nfs/dbraw/zinc/84/39/29/1186843929.db2.gz IKEJGSASJRVWCX-GUDVDZBRSA-N 2 0 385.512 0.504 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000583398560 1186845614 /nfs/dbraw/zinc/84/56/14/1186845614.db2.gz ZHOOQJNQFMMGFH-INIZCTEOSA-N 2 0 380.533 0.689 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000458562821 1186872134 /nfs/dbraw/zinc/87/21/34/1186872134.db2.gz YLIALROZAZGRGB-OTWHNJEPSA-N 2 0 382.549 0.900 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892342582 1186881975 /nfs/dbraw/zinc/88/19/75/1186881975.db2.gz KMDQFAXLXBPEMO-IBGZPJMESA-N 2 0 385.512 0.780 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000583562130 1186886605 /nfs/dbraw/zinc/88/66/05/1186886605.db2.gz BGORSLCNBULOFX-UHFFFAOYSA-N 2 0 385.516 0.694 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000583685660 1186918696 /nfs/dbraw/zinc/91/86/96/1186918696.db2.gz OLUHTVGCZRAAFZ-UHFFFAOYSA-N 2 0 395.592 0.709 20 0 GCADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000648178383 1186925834 /nfs/dbraw/zinc/92/58/34/1186925834.db2.gz YHGZHUVOBIQNPY-MSOLQXFVSA-N 2 0 383.496 0.229 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583812280 1186942974 /nfs/dbraw/zinc/94/29/74/1186942974.db2.gz ARSGMEONPAJBKJ-JZXOWHBKSA-N 2 0 375.517 0.333 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000458719152 1186958513 /nfs/dbraw/zinc/95/85/13/1186958513.db2.gz DJKZRQGRNCDYLZ-UHFFFAOYSA-N 2 0 382.597 0.728 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001211603579 1186966222 /nfs/dbraw/zinc/96/62/22/1186966222.db2.gz LBSPONSZLOLWJY-OQIJWPOYSA-N 2 0 393.553 0.955 20 0 GCADRP OCCN1CCCN(c2nc(N3CCC[N@H+](CCO)CC3)ncc2Cl)CC1 ZINC000151410720 1186979283 /nfs/dbraw/zinc/97/92/83/1186979283.db2.gz XVTXKGXBJVZPGA-UHFFFAOYSA-N 2 0 398.939 0.139 20 0 GCADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000584292156 1187026661 /nfs/dbraw/zinc/02/66/61/1187026661.db2.gz VWBUEKHWOOLZTQ-VQTJNVASSA-N 3 0 379.593 0.983 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)CC2)C1 ZINC000685501346 1187137273 /nfs/dbraw/zinc/13/72/73/1187137273.db2.gz XNSYVYYKVZIXDI-OALUTQOASA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000685519686 1187142747 /nfs/dbraw/zinc/14/27/47/1187142747.db2.gz DBMVTYDIFUSXKV-UHFFFAOYSA-N 2 0 394.560 0.936 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000431610053 1187158732 /nfs/dbraw/zinc/15/87/32/1187158732.db2.gz ORJSMMUKLXPMDE-UHFFFAOYSA-N 2 0 397.564 0.369 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2O)CC[N@@H+]1C ZINC001023967848 1187201823 /nfs/dbraw/zinc/20/18/23/1187201823.db2.gz JQFVZQOLHWKWQS-YCEFEEMOSA-N 2 0 388.512 0.390 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000658180356 1187253240 /nfs/dbraw/zinc/25/32/40/1187253240.db2.gz XBZLFRUNDFKGTP-QZTJIDSGSA-N 2 0 379.549 0.168 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000431628091 1187275385 /nfs/dbraw/zinc/27/53/85/1187275385.db2.gz MURWTIVAHNACRG-QGZVFWFLSA-N 2 0 397.564 0.633 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422185984 1187391020 /nfs/dbraw/zinc/39/10/20/1187391020.db2.gz JZUUGQNUEVIFFO-SFHVURJKSA-N 2 0 395.592 0.852 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)C2)CC1 ZINC000586851206 1187392650 /nfs/dbraw/zinc/39/26/50/1187392650.db2.gz XDYBRLPLNMBZBW-MJGOQNOKSA-N 2 0 393.576 0.460 20 0 GCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892477468 1187428456 /nfs/dbraw/zinc/42/84/56/1187428456.db2.gz CGXJAZBZDXZOFK-ZWKOTPCHSA-N 2 0 381.565 0.860 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CCCC2)CC1 ZINC000569745797 1187444596 /nfs/dbraw/zinc/44/45/96/1187444596.db2.gz SXGJRCTUEPJSFS-RDJZCZTQSA-N 2 0 393.532 0.363 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)(C)C[NH+](C)C ZINC000569847035 1187463875 /nfs/dbraw/zinc/46/38/75/1187463875.db2.gz UVROWGRDLYZBFK-UAGQMJEPSA-N 2 0 382.549 0.573 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000658791679 1187484374 /nfs/dbraw/zinc/48/43/74/1187484374.db2.gz FAXVHVKXYIROBS-UHFFFAOYSA-N 2 0 382.549 0.480 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC000472429588 1187486624 /nfs/dbraw/zinc/48/66/24/1187486624.db2.gz WLKSANDMQKYFBF-ZWKOTPCHSA-N 2 0 394.560 0.671 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000612481830 1187504883 /nfs/dbraw/zinc/50/48/83/1187504883.db2.gz FWXGHMMLUYTXQW-QZTJIDSGSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000612485158 1187505346 /nfs/dbraw/zinc/50/53/46/1187505346.db2.gz KWTDEKGVWONYPA-QGZVFWFLSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000612485092 1187505690 /nfs/dbraw/zinc/50/56/90/1187505690.db2.gz KINMOFDMGVYVPX-SFHVURJKSA-N 2 0 395.592 0.707 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000612545326 1187522077 /nfs/dbraw/zinc/52/20/77/1187522077.db2.gz JMYKRMLNMOYSTL-KRWDZBQOSA-N 2 0 380.533 0.690 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000612546588 1187522647 /nfs/dbraw/zinc/52/26/47/1187522647.db2.gz UGJZFRHHKQZDAC-SQNIBIBYSA-N 2 0 379.549 0.071 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612596721 1187536080 /nfs/dbraw/zinc/53/60/80/1187536080.db2.gz SJKGQPKZACHCGX-AEFFLSMTSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597006 1187536237 /nfs/dbraw/zinc/53/62/37/1187536237.db2.gz ZLBVBFJXWLTSQU-FUHWJXTLSA-N 2 0 380.533 0.450 20 0 GCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597002 1187536395 /nfs/dbraw/zinc/53/63/95/1187536395.db2.gz ZKTFAFSTBAEORW-PKOBYXMFSA-N 2 0 392.544 0.546 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000612599094 1187538699 /nfs/dbraw/zinc/53/86/99/1187538699.db2.gz OTOUSOGJKXUGCY-MOPGFXCFSA-N 2 0 392.544 0.833 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000612599334 1187538724 /nfs/dbraw/zinc/53/87/24/1187538724.db2.gz TUUAPRKVKVBSAC-LJQANCHMSA-N 2 0 392.544 0.833 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000612601705 1187540166 /nfs/dbraw/zinc/54/01/66/1187540166.db2.gz SYVVAAZNKFXNCZ-MSOLQXFVSA-N 2 0 378.517 0.443 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612601649 1187540392 /nfs/dbraw/zinc/54/03/92/1187540392.db2.gz SDPXRWRCPAYITG-GOSISDBHSA-N 2 0 380.533 0.546 20 0 GCADRP CCN(CCOCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000413845046 1187544037 /nfs/dbraw/zinc/54/40/37/1187544037.db2.gz JMIFPWRWSIKPQS-WNRNVDISSA-N 2 0 382.549 0.363 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CCN2C1=O ZINC000570345447 1187579038 /nfs/dbraw/zinc/57/90/38/1187579038.db2.gz MYHFFVPZXMJINK-DLBZAZTESA-N 2 0 377.533 0.986 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777017 1187580301 /nfs/dbraw/zinc/58/03/01/1187580301.db2.gz RERPUGQYOQRPHI-IBGZPJMESA-N 2 0 394.560 0.794 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612779758 1187584606 /nfs/dbraw/zinc/58/46/06/1187584606.db2.gz BZCBKHGUBQASCX-UHFFFAOYSA-N 2 0 394.560 0.794 20 0 GCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876647 1187609900 /nfs/dbraw/zinc/60/99/00/1187609900.db2.gz MNEPPKKHGWZNLO-HZPDHXFCSA-N 2 0 375.521 0.803 20 0 GCADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000413954621 1187610975 /nfs/dbraw/zinc/61/09/75/1187610975.db2.gz KTYPUMXWVAVWIK-OAHLLOKOSA-N 2 0 392.500 0.984 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1ccc(C[NH3+])cc1=N ZINC001167691666 1187613031 /nfs/dbraw/zinc/61/30/31/1187613031.db2.gz QAAFYBDPWZCHGW-HNNXBMFYSA-N 2 0 387.484 0.916 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612913782 1187617558 /nfs/dbraw/zinc/61/75/58/1187617558.db2.gz DSPJFULYNXMBGR-JKSUJKDBSA-N 2 0 375.521 0.708 20 0 GCADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915954 1187618558 /nfs/dbraw/zinc/61/85/58/1187618558.db2.gz VJBIQDCCXBKPLD-CVEARBPZSA-N 2 0 375.521 0.708 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)CC2)CC1 ZINC000892522093 1187664612 /nfs/dbraw/zinc/66/46/12/1187664612.db2.gz PNVZGBISFJRLFV-PMACEKPBSA-N 2 0 393.576 0.786 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000247030731 1187680747 /nfs/dbraw/zinc/68/07/47/1187680747.db2.gz QQVWILKRMYZLNO-YZGWKJHDSA-N 2 0 395.592 0.937 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000173132912 1187718017 /nfs/dbraw/zinc/71/80/17/1187718017.db2.gz HDTNITWUGIEAOE-LJQANCHMSA-N 2 0 382.549 0.792 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC(N2CCCC2=O)C1 ZINC000892543916 1187744004 /nfs/dbraw/zinc/74/40/04/1187744004.db2.gz KMPPEYXDEVQHSF-UHFFFAOYSA-N 2 0 386.500 0.610 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000376322939 1187761577 /nfs/dbraw/zinc/76/15/77/1187761577.db2.gz ORXRGECPAMNRNE-MGNMYUMUSA-N 2 0 381.521 0.090 20 0 GCADRP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000647522901 1187833650 /nfs/dbraw/zinc/83/36/50/1187833650.db2.gz UJSLOYOURWFHEO-HOTGVXAUSA-N 2 0 375.469 0.470 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659112752 1187889121 /nfs/dbraw/zinc/88/91/21/1187889121.db2.gz KYJRQMSMDFVNRE-RDJZCZTQSA-N 2 0 384.484 0.993 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 ZINC000659112147 1187890745 /nfs/dbraw/zinc/89/07/45/1187890745.db2.gz HYNSVMNFHKABPR-CQSZACIVSA-N 2 0 375.473 0.013 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000647568662 1187894792 /nfs/dbraw/zinc/89/47/92/1187894792.db2.gz QVWPMBVUWXFLIK-MSOLQXFVSA-N 2 0 380.533 0.500 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000647595387 1187905713 /nfs/dbraw/zinc/90/57/13/1187905713.db2.gz CXPMJRLBKUDVHZ-GJZGRUSLSA-N 2 0 376.501 0.502 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000584515598 1187917670 /nfs/dbraw/zinc/91/76/70/1187917670.db2.gz DLDJBZPAJJGYSD-OXQOHEQNSA-N 2 0 378.517 0.252 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000659318584 1187943401 /nfs/dbraw/zinc/94/34/01/1187943401.db2.gz IKQOYCBTUCJXMF-UHFFFAOYSA-N 2 0 395.573 0.344 20 0 GCADRP O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000659345127 1187945436 /nfs/dbraw/zinc/94/54/36/1187945436.db2.gz BOVIMOIDKYZOAX-IBGZPJMESA-N 2 0 392.544 0.644 20 0 GCADRP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344793 1187946780 /nfs/dbraw/zinc/94/67/80/1187946780.db2.gz KVPRJRITFFEGSP-QZTJIDSGSA-N 2 0 379.549 0.166 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000659425899 1187957004 /nfs/dbraw/zinc/95/70/04/1187957004.db2.gz QJDNGSJVFUGSCW-UHFFFAOYSA-N 2 0 378.477 0.475 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3occc3C[NH+](C)C)C2)CC[N@@H+]1C ZINC001025344313 1187957215 /nfs/dbraw/zinc/95/72/15/1187957215.db2.gz SJHDPYLCNJUCOL-YLFCFFPRSA-N 2 0 392.500 0.373 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659452445 1187960760 /nfs/dbraw/zinc/96/07/60/1187960760.db2.gz BVOFGVYWBMKANM-HDMKZQKVSA-N 2 0 381.471 0.955 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000659513460 1187967173 /nfs/dbraw/zinc/96/71/73/1187967173.db2.gz YDFVFQDSZZUXQU-NXHRZFHOSA-N 2 0 378.517 0.251 20 0 GCADRP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)C1 ZINC000659534515 1187968024 /nfs/dbraw/zinc/96/80/24/1187968024.db2.gz AHVXZSGCIIRURT-WIYYLYMNSA-N 2 0 391.560 0.169 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659541154 1187968681 /nfs/dbraw/zinc/96/86/81/1187968681.db2.gz ZTMLIVDUJSIESJ-LSDHHAIUSA-N 2 0 393.454 0.375 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659566596 1187971272 /nfs/dbraw/zinc/97/12/72/1187971272.db2.gz MVFJUTFRAMOADH-FQEVSTJZSA-N 2 0 386.544 0.983 20 0 GCADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659580799 1187972906 /nfs/dbraw/zinc/97/29/06/1187972906.db2.gz FITXLPPNCRBZAN-LUXYFRNMSA-N 2 0 380.439 0.871 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccco1 ZINC000659678714 1187992611 /nfs/dbraw/zinc/99/26/11/1187992611.db2.gz OQAAZQTYVWTHBC-CYBMUJFWSA-N 2 0 390.444 0.049 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000659680071 1187993385 /nfs/dbraw/zinc/99/33/85/1187993385.db2.gz SSTOSVYCLFVKIJ-ZBFHGGJFSA-N 2 0 377.489 0.224 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000659673984 1187994007 /nfs/dbraw/zinc/99/40/07/1187994007.db2.gz JYADPNIMEWUTEN-INIZCTEOSA-N 2 0 398.467 0.210 20 0 GCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659683461 1187998603 /nfs/dbraw/zinc/99/86/03/1187998603.db2.gz ZCVZCWZGHNDAQB-UKRRQHHQSA-N 2 0 398.467 0.209 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000659698402 1187999222 /nfs/dbraw/zinc/99/92/22/1187999222.db2.gz NAPKCJRQDUCQAC-SJLPKXTDSA-N 2 0 375.517 0.206 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659693015 1188000971 /nfs/dbraw/zinc/00/09/71/1188000971.db2.gz YJEIPTZSBJVVLF-KBPBESRZSA-N 2 0 379.480 0.479 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000659693278 1188001067 /nfs/dbraw/zinc/00/10/67/1188001067.db2.gz ZKLWQILYXMXWKZ-UHFFFAOYSA-N 2 0 398.467 0.169 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000659706185 1188002319 /nfs/dbraw/zinc/00/23/19/1188002319.db2.gz FVCPHFCQSCJBQU-XJKSGUPXSA-N 2 0 398.467 0.036 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000659706183 1188002546 /nfs/dbraw/zinc/00/25/46/1188002546.db2.gz FVCPHFCQSCJBQU-CJNGLKHVSA-N 2 0 398.467 0.036 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N1CCN(c2ccccc2)CC1 ZINC000659698677 1188003371 /nfs/dbraw/zinc/00/33/71/1188003371.db2.gz HZHDFIGCFZEIGE-MRXNPFEDSA-N 2 0 375.517 0.509 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659700408 1188003909 /nfs/dbraw/zinc/00/39/09/1188003909.db2.gz JIHHQCXRWKPTCW-SFHVURJKSA-N 2 0 394.560 0.842 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCSC1 ZINC000659702084 1188004733 /nfs/dbraw/zinc/00/47/33/1188004733.db2.gz NXNDHRICNHDCPT-LPHOPBHVSA-N 2 0 382.574 0.778 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCSC1 ZINC000659702085 1188005174 /nfs/dbraw/zinc/00/51/74/1188005174.db2.gz NXNDHRICNHDCPT-QFBILLFUSA-N 2 0 382.574 0.778 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000892704154 1188007388 /nfs/dbraw/zinc/00/73/88/1188007388.db2.gz OPEKLKOTDPUDHM-UHFFFAOYSA-N 2 0 391.516 0.234 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659728181 1188011670 /nfs/dbraw/zinc/01/16/70/1188011670.db2.gz ISOWLNVXOUZTNQ-UHFFFAOYSA-N 2 0 375.517 0.853 20 0 GCADRP CC[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000659729936 1188015229 /nfs/dbraw/zinc/01/52/29/1188015229.db2.gz QOUQFHVIORMKBZ-RTBURBONSA-N 2 0 387.528 0.996 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659729921 1188016127 /nfs/dbraw/zinc/01/61/27/1188016127.db2.gz QGZKLZPYCKUIAT-APWZRJJASA-N 2 0 387.528 0.996 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732798 1188019785 /nfs/dbraw/zinc/01/97/85/1188019785.db2.gz OCEAAQGQQZZFTR-IAGOWNOFSA-N 2 0 379.549 0.391 20 0 GCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)C1 ZINC000415296806 1188024974 /nfs/dbraw/zinc/02/49/74/1188024974.db2.gz TXIJMKOBFLGOKQ-OAHLLOKOSA-N 2 0 387.484 0.999 20 0 GCADRP C[C@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000415347060 1188056099 /nfs/dbraw/zinc/05/60/99/1188056099.db2.gz IMUVARPVHHSOML-WMZOPIPTSA-N 2 0 387.528 0.877 20 0 GCADRP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1 ZINC000415356542 1188058396 /nfs/dbraw/zinc/05/83/96/1188058396.db2.gz QNZOZWHJIDYSSI-HNNXBMFYSA-N 2 0 387.484 0.999 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000415369233 1188062679 /nfs/dbraw/zinc/06/26/79/1188062679.db2.gz BMCUSTNTYFFDHK-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1C[NH+](C)C ZINC000415366696 1188063806 /nfs/dbraw/zinc/06/38/06/1188063806.db2.gz FRXHOWNLYLUBJZ-INIZCTEOSA-N 2 0 389.500 0.309 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415418288 1188074829 /nfs/dbraw/zinc/07/48/29/1188074829.db2.gz RKTPZJGPAKQXPQ-HNNXBMFYSA-N 2 0 389.500 0.596 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@H](C)O1 ZINC000377647159 1188094843 /nfs/dbraw/zinc/09/48/43/1188094843.db2.gz LTVIZVBNTMGVCJ-SCTDSRPQSA-N 2 0 394.560 0.744 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000415517404 1188097080 /nfs/dbraw/zinc/09/70/80/1188097080.db2.gz HKKZNUDLVBKRBJ-SJLPKXTDSA-N 2 0 387.528 0.958 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH2+]CCOC)c(C)c2)CC1 ZINC000415538235 1188100507 /nfs/dbraw/zinc/10/05/07/1188100507.db2.gz IULDTQFQKPEAGJ-UHFFFAOYSA-N 2 0 391.516 0.428 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)[C@@H](C)C[NH2+]1 ZINC000415552322 1188104719 /nfs/dbraw/zinc/10/47/19/1188104719.db2.gz FLVGVUFUOKBLTA-KBPBESRZSA-N 2 0 375.473 0.702 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415600401 1188119217 /nfs/dbraw/zinc/11/92/17/1188119217.db2.gz HMMOOXCVUYGCLQ-OAHLLOKOSA-N 2 0 378.473 0.532 20 0 GCADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415755471 1188157336 /nfs/dbraw/zinc/15/73/36/1188157336.db2.gz CGMLFCVTOFZEFF-DZFIZOCASA-N 2 0 399.495 0.774 20 0 GCADRP CN(C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C1C[NH2+]C1 ZINC000415749350 1188157609 /nfs/dbraw/zinc/15/76/09/1188157609.db2.gz ZITMVSIJKZZCLE-UHFFFAOYSA-N 2 0 387.484 0.870 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(c2nc(C(N)=O)cc(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000893118239 1189372945 /nfs/dbraw/zinc/37/29/45/1189372945.db2.gz CDPXZBHXHBPXMR-CABCVRRESA-N 2 0 375.521 0.351 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415861135 1189384616 /nfs/dbraw/zinc/38/46/16/1189384616.db2.gz IECYXSHFGJKZCE-GOSISDBHSA-N 2 0 390.484 0.594 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCCO1 ZINC000415858108 1189386957 /nfs/dbraw/zinc/38/69/57/1189386957.db2.gz ITIVIQWZSMWCKL-INIZCTEOSA-N 2 0 392.525 0.750 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1F ZINC000415890098 1189396081 /nfs/dbraw/zinc/39/60/81/1189396081.db2.gz GZDGOUHXCRXWKL-KGLIPLIRSA-N 2 0 378.448 0.773 20 0 GCADRP CC(=O)N1Cc2ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2C1 ZINC000659903813 1189438148 /nfs/dbraw/zinc/43/81/48/1189438148.db2.gz DWFPZYPLCHYPNT-UHFFFAOYSA-N 2 0 382.530 0.663 20 0 GCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416222023 1189459603 /nfs/dbraw/zinc/45/96/03/1189459603.db2.gz DBVUDHNKTPUJNO-IBGZPJMESA-N 2 0 390.528 0.928 20 0 GCADRP COc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)ccc1OCC[NH+](C)C ZINC000416342526 1189494149 /nfs/dbraw/zinc/49/41/49/1189494149.db2.gz PDRASKNWRAULSK-HNNXBMFYSA-N 2 0 392.500 0.984 20 0 GCADRP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000363809493 1189494785 /nfs/dbraw/zinc/49/47/85/1189494785.db2.gz BOKGVUUJMQMNAX-IBGZPJMESA-N 2 0 381.565 0.907 20 0 GCADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000893230122 1189501412 /nfs/dbraw/zinc/50/14/12/1189501412.db2.gz AEKAPLYCAOUDAA-NXHRZFHOSA-N 2 0 381.542 0.688 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000893238608 1189508501 /nfs/dbraw/zinc/50/85/01/1189508501.db2.gz OADWDJSHXCYOQL-QRVBRYPASA-N 2 0 381.565 0.501 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000378510890 1189523597 /nfs/dbraw/zinc/52/35/97/1189523597.db2.gz JEJBYCIGPVCVOG-ROUUACIJSA-N 2 0 398.548 0.966 20 0 GCADRP CN1CCC(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)([NH+]2CCCCC2)CC1 ZINC000893267619 1189570254 /nfs/dbraw/zinc/57/02/54/1189570254.db2.gz MLJMJINFTMPPDQ-UHFFFAOYSA-N 2 0 394.608 0.826 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000416834907 1189587286 /nfs/dbraw/zinc/58/72/86/1189587286.db2.gz XWFPDSBHCHXKRP-JKSUJKDBSA-N 2 0 377.489 0.913 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000416859552 1189588954 /nfs/dbraw/zinc/58/89/54/1189588954.db2.gz BBKLZMYWEPFDET-LMMKCTJWSA-N 2 0 395.548 0.289 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000416859553 1189589347 /nfs/dbraw/zinc/58/93/47/1189589347.db2.gz BBKLZMYWEPFDET-SCTDSRPQSA-N 2 0 395.548 0.289 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000416854257 1189589497 /nfs/dbraw/zinc/58/94/97/1189589497.db2.gz UZQIKQJQBWMDHN-ROUUACIJSA-N 2 0 375.517 0.656 20 0 GCADRP COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000511594772 1189604179 /nfs/dbraw/zinc/60/41/79/1189604179.db2.gz DCMHNYUPHMLDOP-SJORKVTESA-N 2 0 382.549 0.839 20 0 GCADRP COC[C@@]1(CNC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000416980288 1189604433 /nfs/dbraw/zinc/60/44/33/1189604433.db2.gz FSAMHUKNIIATJB-IBGZPJMESA-N 2 0 376.505 0.401 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417021408 1189607924 /nfs/dbraw/zinc/60/79/24/1189607924.db2.gz NDDXECQYFMNFSR-HXUWFJFHSA-N 2 0 388.560 0.397 20 0 GCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417134729 1189623736 /nfs/dbraw/zinc/62/37/36/1189623736.db2.gz ATRLQZIJKIBOGX-FQEVSTJZSA-N 2 0 389.544 0.872 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000364036718 1189625224 /nfs/dbraw/zinc/62/52/24/1189625224.db2.gz LZWHRSZNNSPYCE-OXQOHEQNSA-N 2 0 393.532 0.581 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000364036716 1189625324 /nfs/dbraw/zinc/62/53/24/1189625324.db2.gz LZWHRSZNNSPYCE-OXJNMPFZSA-N 2 0 393.532 0.581 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000417148586 1189625547 /nfs/dbraw/zinc/62/55/47/1189625547.db2.gz HCUFRLPQTGMWLQ-LJQANCHMSA-N 2 0 375.517 0.958 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000186966996 1189628448 /nfs/dbraw/zinc/62/84/48/1189628448.db2.gz MWMQAWMWHCAHGD-SFHVURJKSA-N 2 0 389.544 0.897 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000186966973 1189628841 /nfs/dbraw/zinc/62/88/41/1189628841.db2.gz MWMQAWMWHCAHGD-GOSISDBHSA-N 2 0 389.544 0.897 20 0 GCADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417301594 1189641483 /nfs/dbraw/zinc/64/14/83/1189641483.db2.gz VLYGVEDJCNABQO-CQSZACIVSA-N 2 0 381.443 0.233 20 0 GCADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612917594 1189650069 /nfs/dbraw/zinc/65/00/69/1189650069.db2.gz HGVHAAGGENLPHY-HZPDHXFCSA-N 2 0 375.521 0.850 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000417387510 1189655976 /nfs/dbraw/zinc/65/59/76/1189655976.db2.gz NPAVWFZTSRPRFK-GOSISDBHSA-N 3 0 376.505 0.353 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000417387519 1189656147 /nfs/dbraw/zinc/65/61/47/1189656147.db2.gz NPAVWFZTSRPRFK-SFHVURJKSA-N 3 0 376.505 0.353 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000417386170 1189656307 /nfs/dbraw/zinc/65/63/07/1189656307.db2.gz MNNPERWVAJAYMM-GOSISDBHSA-N 3 0 376.505 0.271 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417386174 1189656522 /nfs/dbraw/zinc/65/65/22/1189656522.db2.gz MNNPERWVAJAYMM-SFHVURJKSA-N 3 0 376.505 0.271 20 0 GCADRP O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000584779441 1189660974 /nfs/dbraw/zinc/66/09/74/1189660974.db2.gz AJAGQYDBLBHAEJ-MRXNPFEDSA-N 2 0 399.499 0.566 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417435346 1189661954 /nfs/dbraw/zinc/66/19/54/1189661954.db2.gz YGDSPIUZKNUFKU-KSZLIROESA-N 2 0 379.549 0.960 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417429267 1189662855 /nfs/dbraw/zinc/66/28/55/1189662855.db2.gz MSRUIIVKBYJUPB-QZTJIDSGSA-N 2 0 379.549 0.960 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000584860473 1189693573 /nfs/dbraw/zinc/69/35/73/1189693573.db2.gz RUWNKWVVUJKFTB-OALUTQOASA-N 2 0 394.560 0.671 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000584860475 1189693954 /nfs/dbraw/zinc/69/39/54/1189693954.db2.gz RUWNKWVVUJKFTB-RTBURBONSA-N 2 0 394.560 0.671 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[C@H](C)C1 ZINC000417673864 1189695019 /nfs/dbraw/zinc/69/50/19/1189695019.db2.gz XLKCJBRSNBGSSD-QRVBRYPASA-N 2 0 381.565 0.813 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[C@@H](C)C1 ZINC000417673862 1189695289 /nfs/dbraw/zinc/69/52/89/1189695289.db2.gz XLKCJBRSNBGSSD-FHWLQOOXSA-N 2 0 381.565 0.813 20 0 GCADRP [NH3+][C@H](CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)Cc1ccccc1 ZINC000578986757 1189717589 /nfs/dbraw/zinc/71/75/89/1189717589.db2.gz WSVATIGNANFSFP-YTQUADARSA-N 2 0 385.512 0.693 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000660342473 1189722309 /nfs/dbraw/zinc/72/23/09/1189722309.db2.gz DQANHXSWESAINW-SJORKVTESA-N 2 0 380.533 0.687 20 0 GCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000418193054 1189734509 /nfs/dbraw/zinc/73/45/09/1189734509.db2.gz NDTVMUMSGKTXBF-SFHVURJKSA-N 2 0 390.532 0.601 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000418283675 1189747215 /nfs/dbraw/zinc/74/72/15/1189747215.db2.gz AJXZPYGRTGXPEJ-HDICACEKSA-N 2 0 381.565 0.813 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000636560416 1189809701 /nfs/dbraw/zinc/80/97/01/1189809701.db2.gz SOOHGSSVRGSMTM-VQTJNVASSA-N 2 0 389.544 0.731 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418531231 1189818412 /nfs/dbraw/zinc/81/84/12/1189818412.db2.gz BDRAKHRIHZJPPE-RXVVDRJESA-N 2 0 389.544 0.964 20 0 GCADRP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000432187196 1189912217 /nfs/dbraw/zinc/91/22/17/1189912217.db2.gz OQXVMZHDMSQZLO-SFHVURJKSA-N 2 0 380.533 0.546 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000660755962 1189947107 /nfs/dbraw/zinc/94/71/07/1189947107.db2.gz HAPLQZIGGRBWLD-ZWKOTPCHSA-N 2 0 382.549 0.935 20 0 GCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC000660859617 1189957525 /nfs/dbraw/zinc/95/75/25/1189957525.db2.gz OJFRHIRGKZZCGP-UHFFFAOYSA-N 2 0 381.565 0.909 20 0 GCADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660864831 1189959315 /nfs/dbraw/zinc/95/93/15/1189959315.db2.gz PLGMIFXWMYCSRX-UXHICEINSA-N 2 0 393.576 0.814 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000418571714 1189978347 /nfs/dbraw/zinc/97/83/47/1189978347.db2.gz ZEGYOYLTFVPQMY-MSOLQXFVSA-N 2 0 376.501 0.897 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662714774 1190002730 /nfs/dbraw/zinc/00/27/30/1190002730.db2.gz BEFPQCJQZUZMAV-MRXNPFEDSA-N 2 0 391.520 0.219 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)CC2)C1 ZINC000662758002 1190021170 /nfs/dbraw/zinc/02/11/70/1190021170.db2.gz NIIJDKLXFYYQPJ-IRXDYDNUSA-N 2 0 375.521 0.445 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H]1C[NH3+] ZINC000419222874 1193721400 /nfs/dbraw/zinc/72/14/00/1193721400.db2.gz XPVPFJBOMUDWFY-MAUKXSAKSA-N 2 0 376.501 0.829 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000419226605 1193728320 /nfs/dbraw/zinc/72/83/20/1193728320.db2.gz RBHJPUAMXPAXQS-MSOLQXFVSA-N 2 0 378.517 0.500 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419228767 1193738261 /nfs/dbraw/zinc/73/82/61/1193738261.db2.gz MRMXPRGGLMUJEV-NZSAHSFTSA-N 2 0 388.512 0.589 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000663956891 1193739078 /nfs/dbraw/zinc/73/90/78/1193739078.db2.gz SCBJSIDDHNUCCA-OALUTQOASA-N 2 0 394.516 0.460 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000419231216 1193742375 /nfs/dbraw/zinc/74/23/75/1193742375.db2.gz RPKNPKOCFUENLZ-KRWDZBQOSA-N 2 0 380.533 0.724 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419233970 1193745121 /nfs/dbraw/zinc/74/51/21/1193745121.db2.gz XAHLQPOYMJKDOM-IEBWSBKVSA-N 2 0 387.528 0.035 20 0 GCADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419236019 1193749974 /nfs/dbraw/zinc/74/99/74/1193749974.db2.gz ZWMVLGNJEFTEMD-HOTGVXAUSA-N 2 0 376.501 0.039 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419238193 1193753101 /nfs/dbraw/zinc/75/31/01/1193753101.db2.gz CXRDYCOGBSDZAX-DZFIZOCASA-N 2 0 390.528 0.611 20 0 GCADRP COc1cc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1OCC(N)=O ZINC000433118310 1193754662 /nfs/dbraw/zinc/75/46/62/1193754662.db2.gz RKWBLDIXTKHPOD-UHFFFAOYSA-N 2 0 378.473 0.379 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000419249455 1193763492 /nfs/dbraw/zinc/76/34/92/1193763492.db2.gz ZAFAAEDHICWQOE-ZWKOTPCHSA-N 2 0 388.512 0.857 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000433170131 1193771831 /nfs/dbraw/zinc/77/18/31/1193771831.db2.gz ZYOSKGUIQKHNBA-UHFFFAOYSA-N 2 0 379.505 0.561 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512808109 1193773762 /nfs/dbraw/zinc/77/37/62/1193773762.db2.gz NJASDLGDNGRPMX-UHFFFAOYSA-N 2 0 383.581 0.892 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419274555 1193781090 /nfs/dbraw/zinc/78/10/90/1193781090.db2.gz BLRLPHLYWSKJDJ-GUYCJALGSA-N 2 0 391.491 0.608 20 0 GCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419288269 1193786870 /nfs/dbraw/zinc/78/68/70/1193786870.db2.gz SLHZMUZULWQBMD-KBPBESRZSA-N 2 0 379.480 0.466 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419294416 1193789678 /nfs/dbraw/zinc/78/96/78/1193789678.db2.gz BRVIVLUFPUMWPB-KBPBESRZSA-N 2 0 379.480 0.608 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419292117 1193789696 /nfs/dbraw/zinc/78/96/96/1193789696.db2.gz XRVKXUYETPFCLC-GOEBONIOSA-N 2 0 391.491 0.623 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419306613 1193799545 /nfs/dbraw/zinc/79/95/45/1193799545.db2.gz YITNIZSHQRLJQU-UKRRQHHQSA-N 2 0 377.464 0.233 20 0 GCADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000412065139 1193805454 /nfs/dbraw/zinc/80/54/54/1193805454.db2.gz CNGDCJTWQHHYTP-HUUCEWRRSA-N 2 0 387.488 0.105 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCO1 ZINC000433330714 1193808309 /nfs/dbraw/zinc/80/83/09/1193808309.db2.gz CTSBAFYMKKCWPO-QGZVFWFLSA-N 2 0 397.564 0.729 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000433395945 1193824889 /nfs/dbraw/zinc/82/48/89/1193824889.db2.gz BUQCVPOYUFANBO-SJORKVTESA-N 2 0 383.537 0.374 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000419334597 1193826456 /nfs/dbraw/zinc/82/64/56/1193826456.db2.gz JFYJQYQIAJIOGA-UHFFFAOYSA-N 2 0 399.539 0.476 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])cc2)CC1 ZINC000419335791 1193827943 /nfs/dbraw/zinc/82/79/43/1193827943.db2.gz KCEXMLAAMPAHCZ-INIZCTEOSA-N 2 0 375.517 0.294 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419337835 1193833345 /nfs/dbraw/zinc/83/33/45/1193833345.db2.gz LHGFFAONZHMYKM-MRXNPFEDSA-N 2 0 375.517 0.294 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000419347060 1193843421 /nfs/dbraw/zinc/84/34/21/1193843421.db2.gz WAGHORHCRQUIRO-MJGOQNOKSA-N 2 0 388.512 0.844 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419353563 1193848285 /nfs/dbraw/zinc/84/82/85/1193848285.db2.gz JVUHEJSLRWHYEG-YOEHRIQHSA-N 2 0 398.454 0.221 20 0 GCADRP CSC[C@H](C)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419354924 1193854571 /nfs/dbraw/zinc/85/45/71/1193854571.db2.gz DSQMSJPRFGYZKK-HNNXBMFYSA-N 2 0 378.542 0.964 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCO1 ZINC000433462831 1193866335 /nfs/dbraw/zinc/86/63/35/1193866335.db2.gz LZYPFSBOSDXERZ-GOSISDBHSA-N 2 0 395.548 0.437 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419366479 1193867863 /nfs/dbraw/zinc/86/78/63/1193867863.db2.gz YVGVNKLDLYHZDU-SFHVURJKSA-N 3 0 388.516 0.050 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419368174 1193872248 /nfs/dbraw/zinc/87/22/48/1193872248.db2.gz FONVXIPTTXXWLM-RTBURBONSA-N 2 0 390.528 0.550 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccsc1 ZINC000419375499 1193875513 /nfs/dbraw/zinc/87/55/13/1193875513.db2.gz RPSIFTIHGPMXQZ-MRXNPFEDSA-N 2 0 381.546 0.269 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419380866 1193882040 /nfs/dbraw/zinc/88/20/40/1193882040.db2.gz XWOSVIFFNNGFAC-ZWKOTPCHSA-N 2 0 376.501 0.242 20 0 GCADRP CN1CCO[C@H]([C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386824 1193895603 /nfs/dbraw/zinc/89/56/03/1193895603.db2.gz IYLUENHNFZWDCO-LSDHHAIUSA-N 2 0 382.892 0.681 20 0 GCADRP C[NH+]1CCC(NC(=S)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000729160240 1193907080 /nfs/dbraw/zinc/90/70/80/1193907080.db2.gz LLAIFMWGAPKVRW-UHFFFAOYSA-N 2 0 391.589 0.937 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000513239227 1193926722 /nfs/dbraw/zinc/92/67/22/1193926722.db2.gz WBCVNSGAWAEIAQ-UHFFFAOYSA-N 2 0 392.500 0.793 20 0 GCADRP CS(=O)(=O)C1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000262440177 1193948346 /nfs/dbraw/zinc/94/83/46/1193948346.db2.gz UUTNOLWKMBMPGB-GOSISDBHSA-N 2 0 393.553 0.834 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)CC2)CC1 ZINC000433823248 1193951046 /nfs/dbraw/zinc/95/10/46/1193951046.db2.gz NQAYETBRXFEXAZ-IBGZPJMESA-N 2 0 394.608 0.822 20 0 GCADRP O=C(NCC[NH+]1CC=CCC1)[C@H]1CC[C@H](C(=O)NCC[N@H+]2CC=CCC2)O1 ZINC000280372734 1193989736 /nfs/dbraw/zinc/98/97/36/1193989736.db2.gz ZBKWGPZXKAJJMT-QZTJIDSGSA-N 2 0 376.501 0.290 20 0 GCADRP O=C(NCC[NH+]1CC=CCC1)[C@@H]1CC[C@@H](C(=O)NCC[N@H+]2CC=CCC2)O1 ZINC000280372735 1193989805 /nfs/dbraw/zinc/98/98/05/1193989805.db2.gz ZBKWGPZXKAJJMT-ROUUACIJSA-N 2 0 376.501 0.290 20 0 GCADRP CO[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419399069 1194019250 /nfs/dbraw/zinc/01/92/50/1194019250.db2.gz IWAWUOJPQVAZNU-MSOLQXFVSA-N 2 0 388.512 0.780 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000419402354 1194019976 /nfs/dbraw/zinc/01/99/76/1194019976.db2.gz CHLSGPKMFHAFRO-GOSISDBHSA-N 2 0 394.491 0.901 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000419401299 1194020258 /nfs/dbraw/zinc/02/02/58/1194020258.db2.gz APMUOTWBAXNLKY-MSOLQXFVSA-N 2 0 380.533 0.579 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000419418483 1194022553 /nfs/dbraw/zinc/02/25/53/1194022553.db2.gz LDYBEIAXGXKHSC-MOPGFXCFSA-N 2 0 387.528 0.431 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419420456 1194023469 /nfs/dbraw/zinc/02/34/69/1194023469.db2.gz NAPOKKONPBTGPU-HKUYNNGSSA-N 2 0 389.544 0.453 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419420149 1194023699 /nfs/dbraw/zinc/02/36/99/1194023699.db2.gz MLFVDAQJBUTBQM-LJQANCHMSA-N 2 0 387.528 0.131 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419421269 1194024121 /nfs/dbraw/zinc/02/41/21/1194024121.db2.gz OKEZDKDZGHJZAZ-LJQANCHMSA-N 2 0 389.544 0.410 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419421274 1194024344 /nfs/dbraw/zinc/02/43/44/1194024344.db2.gz OLMLGLGICWAAOD-FQEVSTJZSA-N 2 0 399.539 0.517 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424737 1194025269 /nfs/dbraw/zinc/02/52/69/1194025269.db2.gz ULIYLQRPFATYMW-FUHWJXTLSA-N 2 0 375.517 0.335 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419423484 1194025691 /nfs/dbraw/zinc/02/56/91/1194025691.db2.gz RSXTYLMZPFOZFU-ZWKOTPCHSA-N 2 0 387.528 0.524 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419425422 1194026046 /nfs/dbraw/zinc/02/60/46/1194026046.db2.gz VQEYACBAJLTJIX-KRWDZBQOSA-N 2 0 375.517 0.164 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419426877 1194026853 /nfs/dbraw/zinc/02/68/53/1194026853.db2.gz YFPDXGNSJBNSDI-RBUKOAKNSA-N 2 0 399.539 0.383 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427877 1194027255 /nfs/dbraw/zinc/02/72/55/1194027255.db2.gz ZZGRZWMJABYYMU-GOSISDBHSA-N 2 0 375.517 0.207 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000419410132 1194028962 /nfs/dbraw/zinc/02/89/62/1194028962.db2.gz OFZDLCCIDMPVKS-GVDBMIGSSA-N 2 0 380.464 0.509 20 0 GCADRP CC[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419411319 1194029422 /nfs/dbraw/zinc/02/94/22/1194029422.db2.gz HNBOLXWPYBMXNA-ZWKOTPCHSA-N 2 0 376.501 0.637 20 0 GCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419412907 1194030300 /nfs/dbraw/zinc/03/03/00/1194030300.db2.gz DVMAVHUCMYGEFD-QZTJIDSGSA-N 2 0 387.528 0.559 20 0 GCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419412909 1194030326 /nfs/dbraw/zinc/03/03/26/1194030326.db2.gz DVMAVHUCMYGEFD-ZWKOTPCHSA-N 2 0 387.528 0.559 20 0 GCADRP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419413042 1194030477 /nfs/dbraw/zinc/03/04/77/1194030477.db2.gz KCLCXDIRUQXLGY-NEWSRXKRSA-N 2 0 390.528 0.754 20 0 GCADRP CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419415880 1194031596 /nfs/dbraw/zinc/03/15/96/1194031596.db2.gz NZOSDEIUDNQLMS-OTWHNJEPSA-N 2 0 388.512 0.636 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419415947 1194032136 /nfs/dbraw/zinc/03/21/36/1194032136.db2.gz INRZQKLWXVVDPE-MSOLQXFVSA-N 2 0 387.528 0.572 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419415950 1194032252 /nfs/dbraw/zinc/03/22/52/1194032252.db2.gz INRZQKLWXVVDPE-ZWKOTPCHSA-N 2 0 387.528 0.572 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000419415949 1194032344 /nfs/dbraw/zinc/03/23/44/1194032344.db2.gz INRZQKLWXVVDPE-ROUUACIJSA-N 2 0 387.528 0.572 20 0 GCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419475676 1194039372 /nfs/dbraw/zinc/03/93/72/1194039372.db2.gz OJPYAKDHWMTWHP-NZSAHSFTSA-N 2 0 388.512 0.589 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419484673 1194041252 /nfs/dbraw/zinc/04/12/52/1194041252.db2.gz UDBWGSNNLRJFBL-KRWDZBQOSA-N 2 0 381.565 0.415 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419507174 1194047310 /nfs/dbraw/zinc/04/73/10/1194047310.db2.gz OCUIHRBXHGWOPX-RYQLBKOJSA-N 2 0 388.512 0.854 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000419531754 1194050182 /nfs/dbraw/zinc/05/01/82/1194050182.db2.gz GGNGZODNCCBULN-GOSISDBHSA-N 2 0 376.501 0.762 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000419513768 1194051293 /nfs/dbraw/zinc/05/12/93/1194051293.db2.gz MZSOZQQVVNRHDU-UHFFFAOYSA-N 2 0 375.517 0.477 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000419516889 1194051540 /nfs/dbraw/zinc/05/15/40/1194051540.db2.gz VNNCRSFGOKZABK-IBGZPJMESA-N 2 0 389.544 0.723 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000419514622 1194052001 /nfs/dbraw/zinc/05/20/01/1194052001.db2.gz PDIMUPVPTIREIP-GOSISDBHSA-N 2 0 387.528 0.444 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000419517016 1194052672 /nfs/dbraw/zinc/05/26/72/1194052672.db2.gz VTTVAGRZUBCULN-IBGZPJMESA-N 2 0 387.528 0.477 20 0 GCADRP CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1CCOC ZINC000501079366 1194053454 /nfs/dbraw/zinc/05/34/54/1194053454.db2.gz ZSEXQUBWBRKVTG-QZTJIDSGSA-N 2 0 397.564 0.716 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000419557792 1194054482 /nfs/dbraw/zinc/05/44/82/1194054482.db2.gz LQXBSCUMBPOMMT-GDBMZVCRSA-N 2 0 382.530 0.599 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419537401 1194055378 /nfs/dbraw/zinc/05/53/78/1194055378.db2.gz NLBRSFXIBRAUEM-FUHWJXTLSA-N 2 0 376.501 0.633 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000419539406 1194055710 /nfs/dbraw/zinc/05/57/10/1194055710.db2.gz POUQUNLSEOHBTN-SFHVURJKSA-N 2 0 376.501 0.634 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419537403 1194055947 /nfs/dbraw/zinc/05/59/47/1194055947.db2.gz NLBRSFXIBRAUEM-WMZOPIPTSA-N 2 0 376.501 0.633 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000419547827 1194056700 /nfs/dbraw/zinc/05/67/00/1194056700.db2.gz RYFDVQJTFYHCAB-SZMVWBNQSA-N 2 0 376.501 0.618 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000419547825 1194057108 /nfs/dbraw/zinc/05/71/08/1194057108.db2.gz RYFDVQJTFYHCAB-NJAFHUGGSA-N 2 0 376.501 0.618 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419549403 1194057731 /nfs/dbraw/zinc/05/77/31/1194057731.db2.gz VQBVIVAPXWXBTB-CEXWTWQISA-N 2 0 388.512 0.490 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419549197 1194058158 /nfs/dbraw/zinc/05/81/58/1194058158.db2.gz VEPOFKDKDLJXPM-ROUUACIJSA-N 2 0 376.501 0.680 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000419581548 1194060633 /nfs/dbraw/zinc/06/06/33/1194060633.db2.gz IKBLTCQIMPHODJ-MDASCCDHSA-N 2 0 388.512 0.856 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000419585579 1194065721 /nfs/dbraw/zinc/06/57/21/1194065721.db2.gz GDMYHVBEFLHKOO-ZACQAIPSSA-N 2 0 390.528 0.775 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000419656100 1194073881 /nfs/dbraw/zinc/07/38/81/1194073881.db2.gz IARCJZDFROYPBL-UHFFFAOYSA-N 2 0 376.501 0.483 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000419656126 1194073957 /nfs/dbraw/zinc/07/39/57/1194073957.db2.gz IFRFVAWYGCAXDT-GOSISDBHSA-N 2 0 392.500 0.210 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000419654511 1194073967 /nfs/dbraw/zinc/07/39/67/1194073967.db2.gz GPZIASMFSXLSOH-NRFANRHFSA-N 2 0 388.512 0.845 20 0 GCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419653803 1194074060 /nfs/dbraw/zinc/07/40/60/1194074060.db2.gz RIFYMSHFYGBZGD-DOTOQJQBSA-N 2 0 376.501 0.808 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000419650205 1194076951 /nfs/dbraw/zinc/07/69/51/1194076951.db2.gz CFQIKMDXZMZTLD-MRXNPFEDSA-N 2 0 390.528 0.872 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000419663151 1194077397 /nfs/dbraw/zinc/07/73/97/1194077397.db2.gz PPBCSSZOJLUZTI-MJGOQNOKSA-N 2 0 390.528 0.919 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419663782 1194077497 /nfs/dbraw/zinc/07/74/97/1194077497.db2.gz QPWLLHDCHPOJOX-PKOBYXMFSA-N 2 0 387.528 0.177 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000419661439 1194077532 /nfs/dbraw/zinc/07/75/32/1194077532.db2.gz MTBLBKLQHYBNRI-HOTGVXAUSA-N 2 0 376.501 0.495 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000419666705 1194078248 /nfs/dbraw/zinc/07/82/48/1194078248.db2.gz WHCMEDBMOJVAIS-YJBOKZPZSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419666311 1194078639 /nfs/dbraw/zinc/07/86/39/1194078639.db2.gz VZMZPFUTMXPHNG-NEWSRXKRSA-N 2 0 388.512 0.650 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419668445 1194078960 /nfs/dbraw/zinc/07/89/60/1194078960.db2.gz YKLKSCTXJQRDOG-WMZOPIPTSA-N 2 0 390.528 0.872 20 0 GCADRP COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1OCC[NH+](C)C ZINC000419686359 1194084817 /nfs/dbraw/zinc/08/48/17/1194084817.db2.gz XKLIQBVPHMIMHV-HNNXBMFYSA-N 2 0 390.484 0.927 20 0 GCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419689663 1194085634 /nfs/dbraw/zinc/08/56/34/1194085634.db2.gz JKIIOXZQWBDMAD-IBGZPJMESA-N 2 0 387.528 0.260 20 0 GCADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419692646 1194086131 /nfs/dbraw/zinc/08/61/31/1194086131.db2.gz YEYYOVHKDPRIKK-QGZVFWFLSA-N 2 0 398.511 0.498 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000419695106 1194086830 /nfs/dbraw/zinc/08/68/30/1194086830.db2.gz RINYSIWFZWRIRT-HOTGVXAUSA-N 2 0 398.573 0.429 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)NCC1C[NH2+]C1 ZINC000419742454 1194094941 /nfs/dbraw/zinc/09/49/41/1194094941.db2.gz JSDAQVFNWFZIKQ-UHFFFAOYSA-N 2 0 393.919 0.304 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419749454 1194096060 /nfs/dbraw/zinc/09/60/60/1194096060.db2.gz GVMJNEZZNWBMIB-MRXNPFEDSA-N 2 0 382.549 0.886 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419754496 1194097728 /nfs/dbraw/zinc/09/77/28/1194097728.db2.gz OYVPBIDGJIDGPR-QGZVFWFLSA-N 2 0 376.501 0.808 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CCCC2)CC1 ZINC000419753998 1194098001 /nfs/dbraw/zinc/09/80/01/1194098001.db2.gz OISUJLBYZLCAFE-HZPDHXFCSA-N 2 0 380.533 0.722 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CCCC2)CC1 ZINC000419757630 1194098279 /nfs/dbraw/zinc/09/82/79/1194098279.db2.gz UVRXXJALKPKBEU-IYBDPMFKSA-N 2 0 378.517 0.204 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000419737924 1194099878 /nfs/dbraw/zinc/09/98/78/1194099878.db2.gz YJUGPAOBEJFLDA-MSOLQXFVSA-N 2 0 376.501 0.763 20 0 GCADRP CN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419738254 1194100237 /nfs/dbraw/zinc/10/02/37/1194100237.db2.gz DFFSSDJHAXIBBG-UHFFFAOYSA-N 2 0 381.908 0.385 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CCO)CC1)c1ccc2ccccc2c1 ZINC000419765894 1194101521 /nfs/dbraw/zinc/10/15/21/1194101521.db2.gz RHYCMBVHVUWJKG-HXUWFJFHSA-N 2 0 398.507 0.776 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419764207 1194101543 /nfs/dbraw/zinc/10/15/43/1194101543.db2.gz VURHRHAISDDDRJ-CJNGLKHVSA-N 2 0 380.464 0.603 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419768633 1194102326 /nfs/dbraw/zinc/10/23/26/1194102326.db2.gz CTUMLGVTUUTLHO-JKSUJKDBSA-N 2 0 391.520 0.137 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419801685 1194106104 /nfs/dbraw/zinc/10/61/04/1194106104.db2.gz BNOUTJDNERXCQL-YJBOKZPZSA-N 2 0 376.501 0.920 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419850363 1194115523 /nfs/dbraw/zinc/11/55/23/1194115523.db2.gz FXLBGBJTNNPMGJ-MJGOQNOKSA-N 2 0 387.528 0.177 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000419838247 1194117784 /nfs/dbraw/zinc/11/77/84/1194117784.db2.gz XNUIYCKWJPUKQN-SFHVURJKSA-N 2 0 389.544 0.364 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)NCCCC[NH3+])CC1)Cc1ccccc1 ZINC000419837346 1194118318 /nfs/dbraw/zinc/11/83/18/1194118318.db2.gz ZQLBHJGTLZBYSD-UHFFFAOYSA-N 2 0 375.517 0.118 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419845100 1194119785 /nfs/dbraw/zinc/11/97/85/1194119785.db2.gz PJKZIGRBIFAYFP-QRQLOZEOSA-N 2 0 393.576 0.650 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419846176 1194120235 /nfs/dbraw/zinc/12/02/35/1194120235.db2.gz PDRRHKZQFVULGE-IAGOWNOFSA-N 2 0 379.549 0.262 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419856554 1194122536 /nfs/dbraw/zinc/12/25/36/1194122536.db2.gz JBZKNKHIAKEUOA-SOLBZPMBSA-N 2 0 380.533 0.450 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000419857410 1194123068 /nfs/dbraw/zinc/12/30/68/1194123068.db2.gz KEMDQCZEBVDWOB-QGZVFWFLSA-N 2 0 376.501 0.701 20 0 GCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419867905 1194126657 /nfs/dbraw/zinc/12/66/57/1194126657.db2.gz LEJSSCFTVCIHDP-UHFFFAOYSA-N 2 0 389.544 0.555 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419866768 1194126864 /nfs/dbraw/zinc/12/68/64/1194126864.db2.gz ASOVPMSYDCXZNR-HKUYNNGSSA-N 2 0 394.560 0.842 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1 ZINC000419869790 1194127390 /nfs/dbraw/zinc/12/73/90/1194127390.db2.gz JVJGNNLBMOBAEG-QZHFEQFPSA-N 2 0 388.512 0.665 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1 ZINC000419869788 1194127493 /nfs/dbraw/zinc/12/74/93/1194127493.db2.gz JVJGNNLBMOBAEG-FCLVOEFKSA-N 2 0 388.512 0.665 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000419875345 1194128904 /nfs/dbraw/zinc/12/89/04/1194128904.db2.gz DWIABKMIBQTHQU-ZYSHUDEJSA-N 2 0 388.512 0.667 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1)CC(C)C ZINC000419880050 1194131244 /nfs/dbraw/zinc/13/12/44/1194131244.db2.gz ZSPHQFGUOXDIPU-UHFFFAOYSA-N 2 0 395.592 0.614 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419880145 1194131394 /nfs/dbraw/zinc/13/13/94/1194131394.db2.gz ZXCMBILPQLJIRJ-QZTJIDSGSA-N 2 0 381.565 0.272 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000419905692 1194136473 /nfs/dbraw/zinc/13/64/73/1194136473.db2.gz WIFWBZLNTNTMAA-MOPGFXCFSA-N 2 0 388.512 0.811 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000419903026 1194137491 /nfs/dbraw/zinc/13/74/91/1194137491.db2.gz URCRJIBRPFQDAS-OALUTQOASA-N 2 0 388.512 0.811 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419913638 1194137988 /nfs/dbraw/zinc/13/79/88/1194137988.db2.gz PJKZIGRBIFAYFP-YTQUADARSA-N 3 0 393.576 0.650 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419918618 1194138671 /nfs/dbraw/zinc/13/86/71/1194138671.db2.gz UTLQQZPCLULZEA-AWEZNQCLSA-N 2 0 382.455 0.971 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419950402 1194143077 /nfs/dbraw/zinc/14/30/77/1194143077.db2.gz MGSWNXZRDAAVDE-GVDBMIGSSA-N 2 0 382.549 0.696 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419956384 1194144061 /nfs/dbraw/zinc/14/40/61/1194144061.db2.gz ALGXWXVMFFUIDX-MSOLQXFVSA-N 2 0 382.549 0.970 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419960300 1194148021 /nfs/dbraw/zinc/14/80/21/1194148021.db2.gz WGAFXBDYQDYCJI-AEFFLSMTSA-N 2 0 375.517 0.866 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419964233 1194148722 /nfs/dbraw/zinc/14/87/22/1194148722.db2.gz WZODVKCWBZBCON-KBAYOESNSA-N 2 0 381.565 0.493 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)CC1 ZINC000419966783 1194149046 /nfs/dbraw/zinc/14/90/46/1194149046.db2.gz MCZSVEWXQXGNDJ-ZWKOTPCHSA-N 2 0 379.549 0.249 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCCCC1 ZINC000419969036 1194149613 /nfs/dbraw/zinc/14/96/13/1194149613.db2.gz REVDZNALBFTBDH-GOSISDBHSA-N 2 0 380.533 0.581 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419973242 1194150082 /nfs/dbraw/zinc/15/00/82/1194150082.db2.gz HKFCZDHZCGBDHC-YTQUADARSA-N 3 0 395.592 0.754 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419978618 1194151437 /nfs/dbraw/zinc/15/14/37/1194151437.db2.gz OLFGUTIDISBOLK-FGTMMUONSA-N 2 0 381.565 0.493 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419996062 1194154584 /nfs/dbraw/zinc/15/45/84/1194154584.db2.gz MYAGYUYLVRQAEV-BPQIPLTHSA-N 2 0 381.565 0.636 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420000279 1194155471 /nfs/dbraw/zinc/15/54/71/1194155471.db2.gz SXJZYJBZRHNPOZ-WAOWUJCRSA-N 2 0 388.512 0.325 20 0 GCADRP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420024087 1194158135 /nfs/dbraw/zinc/15/81/35/1194158135.db2.gz AEIGIJWNTMSHTI-GUDVDZBRSA-N 2 0 393.576 0.636 20 0 GCADRP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420024089 1194158287 /nfs/dbraw/zinc/15/82/87/1194158287.db2.gz AEIGIJWNTMSHTI-OTWHNJEPSA-N 2 0 393.576 0.636 20 0 GCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420025335 1194159126 /nfs/dbraw/zinc/15/91/26/1194159126.db2.gz ZECCZUXHGYBCJP-SJLPKXTDSA-N 2 0 380.533 0.724 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420027705 1194159401 /nfs/dbraw/zinc/15/94/01/1194159401.db2.gz DHSITTOJVJXOMP-DOTOQJQBSA-N 2 0 398.548 0.565 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000420032410 1194160812 /nfs/dbraw/zinc/16/08/12/1194160812.db2.gz HYIRBRRKGFINLP-VBNZEHGJSA-N 2 0 380.464 0.774 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420017865 1194162663 /nfs/dbraw/zinc/16/26/63/1194162663.db2.gz OOQAWXARJNZBQL-SJLPKXTDSA-N 2 0 382.549 0.970 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000420017253 1194162781 /nfs/dbraw/zinc/16/27/81/1194162781.db2.gz NYTQGNTULABTAE-HOCLYGCPSA-N 2 0 375.473 0.373 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420062323 1194165057 /nfs/dbraw/zinc/16/50/57/1194165057.db2.gz BYNRQSWHVUBABJ-SFHVURJKSA-N 2 0 382.549 0.970 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420041920 1194166793 /nfs/dbraw/zinc/16/67/93/1194166793.db2.gz MXWQFHMDVNSEMJ-SFHVURJKSA-N 2 0 394.560 0.986 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420044040 1194167672 /nfs/dbraw/zinc/16/76/72/1194167672.db2.gz OZLPTOVYWODBGB-OGWHTMIXSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000420046325 1194168157 /nfs/dbraw/zinc/16/81/57/1194168157.db2.gz BNCZYPOKIADHPA-CRAIPNDOSA-N 2 0 379.549 0.247 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000420055085 1194170978 /nfs/dbraw/zinc/17/09/78/1194170978.db2.gz LPVCONLKUJMXNQ-IBGZPJMESA-N 2 0 386.496 0.992 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420055166 1194170987 /nfs/dbraw/zinc/17/09/87/1194170987.db2.gz HQMDVRGUYFNVLU-FUHWJXTLSA-N 2 0 388.512 0.950 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420055382 1194171025 /nfs/dbraw/zinc/17/10/25/1194171025.db2.gz GNHYXYKCPDKFCK-RVKKMQEKSA-N 2 0 380.533 0.578 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000420074897 1194173177 /nfs/dbraw/zinc/17/31/77/1194173177.db2.gz RDWIGZPLESSJFP-LJQANCHMSA-N 2 0 394.560 0.971 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)c1 ZINC000420074934 1194173228 /nfs/dbraw/zinc/17/32/28/1194173228.db2.gz RKHVRIPYYGHVNE-MRXNPFEDSA-N 2 0 375.473 0.373 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C[C@@H](C)O1 ZINC000420082491 1194174350 /nfs/dbraw/zinc/17/43/50/1194174350.db2.gz JMHSDINNHZCIAB-MDZRGWNJSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@]1(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC[NH2+]C1 ZINC000420107130 1194180034 /nfs/dbraw/zinc/18/00/34/1194180034.db2.gz SPROQGBRVAQNEB-NRFANRHFSA-N 2 0 394.560 0.843 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420111494 1194181398 /nfs/dbraw/zinc/18/13/98/1194181398.db2.gz CSZDCFCTOYINLA-AEFFLSMTSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420090671 1194182605 /nfs/dbraw/zinc/18/26/05/1194182605.db2.gz DXVZNXQJSIVOKX-LVCYWYKZSA-N 2 0 393.576 0.509 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)CC1 ZINC000420091069 1194182629 /nfs/dbraw/zinc/18/26/29/1194182629.db2.gz UQXJFHOBARZXTJ-LJQANCHMSA-N 2 0 393.576 0.637 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420133998 1194183978 /nfs/dbraw/zinc/18/39/78/1194183978.db2.gz DPILEYPXLWBUDG-IRXDYDNUSA-N 2 0 392.544 0.760 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420134544 1194184225 /nfs/dbraw/zinc/18/42/25/1194184225.db2.gz FLAZUCWBACPZKX-UHFFFAOYSA-N 2 0 380.533 0.619 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420115510 1194185241 /nfs/dbraw/zinc/18/52/41/1194185241.db2.gz FMYTYCMYTJGLEL-KSZLIROESA-N 2 0 381.565 0.637 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000420120357 1194187311 /nfs/dbraw/zinc/18/73/11/1194187311.db2.gz KNJBRVVQZGLOQL-KRWDZBQOSA-N 2 0 381.565 0.496 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000420133583 1194190695 /nfs/dbraw/zinc/19/06/95/1194190695.db2.gz TYPPGHIIWWSJKX-RDJZCZTQSA-N 2 0 376.501 0.842 20 0 GCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420162978 1194191683 /nfs/dbraw/zinc/19/16/83/1194191683.db2.gz JRHRQZFLLAYUSA-IRXDYDNUSA-N 2 0 392.544 0.760 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420154919 1194195041 /nfs/dbraw/zinc/19/50/41/1194195041.db2.gz CPRPQTRMQXPJSV-WBVHZDCISA-N 2 0 382.549 0.432 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1C1CC[NH+](C)CC1 ZINC000420154510 1194195124 /nfs/dbraw/zinc/19/51/24/1194195124.db2.gz CEYIBOIIYGFPBS-AEFFLSMTSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000501586426 1194196015 /nfs/dbraw/zinc/19/60/15/1194196015.db2.gz FMDVZPYAOMCLBV-HOTGVXAUSA-N 2 0 382.549 0.696 20 0 GCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420179562 1194196033 /nfs/dbraw/zinc/19/60/33/1194196033.db2.gz BVBGFILJTSTEFI-LJQANCHMSA-N 2 0 390.528 0.852 20 0 GCADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420178888 1194196122 /nfs/dbraw/zinc/19/61/22/1194196122.db2.gz BFRHEMUAPOTNBC-MOPGFXCFSA-N 2 0 388.512 0.604 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000420179850 1194196677 /nfs/dbraw/zinc/19/66/77/1194196677.db2.gz GQEAKUXLYSJUEU-UHFFFAOYSA-N 2 0 376.501 0.462 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000420182558 1194197334 /nfs/dbraw/zinc/19/73/34/1194197334.db2.gz FNGWDUHMRBVNNL-ROUUACIJSA-N 2 0 380.533 0.596 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420186099 1194199080 /nfs/dbraw/zinc/19/90/80/1194199080.db2.gz PSYKULHVABOENH-IEBWSBKVSA-N 2 0 390.528 0.850 20 0 GCADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261814882 1194199190 /nfs/dbraw/zinc/19/91/90/1194199190.db2.gz JVONRHFWXKRKAD-NXHRZFHOSA-N 2 0 388.516 0.496 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171513 1194200002 /nfs/dbraw/zinc/20/00/02/1194200002.db2.gz UBUNXGBJBRMKAN-KRWDZBQOSA-N 2 0 381.565 0.365 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420170239 1194200049 /nfs/dbraw/zinc/20/00/49/1194200049.db2.gz XDZDDQBSPFZPMG-HDICACEKSA-N 2 0 391.560 0.429 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420174198 1194201665 /nfs/dbraw/zinc/20/16/65/1194201665.db2.gz YGOCNDHHQJWHSF-DOTOQJQBSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000420199199 1194202661 /nfs/dbraw/zinc/20/26/61/1194202661.db2.gz DNAWZFUMCNWMCX-IRXDYDNUSA-N 2 0 388.512 0.732 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(F)(F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420202164 1194203718 /nfs/dbraw/zinc/20/37/18/1194203718.db2.gz IURLQLVVPUKZCP-UHFFFAOYSA-N 2 0 380.439 0.964 20 0 GCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C2)CC1 ZINC000420187110 1194205822 /nfs/dbraw/zinc/20/58/22/1194205822.db2.gz LSWIHVUQBQNAEM-QZTJIDSGSA-N 2 0 380.533 0.452 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420192648 1194207564 /nfs/dbraw/zinc/20/75/64/1194207564.db2.gz QXDVKDCSJYECMB-PKOBYXMFSA-N 2 0 388.512 0.604 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501610633 1194211735 /nfs/dbraw/zinc/21/17/35/1194211735.db2.gz FCBIHIIXIKBKMJ-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000420210711 1194213006 /nfs/dbraw/zinc/21/30/06/1194213006.db2.gz SLQKXRZHFPNIBV-OGWHTMIXSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000501647451 1194216312 /nfs/dbraw/zinc/21/63/12/1194216312.db2.gz WVQVPAXYYZEDBQ-BFYDXBDKSA-N 2 0 378.517 0.345 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501635165 1194216552 /nfs/dbraw/zinc/21/65/52/1194216552.db2.gz FTUNWJAIZOCCSJ-SJORKVTESA-N 2 0 380.533 0.404 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501651816 1194218643 /nfs/dbraw/zinc/21/86/43/1194218643.db2.gz YLEVNJDUKWASIQ-AEFFLSMTSA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)N(CCCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)S(C)(=O)=O ZINC000420339576 1194222326 /nfs/dbraw/zinc/22/23/26/1194222326.db2.gz QUFVCJNTRZISQQ-QGZVFWFLSA-N 2 0 388.578 0.627 20 0 GCADRP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000420347470 1194222338 /nfs/dbraw/zinc/22/23/38/1194222338.db2.gz GUVIBJZWOQVQQH-FUHWJXTLSA-N 2 0 390.528 0.731 20 0 GCADRP C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420399514 1194227056 /nfs/dbraw/zinc/22/70/56/1194227056.db2.gz BSOJMSRHSAZKSQ-LBPRGKRZSA-N 2 0 378.429 0.280 20 0 GCADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000982961127 1194227658 /nfs/dbraw/zinc/22/76/58/1194227658.db2.gz NRPVVSUJDYXBBQ-BRSBDYLESA-N 2 0 392.544 0.402 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000420453403 1194230431 /nfs/dbraw/zinc/23/04/31/1194230431.db2.gz KEQIKRCEIUWYNF-AWEZNQCLSA-N 2 0 389.493 0.929 20 0 GCADRP CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000502581307 1194338458 /nfs/dbraw/zinc/33/84/58/1194338458.db2.gz LYVMOEDKUJVRMH-KRWDZBQOSA-N 2 0 390.594 0.780 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652726980 1194351817 /nfs/dbraw/zinc/35/18/17/1194351817.db2.gz XODAKTCLSDTQNC-BSDSXHPESA-N 2 0 380.533 0.674 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000422111725 1194392500 /nfs/dbraw/zinc/39/25/00/1194392500.db2.gz DKNAXDIXBZBHBW-ZHALLVOQSA-N 2 0 394.560 0.887 20 0 GCADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000503183731 1194403696 /nfs/dbraw/zinc/40/36/96/1194403696.db2.gz UXVRUPNYNJJXRD-JKSUJKDBSA-N 2 0 390.532 0.924 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC1=O ZINC000271765794 1194411198 /nfs/dbraw/zinc/41/11/98/1194411198.db2.gz PROYYJPVFIUYBB-KRWDZBQOSA-N 2 0 388.512 0.992 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000272764465 1194498758 /nfs/dbraw/zinc/49/87/58/1194498758.db2.gz LGDTYPFJOYJHBV-MOPGFXCFSA-N 2 0 376.501 0.773 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000273058409 1194534969 /nfs/dbraw/zinc/53/49/69/1194534969.db2.gz WZQREWXSSRINMM-LJQANCHMSA-N 2 0 378.517 0.973 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC2)CC1 ZINC000422273097 1194597792 /nfs/dbraw/zinc/59/77/92/1194597792.db2.gz ULNMZXRDTCOXBO-QGZVFWFLSA-N 2 0 381.565 0.461 20 0 GCADRP C[C@@H]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000422288377 1194603804 /nfs/dbraw/zinc/60/38/04/1194603804.db2.gz UOIHTUJSAYWSBJ-SJLPKXTDSA-N 2 0 389.500 0.394 20 0 GCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422299934 1194608753 /nfs/dbraw/zinc/60/87/53/1194608753.db2.gz SVIDNBCJWPRTMC-SFHVURJKSA-N 2 0 395.592 0.852 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000422393652 1194634394 /nfs/dbraw/zinc/63/43/94/1194634394.db2.gz FLRRHXLYSVPVRO-MRXNPFEDSA-N 2 0 377.489 0.191 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000422425959 1194637913 /nfs/dbraw/zinc/63/79/13/1194637913.db2.gz NKCZZWCTHAUPFT-MJGOQNOKSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422459468 1194649878 /nfs/dbraw/zinc/64/98/78/1194649878.db2.gz YTKUPIPSHKJXKY-INIZCTEOSA-N 2 0 380.533 0.689 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000652729595 1194666388 /nfs/dbraw/zinc/66/63/88/1194666388.db2.gz LJUHOAPTFUYQTG-OKYOBFRVSA-N 2 0 392.544 0.676 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCN1C1CC[NH+](C)CC1 ZINC000422624148 1194677835 /nfs/dbraw/zinc/67/78/35/1194677835.db2.gz BBCSBWFNRHTSBG-AOCRQIFASA-N 2 0 393.576 0.602 20 0 GCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422642513 1194681129 /nfs/dbraw/zinc/68/11/29/1194681129.db2.gz ZMIUTWBFIVGNEY-BFYDXBDKSA-N 2 0 396.557 0.688 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1O ZINC000664324208 1194685392 /nfs/dbraw/zinc/68/53/92/1194685392.db2.gz VFWBRGDVGDIZJQ-OALUTQOASA-N 2 0 376.501 0.460 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000414693908 1194699438 /nfs/dbraw/zinc/69/94/38/1194699438.db2.gz RXQJJEWCHFLGLM-MRXNPFEDSA-N 2 0 376.476 0.710 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000414693907 1194699536 /nfs/dbraw/zinc/69/95/36/1194699536.db2.gz RXQJJEWCHFLGLM-INIZCTEOSA-N 2 0 376.476 0.710 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645275982 1194700884 /nfs/dbraw/zinc/70/08/84/1194700884.db2.gz GCVTYSLBZYCJLL-UHFFFAOYSA-N 2 0 395.548 0.435 20 0 GCADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422908598 1194706983 /nfs/dbraw/zinc/70/69/83/1194706983.db2.gz DJBGJSRCWUMUQM-MOPGFXCFSA-N 2 0 388.512 0.895 20 0 GCADRP C[N@H+](CCN1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1)Cc1ccccc1 ZINC000414704578 1194708981 /nfs/dbraw/zinc/70/89/81/1194708981.db2.gz WERDKJHCTNQQHR-OAQYLSRUSA-N 3 0 387.572 0.933 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000422975339 1194714836 /nfs/dbraw/zinc/71/48/36/1194714836.db2.gz SOCYCDZOYQBFRP-NEWSRXKRSA-N 2 0 388.512 0.810 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC12CCOCC2 ZINC000423059669 1194722850 /nfs/dbraw/zinc/72/28/50/1194722850.db2.gz MMQYPCWYZFPLNZ-KRWDZBQOSA-N 2 0 392.544 0.677 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423163773 1194734614 /nfs/dbraw/zinc/73/46/14/1194734614.db2.gz NICBUUWEXXDIQS-HSALFYBXSA-N 2 0 399.539 0.962 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423167273 1194735034 /nfs/dbraw/zinc/73/50/34/1194735034.db2.gz RWPNIIOGVIZHTJ-CEXWTWQISA-N 2 0 385.512 0.572 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423170110 1194735111 /nfs/dbraw/zinc/73/51/11/1194735111.db2.gz XNCWXESIXZCKQY-SFHVURJKSA-N 2 0 375.517 0.962 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423170896 1194735637 /nfs/dbraw/zinc/73/56/37/1194735637.db2.gz NAXAQFGWTZAIOT-QGZVFWFLSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423208537 1194736593 /nfs/dbraw/zinc/73/65/93/1194736593.db2.gz YYIBUEGOJSMIFU-SFHVURJKSA-N 2 0 376.501 0.196 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423209740 1194737052 /nfs/dbraw/zinc/73/70/52/1194737052.db2.gz VLLOMLDHNUWWMM-CQSZACIVSA-N 2 0 384.427 0.041 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423200294 1194738577 /nfs/dbraw/zinc/73/85/77/1194738577.db2.gz FJHPNSOBQABMIM-IAGOWNOFSA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423199491 1194738591 /nfs/dbraw/zinc/73/85/91/1194738591.db2.gz BQNPDQKVJUJDCY-JKSUJKDBSA-N 2 0 394.466 0.923 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423202622 1194739075 /nfs/dbraw/zinc/73/90/75/1194739075.db2.gz BENLTFVHKCLTCY-MHORFTMASA-N 2 0 379.549 0.199 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000423204698 1194739778 /nfs/dbraw/zinc/73/97/78/1194739778.db2.gz OOWJEXAMOSLVGK-BZLDKRAPSA-N 2 0 394.560 0.778 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423221280 1194741019 /nfs/dbraw/zinc/74/10/19/1194741019.db2.gz ZQFSKZYXIHBRMB-GBESFXJTSA-N 2 0 388.512 0.509 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423218776 1194741052 /nfs/dbraw/zinc/74/10/52/1194741052.db2.gz WAVRXAUISCOZQK-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000423262257 1194742728 /nfs/dbraw/zinc/74/27/28/1194742728.db2.gz URJYORUFWDLURS-INIZCTEOSA-N 2 0 377.489 0.571 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423259723 1194744240 /nfs/dbraw/zinc/74/42/40/1194744240.db2.gz FRPKOEZCFDWRLS-SFHVURJKSA-N 2 0 382.549 0.651 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)CC2)c1 ZINC000423257746 1194744248 /nfs/dbraw/zinc/74/42/48/1194744248.db2.gz KVXODUMMGDMUGA-AWEZNQCLSA-N 2 0 375.473 0.325 20 0 GCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)CC2)CC1 ZINC000423304185 1194748629 /nfs/dbraw/zinc/74/86/29/1194748629.db2.gz NLGZBJKWRGLVBE-ACBHZAAOSA-N 2 0 391.560 0.215 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C[C@H]21 ZINC000423372421 1194750341 /nfs/dbraw/zinc/75/03/41/1194750341.db2.gz GHFJDEFCIHRCEI-BRSBDYLESA-N 2 0 378.517 0.143 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423370749 1194751711 /nfs/dbraw/zinc/75/17/11/1194751711.db2.gz HCQNVKRRWGPQTP-PKOBYXMFSA-N 2 0 388.512 0.686 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423379937 1194752082 /nfs/dbraw/zinc/75/20/82/1194752082.db2.gz MITATKOSGHKWJS-FUHWJXTLSA-N 2 0 381.565 0.445 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423379940 1194752085 /nfs/dbraw/zinc/75/20/85/1194752085.db2.gz MITATKOSGHKWJS-WMZOPIPTSA-N 2 0 381.565 0.445 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423385393 1194752356 /nfs/dbraw/zinc/75/23/56/1194752356.db2.gz QWVKBHDFKADAQE-NEPXVJNWSA-N 2 0 391.560 0.199 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000423391554 1194752867 /nfs/dbraw/zinc/75/28/67/1194752867.db2.gz XBKWSPDFMMFXIR-JXXFODFXSA-N 2 0 379.549 0.057 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423397501 1194753661 /nfs/dbraw/zinc/75/36/61/1194753661.db2.gz SLZGZQPHPVDVFG-DLBZAZTESA-N 2 0 380.533 0.533 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423447435 1194755687 /nfs/dbraw/zinc/75/56/87/1194755687.db2.gz OZYSAPTUVIWZCW-GOSISDBHSA-N 2 0 398.548 0.160 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000423447904 1194755893 /nfs/dbraw/zinc/75/58/93/1194755893.db2.gz PGNXZZXXPZBWDQ-IEBWSBKVSA-N 2 0 394.560 0.781 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423450110 1194756139 /nfs/dbraw/zinc/75/61/39/1194756139.db2.gz SJFNYZOGABQMJI-FUHWJXTLSA-N 2 0 382.549 0.779 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000423450382 1194756179 /nfs/dbraw/zinc/75/61/79/1194756179.db2.gz SUDKPMNHXSMIQB-UHFFFAOYSA-N 2 0 394.560 0.795 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423432895 1194756766 /nfs/dbraw/zinc/75/67/66/1194756766.db2.gz BUADTNKJLAEREJ-FUHWJXTLSA-N 2 0 382.549 0.779 20 0 GCADRP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423438727 1194757269 /nfs/dbraw/zinc/75/72/69/1194757269.db2.gz HEGRZDGPSXYZDL-OAHLLOKOSA-N 2 0 393.557 0.942 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000423471244 1194758455 /nfs/dbraw/zinc/75/84/55/1194758455.db2.gz FDCQEAZSAVAQQO-DOTOQJQBSA-N 2 0 376.501 0.781 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423480312 1194759401 /nfs/dbraw/zinc/75/94/01/1194759401.db2.gz PGNTYOJYZIOMFB-MSOLQXFVSA-N 2 0 388.512 0.653 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423505651 1194760006 /nfs/dbraw/zinc/76/00/06/1194760006.db2.gz OQMCCCMQTCLYRD-LMMKCTJWSA-N 2 0 394.560 0.792 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)CC1 ZINC000423503892 1194760034 /nfs/dbraw/zinc/76/00/34/1194760034.db2.gz FNJLKTGYXBYPLC-HXUWFJFHSA-N 2 0 379.549 0.201 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000423486793 1194760398 /nfs/dbraw/zinc/76/03/98/1194760398.db2.gz WOTVLCYTAMBNSI-SFHVURJKSA-N 2 0 392.500 0.162 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000423485614 1194760426 /nfs/dbraw/zinc/76/04/26/1194760426.db2.gz VJEJEYHNBPGBFR-MSOLQXFVSA-N 2 0 388.512 0.653 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423531211 1194761380 /nfs/dbraw/zinc/76/13/80/1194761380.db2.gz XXEGBYZLVWUVAH-JQHSSLGASA-N 2 0 380.533 0.532 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423530890 1194761544 /nfs/dbraw/zinc/76/15/44/1194761544.db2.gz XOXFSSMGSNOIJE-DLBZAZTESA-N 2 0 382.549 0.779 20 0 GCADRP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530539 1194761619 /nfs/dbraw/zinc/76/16/19/1194761619.db2.gz PPGBOLQLGSYKTK-ZWKOTPCHSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423511506 1194762022 /nfs/dbraw/zinc/76/20/22/1194762022.db2.gz TYXUIKWRLNFSRM-MTNOOBJLSA-N 2 0 394.560 0.920 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423519471 1194762581 /nfs/dbraw/zinc/76/25/81/1194762581.db2.gz JITZEEKWFBJYJY-QXAKKESOSA-N 2 0 394.560 0.922 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423523417 1194763085 /nfs/dbraw/zinc/76/30/85/1194763085.db2.gz NIGVAJVHXVGCGH-IAGOWNOFSA-N 2 0 382.549 0.922 20 0 GCADRP C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523049 1194763111 /nfs/dbraw/zinc/76/31/11/1194763111.db2.gz MVTNZEJIROWCBW-RDJZCZTQSA-N 2 0 384.546 0.556 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423561289 1194764347 /nfs/dbraw/zinc/76/43/47/1194764347.db2.gz GHDBWJHOFJYSTN-FQEVSTJZSA-N 2 0 376.501 0.150 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C[C@H]21 ZINC000423590682 1194766858 /nfs/dbraw/zinc/76/68/58/1194766858.db2.gz GHFJDEFCIHRCEI-WNRNVDISSA-N 2 0 378.517 0.143 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423576790 1194769585 /nfs/dbraw/zinc/76/95/85/1194769585.db2.gz YWVQRALFNSZJIL-NRFANRHFSA-N 2 0 390.528 0.525 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000423638975 1194776544 /nfs/dbraw/zinc/77/65/44/1194776544.db2.gz BOGCULQDNFWOGD-ULQDDVLXSA-N 2 0 380.533 0.545 20 0 GCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423647515 1194776642 /nfs/dbraw/zinc/77/66/42/1194776642.db2.gz NCRDPJMCPGLRCG-UXHICEINSA-N 2 0 399.539 0.355 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000423651307 1194779317 /nfs/dbraw/zinc/77/93/17/1194779317.db2.gz LSFJADORFQYSSY-LLGFUMIMSA-N 2 0 388.512 0.291 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423650532 1194779408 /nfs/dbraw/zinc/77/94/08/1194779408.db2.gz QWRQAJVDMYWGAZ-LJQANCHMSA-N 2 0 387.528 0.212 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000423651306 1194779445 /nfs/dbraw/zinc/77/94/45/1194779445.db2.gz LSFJADORFQYSSY-CBGDNZLLSA-N 2 0 388.512 0.291 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423656124 1194780059 /nfs/dbraw/zinc/78/00/59/1194780059.db2.gz TZLWLNPYDQCDQO-VXNCWWDNSA-N 2 0 394.560 0.920 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423656120 1194780081 /nfs/dbraw/zinc/78/00/81/1194780081.db2.gz TZLWLNPYDQCDQO-MTNOOBJLSA-N 2 0 394.560 0.920 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423658002 1194780316 /nfs/dbraw/zinc/78/03/16/1194780316.db2.gz DYTJWOPTYWSJOH-SJLPKXTDSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423659216 1194780640 /nfs/dbraw/zinc/78/06/40/1194780640.db2.gz ZAHGXUYYCLIJSU-HGHGUNKESA-N 2 0 388.512 0.278 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423658198 1194780689 /nfs/dbraw/zinc/78/06/89/1194780689.db2.gz XIXBIAHZRLMSCB-KONPQCLYSA-N 2 0 380.533 0.530 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423663135 1194781047 /nfs/dbraw/zinc/78/10/47/1194781047.db2.gz OBRWHEZWLMEMMQ-IBGZPJMESA-N 2 0 394.560 0.938 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000423662925 1194781096 /nfs/dbraw/zinc/78/10/96/1194781096.db2.gz FYUFHUDTUCMJHP-MSOLQXFVSA-N 2 0 380.533 0.676 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423672302 1194781896 /nfs/dbraw/zinc/78/18/96/1194781896.db2.gz XYFHFAPEOBTDHF-UHFFFAOYSA-N 2 0 376.501 0.279 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423668600 1194782188 /nfs/dbraw/zinc/78/21/88/1194782188.db2.gz KGPURIKNDULJGV-MSOLQXFVSA-N 2 0 382.549 0.922 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423667615 1194782213 /nfs/dbraw/zinc/78/22/13/1194782213.db2.gz UULIZSLFECINIK-LJQANCHMSA-N 2 0 393.576 0.604 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)[C@H]1CC[NH2+]C1 ZINC000423667969 1194782255 /nfs/dbraw/zinc/78/22/55/1194782255.db2.gz VACIHBYYJBTFHE-HNNXBMFYSA-N 2 0 375.473 0.339 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[C@H](C[NH3+])C1 ZINC000423671291 1194782874 /nfs/dbraw/zinc/78/28/74/1194782874.db2.gz NGDMYDFXIKQVAS-GBESFXJTSA-N 2 0 394.560 0.922 20 0 GCADRP O=C(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423693288 1194783142 /nfs/dbraw/zinc/78/31/42/1194783142.db2.gz RVAVUAXKDSDFCM-ZRNYENFQSA-N 2 0 382.508 0.645 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423673891 1194784244 /nfs/dbraw/zinc/78/42/44/1194784244.db2.gz GYEULXHBYNPPMQ-YRXWBPOGSA-N 2 0 393.576 0.732 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423712079 1194787587 /nfs/dbraw/zinc/78/75/87/1194787587.db2.gz UWYFHBDZLKUFIS-UHFFFAOYSA-N 2 0 381.565 0.321 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423718244 1194788423 /nfs/dbraw/zinc/78/84/23/1194788423.db2.gz KXEIIZOVENLZGR-MJGOQNOKSA-N 2 0 387.528 0.211 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423724325 1194789298 /nfs/dbraw/zinc/78/92/98/1194789298.db2.gz GXXQOJOWUSIUHA-IAGOWNOFSA-N 2 0 398.548 0.158 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423727446 1194790015 /nfs/dbraw/zinc/79/00/15/1194790015.db2.gz IZKFPBYALGMAFA-FUHWJXTLSA-N 2 0 382.549 0.922 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423744670 1194791071 /nfs/dbraw/zinc/79/10/71/1194791071.db2.gz MXBZHRRHYWZEME-JENIJYKNSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[C@H]1C[NH3+] ZINC000423747011 1194791595 /nfs/dbraw/zinc/79/15/95/1194791595.db2.gz YTGKSFZARHLYJR-MSOLQXFVSA-N 2 0 393.576 0.448 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423749622 1194791842 /nfs/dbraw/zinc/79/18/42/1194791842.db2.gz SYCWSZUPSAEHTP-OTWHNJEPSA-N 2 0 393.576 0.604 20 0 GCADRP O=S(=O)(c1ccccc1C[NH2+]CCCN1CC[NH2+]CC1)N1CCOCC1 ZINC000414786645 1194811090 /nfs/dbraw/zinc/81/10/90/1194811090.db2.gz XMPWRMZFMTZEDT-UHFFFAOYSA-N 2 0 382.530 0.092 20 0 GCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424491870 1194816548 /nfs/dbraw/zinc/81/65/48/1194816548.db2.gz GEMDBZITHICROS-SJORKVTESA-N 2 0 394.560 0.528 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC([N@@H+]3CCO[C@@H](C)C3)CC1)CC[NH2+]CC2 ZINC000424494705 1194817197 /nfs/dbraw/zinc/81/71/97/1194817197.db2.gz OGAVYYASMCBPRK-IRXDYDNUSA-N 2 0 392.544 0.689 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[NH2+]CC2 ZINC000424493654 1194817263 /nfs/dbraw/zinc/81/72/63/1194817263.db2.gz LJWRFQQQFWVWPF-QGZVFWFLSA-N 2 0 381.565 0.319 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H](c3cccs3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424506769 1194818922 /nfs/dbraw/zinc/81/89/22/1194818922.db2.gz MJTYDXGKKHVDGK-ZNMIVQPWSA-N 2 0 390.513 0.154 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CC[NH2+]CC2 ZINC000424509816 1194819209 /nfs/dbraw/zinc/81/92/09/1194819209.db2.gz QTBRSFLIPMOORI-DLBZAZTESA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424520839 1194821385 /nfs/dbraw/zinc/82/13/85/1194821385.db2.gz LBKJITOLXNFQGA-BPQIPLTHSA-N 2 0 390.532 0.302 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H](c3ccccc3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424524714 1194822046 /nfs/dbraw/zinc/82/20/46/1194822046.db2.gz QCHDDPZXDPORHW-RCCFBDPRSA-N 2 0 384.484 0.092 20 0 GCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548230 1194823617 /nfs/dbraw/zinc/82/36/17/1194823617.db2.gz KXTAZWMGLDZONM-IFCWYPFCSA-N 2 0 390.532 0.156 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000414810197 1194828739 /nfs/dbraw/zinc/82/87/39/1194828739.db2.gz HNNOOQKKFIGKQR-MRXNPFEDSA-N 2 0 391.516 0.653 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000414824001 1194832148 /nfs/dbraw/zinc/83/21/48/1194832148.db2.gz JLAGELCASOIUQP-INIZCTEOSA-N 2 0 390.484 0.533 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514588139 1194885713 /nfs/dbraw/zinc/88/57/13/1194885713.db2.gz OJDGDCUFMIMJSB-UHFFFAOYSA-N 2 0 377.489 0.961 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000514693985 1194895417 /nfs/dbraw/zinc/89/54/17/1194895417.db2.gz UKWTYYLCXXIZMC-HKUYNNGSSA-N 2 0 391.560 0.380 20 0 GCADRP [NH3+]C1(CNC(=O)c2cn([C@@H]3CCOC3)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000514725043 1194897894 /nfs/dbraw/zinc/89/78/94/1194897894.db2.gz IWKZDGQYGDXZFY-QGZVFWFLSA-N 2 0 384.484 0.963 20 0 GCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000514747042 1194902843 /nfs/dbraw/zinc/90/28/43/1194902843.db2.gz MRDSVOMHUDASJJ-UHFFFAOYSA-N 2 0 380.533 0.737 20 0 GCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1=O ZINC000425312810 1194907390 /nfs/dbraw/zinc/90/73/90/1194907390.db2.gz HEHKQAMRTBPZGK-GOSISDBHSA-N 2 0 376.501 0.657 20 0 GCADRP CCn1nccc1C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000515042767 1194941172 /nfs/dbraw/zinc/94/11/72/1194941172.db2.gz BEYQQSQKCFTOSG-UHFFFAOYSA-N 2 0 392.548 0.561 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C[C@@H]21 ZINC000515053393 1194941993 /nfs/dbraw/zinc/94/19/93/1194941993.db2.gz XKLBJASCJRCFMD-FGTMMUONSA-N 2 0 378.517 0.143 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000515051309 1194942165 /nfs/dbraw/zinc/94/21/65/1194942165.db2.gz WJSMGAJTSKFQMT-UHFFFAOYSA-N 2 0 382.549 0.843 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000515136134 1194950553 /nfs/dbraw/zinc/95/05/53/1194950553.db2.gz HQHKTWYPCIGBPW-LJQANCHMSA-N 2 0 394.560 0.746 20 0 GCADRP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000515166551 1194951489 /nfs/dbraw/zinc/95/14/89/1194951489.db2.gz UORBQYJJLICSII-WBVHZDCISA-N 2 0 387.480 0.734 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000425403764 1194959198 /nfs/dbraw/zinc/95/91/98/1194959198.db2.gz ONYKZGJTQDZTCT-INDMIFKZSA-N 2 0 391.560 0.023 20 0 GCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH+](Cc5ccccc5)[C@@H]4C3)C[C@@H]21 ZINC000425406929 1194963253 /nfs/dbraw/zinc/96/32/53/1194963253.db2.gz UPDRPMPGEOOSJU-FUMNGEBKSA-N 2 0 382.508 0.882 20 0 GCADRP CCN1CCC([NH+]2CCC(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000515310908 1194967730 /nfs/dbraw/zinc/96/77/30/1194967730.db2.gz ZHBLEQYDNPGPLD-IBGZPJMESA-N 2 0 393.576 0.639 20 0 GCADRP COc1ccnc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000425432286 1194976941 /nfs/dbraw/zinc/97/69/41/1194976941.db2.gz HOPGSAUSNGKKMC-UHFFFAOYSA-N 2 0 385.472 0.892 20 0 GCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000425438808 1194979208 /nfs/dbraw/zinc/97/92/08/1194979208.db2.gz DLFSBHWNVJJBEA-INIZCTEOSA-N 2 0 383.537 0.326 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000515523259 1194982617 /nfs/dbraw/zinc/98/26/17/1194982617.db2.gz MQBCRKNDRVUHED-IRXDYDNUSA-N 2 0 379.549 0.864 20 0 GCADRP Cc1cccc(OCCNC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436057257 1194982668 /nfs/dbraw/zinc/98/26/68/1194982668.db2.gz FXXHAQLFPLEJQE-QGZVFWFLSA-N 2 0 376.501 0.810 20 0 GCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000425461861 1194984618 /nfs/dbraw/zinc/98/46/18/1194984618.db2.gz CTRUZDSWKYUYSP-KRWDZBQOSA-N 2 0 397.564 0.681 20 0 GCADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000414878280 1194985620 /nfs/dbraw/zinc/98/56/20/1194985620.db2.gz ZADSHEKQADGHQS-OAQYLSRUSA-N 2 0 382.464 0.837 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000505773969 1194990611 /nfs/dbraw/zinc/99/06/11/1194990611.db2.gz ULVIBRRBCCXSCS-INIZCTEOSA-N 2 0 395.548 0.972 20 0 GCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664540615 1194995886 /nfs/dbraw/zinc/99/58/86/1194995886.db2.gz ZCBQGKUCOKLCKI-LJQANCHMSA-N 2 0 381.565 0.909 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000516071053 1195020435 /nfs/dbraw/zinc/02/04/35/1195020435.db2.gz BFHKJSFNLWNPLK-GOSISDBHSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000516857942 1195105871 /nfs/dbraw/zinc/10/58/71/1195105871.db2.gz QYBIYCQFPSRXNC-KURKYZTESA-N 2 0 388.512 0.653 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000516965143 1195120440 /nfs/dbraw/zinc/12/04/40/1195120440.db2.gz KZTZJNKUTNKEDM-DLBZAZTESA-N 2 0 378.521 0.746 20 0 GCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000517047185 1195130213 /nfs/dbraw/zinc/13/02/13/1195130213.db2.gz OQBOUZKQNQSLGG-GOSISDBHSA-N 2 0 381.565 0.461 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000549993215 1195140781 /nfs/dbraw/zinc/14/07/81/1195140781.db2.gz MZIOHPPHHTWPGJ-GOSISDBHSA-N 2 0 382.549 0.935 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000557693729 1195149264 /nfs/dbraw/zinc/14/92/64/1195149264.db2.gz DYCUMYHGMGCKHN-UHFFFAOYSA-N 2 0 382.549 0.938 20 0 GCADRP COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414912998 1195149544 /nfs/dbraw/zinc/14/95/44/1195149544.db2.gz ZFUSURSDFLTPFS-KBPBESRZSA-N 2 0 376.457 0.741 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000517186882 1195150967 /nfs/dbraw/zinc/15/09/67/1195150967.db2.gz KSBWTIPNROVLJM-FHWLQOOXSA-N 2 0 393.576 0.317 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000517203249 1195155176 /nfs/dbraw/zinc/15/51/76/1195155176.db2.gz NAVWPNNGFVCNHP-INIZCTEOSA-N 2 0 378.517 0.324 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000664672821 1195183148 /nfs/dbraw/zinc/18/31/48/1195183148.db2.gz DIKOAAZXPXEKKU-INIZCTEOSA-N 2 0 376.505 0.621 20 0 GCADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@@H]1C ZINC000517525999 1195188648 /nfs/dbraw/zinc/18/86/48/1195188648.db2.gz CXBYRRFLIYISMG-DLBZAZTESA-N 2 0 380.533 0.377 20 0 GCADRP COC[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000438353491 1195211010 /nfs/dbraw/zinc/21/10/10/1195211010.db2.gz BRMNNRADOCIYAK-RZFLPCETSA-N 2 0 382.549 0.979 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000517755966 1195213666 /nfs/dbraw/zinc/21/36/66/1195213666.db2.gz AXKWLMJYFNGWCL-SJORKVTESA-N 2 0 382.574 0.908 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000550002351 1195220388 /nfs/dbraw/zinc/22/03/88/1195220388.db2.gz RVBOUYAWLPXCMQ-ZWKOTPCHSA-N 2 0 394.560 0.861 20 0 GCADRP CN1CCN(c2ncc(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)cn2)CC1 ZINC000414973646 1195274638 /nfs/dbraw/zinc/27/46/38/1195274638.db2.gz KPMXPARPDBRTIP-HNNXBMFYSA-N 2 0 387.454 0.154 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000518471174 1195293261 /nfs/dbraw/zinc/29/32/61/1195293261.db2.gz PNKAGLVCNLDNTR-SFHVURJKSA-N 2 0 395.548 0.293 20 0 GCADRP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000414998309 1195319692 /nfs/dbraw/zinc/31/96/92/1195319692.db2.gz ZNLLYXBEHAUBAJ-OAHLLOKOSA-N 2 0 391.438 0.989 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506640900 1195339019 /nfs/dbraw/zinc/33/90/19/1195339019.db2.gz CEYFXFXFKNMTTP-MRXNPFEDSA-N 2 0 383.537 0.339 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000519110447 1195370461 /nfs/dbraw/zinc/37/04/61/1195370461.db2.gz DUKRALUTIBIXCB-UHFFFAOYSA-N 2 0 386.493 0.824 20 0 GCADRP COc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)n1 ZINC000426548324 1195373425 /nfs/dbraw/zinc/37/34/25/1195373425.db2.gz MBWYOHUNBKCTNW-YYIAUSFCSA-N 2 0 387.532 0.801 20 0 GCADRP COc1nc(NC2CC[NH+](C3CC3)CC2)nc(NC2CC[NH+](C3CC3)CC2)n1 ZINC000426613259 1195395564 /nfs/dbraw/zinc/39/55/64/1195395564.db2.gz QSWZXDMPURVQSD-UHFFFAOYSA-N 2 0 387.532 0.801 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000550035654 1195418910 /nfs/dbraw/zinc/41/89/10/1195418910.db2.gz VKDVZFNREPRKSY-IRXDYDNUSA-N 2 0 394.560 0.935 20 0 GCADRP C[NH+]1CCC(CNC(=O)NCC2CC[NH+](C3CC3)CC2)(N2CCOCC2)CC1 ZINC000519527819 1195425632 /nfs/dbraw/zinc/42/56/32/1195425632.db2.gz OULWXSWVUWKRDJ-UHFFFAOYSA-N 2 0 393.576 0.957 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550096825 1195435245 /nfs/dbraw/zinc/43/52/45/1195435245.db2.gz LPKKOCQETDGRMH-KSZLIROESA-N 2 0 398.548 0.075 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000550133073 1195443755 /nfs/dbraw/zinc/44/37/55/1195443755.db2.gz JZUANYODOVUEPE-UHFFFAOYSA-N 2 0 395.548 0.036 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000519556675 1195445470 /nfs/dbraw/zinc/44/54/70/1195445470.db2.gz PCJKMOFIVAKSTN-WMZOPIPTSA-N 2 0 383.496 0.999 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550133416 1195445610 /nfs/dbraw/zinc/44/56/10/1195445610.db2.gz NZKSCJYAAQLKKV-HZPDHXFCSA-N 2 0 382.549 0.981 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000550152072 1195448388 /nfs/dbraw/zinc/44/83/88/1195448388.db2.gz BCWNVAGLWYLTKQ-UHFFFAOYSA-N 2 0 391.516 0.629 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000550284957 1195512928 /nfs/dbraw/zinc/51/29/28/1195512928.db2.gz ZISIGCPBVLGBJB-UHFFFAOYSA-N 2 0 381.565 0.367 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000519609646 1195532656 /nfs/dbraw/zinc/53/26/56/1195532656.db2.gz IOUXNRWEZSTRSO-SJLPKXTDSA-N 2 0 389.500 0.123 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)n2)CC1 ZINC000427397299 1195532873 /nfs/dbraw/zinc/53/28/73/1195532873.db2.gz GSGSOEQISAWEDR-UHFFFAOYSA-N 2 0 388.516 1.079 20 0 GCADRP CO[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000427467849 1195543235 /nfs/dbraw/zinc/54/32/35/1195543235.db2.gz XAZIKTWYMNDFBS-NNZMDNLPSA-N 2 0 378.517 0.487 20 0 GCADRP COC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)NC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000427496241 1195545837 /nfs/dbraw/zinc/54/58/37/1195545837.db2.gz VELUTEDSDBBYIP-JCGIZDLHSA-N 2 0 378.517 0.487 20 0 GCADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000550307006 1195556759 /nfs/dbraw/zinc/55/67/59/1195556759.db2.gz DCUQNYHNOFPFRS-UHFFFAOYSA-N 2 0 392.544 0.833 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000519734353 1195567238 /nfs/dbraw/zinc/56/72/38/1195567238.db2.gz YBVLCJZAVUWWQR-SJLPKXTDSA-N 2 0 380.533 0.545 20 0 GCADRP CCn1nccc1N1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000519856317 1195577838 /nfs/dbraw/zinc/57/78/38/1195577838.db2.gz PTDPQBYMQUXPTK-INIZCTEOSA-N 2 0 393.536 0.533 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000520285072 1195615979 /nfs/dbraw/zinc/61/59/79/1195615979.db2.gz KSRJDWLWDJOTJF-LPHOPBHVSA-N 2 0 392.544 0.689 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000550330280 1195634190 /nfs/dbraw/zinc/63/41/90/1195634190.db2.gz TWNCULAQCMHHEB-UHFFFAOYSA-N 2 0 395.592 0.901 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C ZINC000550348651 1195640593 /nfs/dbraw/zinc/64/05/93/1195640593.db2.gz QPNIHNFBXRLJHL-UHFFFAOYSA-N 2 0 395.592 0.896 20 0 GCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)C1 ZINC000550358459 1195643884 /nfs/dbraw/zinc/64/38/84/1195643884.db2.gz APWSYDFUKSBMMI-ROUUACIJSA-N 2 0 382.549 0.698 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000550362413 1195644272 /nfs/dbraw/zinc/64/42/72/1195644272.db2.gz NZJODYWFLBYRFT-IEBWSBKVSA-N 2 0 393.576 0.460 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000550380959 1195648639 /nfs/dbraw/zinc/64/86/39/1195648639.db2.gz CWONWWUUNUCLHC-GOSISDBHSA-N 2 0 395.592 0.754 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000550380855 1195648800 /nfs/dbraw/zinc/64/88/00/1195648800.db2.gz BJZVTUJMMLBMOD-QZTJIDSGSA-N 2 0 397.608 0.857 20 0 GCADRP C[NH+]1CC[C@@H]2CN(c3nc(C(N)=O)cc(N4CC[C@@H]5[C@H](CC[N@H+]5C)C4)n3)CC[C@H]21 ZINC000895020887 1195650531 /nfs/dbraw/zinc/65/05/31/1195650531.db2.gz CZLCGHPZDCSURS-JOCBIADPSA-N 2 0 399.543 0.636 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)N1CC[NH+](C)CC1 ZINC000550383623 1195651625 /nfs/dbraw/zinc/65/16/25/1195651625.db2.gz OHULIJYMTFQVNK-GOSISDBHSA-N 2 0 381.565 0.223 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550383322 1195651675 /nfs/dbraw/zinc/65/16/75/1195651675.db2.gz GMINURIGIKHILR-QYZOEREBSA-N 2 0 393.576 0.460 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976693 1195652388 /nfs/dbraw/zinc/65/23/88/1195652388.db2.gz SCGZUFIPUHNRIF-GJZGRUSLSA-N 2 0 380.514 0.984 20 0 GCADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000639024069 1195744753 /nfs/dbraw/zinc/74/47/53/1195744753.db2.gz NPVIROJINZJWLD-SJLPKXTDSA-N 2 0 386.496 0.331 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000550414366 1195756050 /nfs/dbraw/zinc/75/60/50/1195756050.db2.gz LBHFHLYDVYLSGI-UHFFFAOYSA-N 2 0 394.560 0.986 20 0 GCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)c2)CC1 ZINC000132093072 1195763051 /nfs/dbraw/zinc/76/30/51/1195763051.db2.gz MQPCKDAXIKAYFW-LJQANCHMSA-N 2 0 387.528 0.361 20 0 GCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000520620632 1195803929 /nfs/dbraw/zinc/80/39/29/1195803929.db2.gz IKTQCMWSDGQICR-UHFFFAOYSA-N 2 0 376.501 0.797 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000520629279 1195806252 /nfs/dbraw/zinc/80/62/52/1195806252.db2.gz DSKFOLVNXBYGPH-QGZVFWFLSA-N 2 0 382.549 0.698 20 0 GCADRP C[C@H](CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427796343 1195877815 /nfs/dbraw/zinc/87/78/15/1195877815.db2.gz JAZPCFYIURCWEB-FQBWVUSXSA-N 2 0 376.545 0.833 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000442167137 1195959312 /nfs/dbraw/zinc/95/93/12/1195959312.db2.gz XSQCHJABIWOGPX-APWZRJJASA-N 2 0 387.528 0.971 20 0 GCADRP Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000442329907 1195976926 /nfs/dbraw/zinc/97/69/26/1195976926.db2.gz FMEFXJHXEYUPBI-AWEZNQCLSA-N 2 0 387.484 0.932 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000550458269 1195980273 /nfs/dbraw/zinc/98/02/73/1195980273.db2.gz LBYQNLQEGKWKEN-SFHVURJKSA-N 2 0 382.549 0.650 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCCO1 ZINC000521233916 1195980898 /nfs/dbraw/zinc/98/08/98/1195980898.db2.gz WTTMMHPWFGTZIO-ROUUACIJSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCCO1 ZINC000521233915 1195980972 /nfs/dbraw/zinc/98/09/72/1195980972.db2.gz WTTMMHPWFGTZIO-QZTJIDSGSA-N 2 0 380.533 0.548 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000521442368 1195995521 /nfs/dbraw/zinc/99/55/21/1195995521.db2.gz CCRXHTCOYMETHG-FQEVSTJZSA-N 2 0 395.592 0.741 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443059321 1196018710 /nfs/dbraw/zinc/01/87/10/1196018710.db2.gz MKMAMYBDVWNNJM-MRXNPFEDSA-N 2 0 382.530 0.444 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000469764983 1196022554 /nfs/dbraw/zinc/02/25/54/1196022554.db2.gz QRBPNUWZLHTLSW-RDJZCZTQSA-N 2 0 387.550 0.425 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000550465148 1196025046 /nfs/dbraw/zinc/02/50/46/1196025046.db2.gz ZPSQRDOJKWYAEJ-UHFFFAOYSA-N 2 0 382.549 0.794 20 0 GCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000521926227 1196026044 /nfs/dbraw/zinc/02/60/44/1196026044.db2.gz DIANLMRXGFRWSL-GOSISDBHSA-N 2 0 381.565 0.223 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[N@@H+]1C1CC1 ZINC000521937702 1196026957 /nfs/dbraw/zinc/02/69/57/1196026957.db2.gz UVIDQUAAPVAPPV-HUHSQHJXSA-N 2 0 378.517 0.222 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[N@@H+]1C1CC1 ZINC000521937703 1196027115 /nfs/dbraw/zinc/02/71/15/1196027115.db2.gz UVIDQUAAPVAPPV-KCMWZYNZSA-N 2 0 378.517 0.222 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000522014944 1196034439 /nfs/dbraw/zinc/03/44/39/1196034439.db2.gz RSPHNEXLOGGOED-YSHGAJCASA-N 2 0 385.512 0.850 20 0 GCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001087577788 1196049096 /nfs/dbraw/zinc/04/90/96/1196049096.db2.gz JKKRRIXROJFIHP-MXASKKJJSA-N 2 0 386.500 0.832 20 0 GCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001087578274 1196050248 /nfs/dbraw/zinc/05/02/48/1196050248.db2.gz LOFKNNOVSPEROT-LVQVYYBASA-N 2 0 379.505 0.238 20 0 GCADRP C[C@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000443516402 1196064253 /nfs/dbraw/zinc/06/42/53/1196064253.db2.gz MUZIGNQIBVURAB-DLBZAZTESA-N 2 0 382.549 0.792 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000550512798 1196070514 /nfs/dbraw/zinc/07/05/14/1196070514.db2.gz ILTOTHSQMCHEBX-GOSISDBHSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000550518530 1196071620 /nfs/dbraw/zinc/07/16/20/1196071620.db2.gz DYFSUPLMOBEEFX-WMZOPIPTSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000550518528 1196071852 /nfs/dbraw/zinc/07/18/52/1196071852.db2.gz DYFSUPLMOBEEFX-FUHWJXTLSA-N 2 0 379.549 0.071 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000550519388 1196072215 /nfs/dbraw/zinc/07/22/15/1196072215.db2.gz NPXUBIWGRVYADP-SJLPKXTDSA-N 2 0 381.565 0.460 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000550518769 1196072854 /nfs/dbraw/zinc/07/28/54/1196072854.db2.gz IQEYWLDINNVQBQ-WMZOPIPTSA-N 2 0 379.549 0.071 20 0 GCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574893 1196091181 /nfs/dbraw/zinc/09/11/81/1196091181.db2.gz JMHHBWYXRLGDMA-BBWFWOEESA-N 2 0 382.549 0.839 20 0 GCADRP C[C@H](CCS(C)(=O)=O)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000474237632 1196102230 /nfs/dbraw/zinc/10/22/30/1196102230.db2.gz JNALVUNXEZGUSY-MRXNPFEDSA-N 2 0 397.545 0.716 20 0 GCADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000114587368 1196106114 /nfs/dbraw/zinc/10/61/14/1196106114.db2.gz CLIFVFFKPCUUEX-OALUTQOASA-N 2 0 383.581 0.796 20 0 GCADRP CC1(C)CC(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC(C)(C)[NH2+]1 ZINC000114581947 1196106146 /nfs/dbraw/zinc/10/61/46/1196106146.db2.gz AZLLXNJOFKFFJR-UHFFFAOYSA-N 2 0 383.581 0.985 20 0 GCADRP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@@H]2CC[N@H+](C)[C@H]2C)n1 ZINC000895739757 1196110592 /nfs/dbraw/zinc/11/05/92/1196110592.db2.gz JAKURJGWCNLSQU-LXTVHRRPSA-N 2 0 378.525 0.939 20 0 GCADRP C[C@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000840271575 1196110984 /nfs/dbraw/zinc/11/09/84/1196110984.db2.gz ZQSYGCHQZKEQKK-GOSISDBHSA-N 2 0 381.565 0.957 20 0 GCADRP [NH3+]CCCCn1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000645488441 1196131272 /nfs/dbraw/zinc/13/12/72/1196131272.db2.gz XINUIDQOHUICEM-UHFFFAOYSA-N 2 0 385.516 0.565 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)C2)CC1 ZINC000896324869 1196142723 /nfs/dbraw/zinc/14/27/23/1196142723.db2.gz KPYTYNKUBCQORK-SZMVWBNQSA-N 2 0 381.517 0.972 20 0 GCADRP CC(C)n1nnnc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971722 1196142769 /nfs/dbraw/zinc/14/27/69/1196142769.db2.gz PGMLOZDSHRZWDY-WCXIOVBPSA-N 2 0 375.521 0.875 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)[C@H](c2cnn(C)c2)C1 ZINC000896532880 1196153809 /nfs/dbraw/zinc/15/38/09/1196153809.db2.gz NBGGMGMRUHQUHP-RNQOJCNYSA-N 2 0 390.576 0.985 20 0 GCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329726837 1196227225 /nfs/dbraw/zinc/22/72/25/1196227225.db2.gz OOTIOSAMGJDNST-FGTMMUONSA-N 2 0 380.533 0.498 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@@H]21 ZINC000330122405 1196254325 /nfs/dbraw/zinc/25/43/25/1196254325.db2.gz KHXQXADFBFDAKW-QYZOEREBSA-N 2 0 392.544 0.642 20 0 GCADRP C[NH+](C)[C@H]1CCCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000330298963 1196267284 /nfs/dbraw/zinc/26/72/84/1196267284.db2.gz LYYHRCSWWNJIBA-ROUUACIJSA-N 2 0 380.533 0.642 20 0 GCADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000281063576 1196274141 /nfs/dbraw/zinc/27/41/41/1196274141.db2.gz LPYHTQUPVQMCNJ-UHFFFAOYSA-N 2 0 376.501 0.611 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000522985980 1196373432 /nfs/dbraw/zinc/37/34/32/1196373432.db2.gz YFMLRHLLJXEPNG-WOJBJXKFSA-N 2 0 389.544 0.995 20 0 GCADRP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)(N2CCOCC2)CC1 ZINC000665719767 1196449322 /nfs/dbraw/zinc/44/93/22/1196449322.db2.gz SAJABJKGGBERJE-SFHVURJKSA-N 2 0 379.549 0.567 20 0 GCADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523918105 1196566761 /nfs/dbraw/zinc/56/67/61/1196566761.db2.gz CYJYJLOBNINEFE-QGZVFWFLSA-N 2 0 383.537 0.339 20 0 GCADRP CC[NH+](C)C[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000524698788 1196615896 /nfs/dbraw/zinc/61/58/96/1196615896.db2.gz YDLMTVWRQOXWSB-ROUUACIJSA-N 2 0 382.549 0.603 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446363533 1196637967 /nfs/dbraw/zinc/63/79/67/1196637967.db2.gz MXQFHPODONYAKQ-OXFYSEKESA-N 2 0 380.533 0.532 20 0 GCADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000446363582 1196638042 /nfs/dbraw/zinc/63/80/42/1196638042.db2.gz NIAQBLCNOLHJKR-VPWXQRGCSA-N 2 0 378.517 0.286 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446368042 1196638553 /nfs/dbraw/zinc/63/85/53/1196638553.db2.gz BWWUUIDKTBWFNT-RIFZZMRRSA-N 2 0 380.533 0.578 20 0 GCADRP O=C([C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1)N1CC[NH2+]CC1 ZINC000469989105 1196652781 /nfs/dbraw/zinc/65/27/81/1196652781.db2.gz DPWOVNQWPMRWDJ-OAHLLOKOSA-N 2 0 379.530 0.624 20 0 GCADRP C[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCO1 ZINC001168089796 1196690172 /nfs/dbraw/zinc/69/01/72/1196690172.db2.gz ZYGJCSMSFGKZTC-QZTJIDSGSA-N 2 0 378.510 0.185 20 0 GCADRP C[C@@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c[nH]1 ZINC000525698407 1196701506 /nfs/dbraw/zinc/70/15/06/1196701506.db2.gz KFOKDBQAECUVAN-KBPBESRZSA-N 2 0 387.550 0.703 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000525813493 1196712800 /nfs/dbraw/zinc/71/28/00/1196712800.db2.gz ZILMIYWVAYZLHW-UHFFFAOYSA-N 2 0 391.516 0.937 20 0 GCADRP CNC(=O)c1ccc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525882646 1196720156 /nfs/dbraw/zinc/72/01/56/1196720156.db2.gz DGNBVGLCIVQYRJ-UHFFFAOYSA-N 2 0 377.489 0.245 20 0 GCADRP COc1cc(OC)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000526131888 1196744070 /nfs/dbraw/zinc/74/40/70/1196744070.db2.gz PHPVXFRJBZZXTQ-UHFFFAOYSA-N 2 0 384.452 0.733 20 0 GCADRP CNS(=O)(=O)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000527132359 1196765663 /nfs/dbraw/zinc/76/56/63/1196765663.db2.gz CEKCKLUWAGTZIM-UHFFFAOYSA-N 2 0 385.534 0.860 20 0 GCADRP CC(=O)NCc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000527373928 1196784028 /nfs/dbraw/zinc/78/40/28/1196784028.db2.gz ABGBGRLWLWOMEW-UHFFFAOYSA-N 2 0 377.489 0.213 20 0 GCADRP CC(C)n1ncc2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc21 ZINC000527374058 1196784143 /nfs/dbraw/zinc/78/41/43/1196784143.db2.gz NBUIRPYEDWUMHW-UHFFFAOYSA-N 2 0 389.504 0.903 20 0 GCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528603985 1196870722 /nfs/dbraw/zinc/87/07/22/1196870722.db2.gz NGNNLTVQAPCBRL-NEWSRXKRSA-N 2 0 375.513 0.688 20 0 GCADRP C[C@]1(CO)C[NH+](CCCCC[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528753632 1196887384 /nfs/dbraw/zinc/88/73/84/1196887384.db2.gz WJBWMVDYLMWVJZ-FXELSEDVSA-N 2 0 386.577 0.782 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)C1 ZINC000529305601 1196912705 /nfs/dbraw/zinc/91/27/05/1196912705.db2.gz IYKCZCDYGOHUGX-ROUUACIJSA-N 2 0 389.500 0.172 20 0 GCADRP CN(Cc1cc(C[N@H+](C)[C@@]2(CO)CCOC2)ccc1F)[C@@]1(CO)CCOC1 ZINC000450706876 1196949184 /nfs/dbraw/zinc/94/91/84/1196949184.db2.gz GSBMGGNHCOPOPG-WOJBJXKFSA-N 2 0 382.476 0.992 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991112 /nfs/dbraw/zinc/99/11/12/1196991112.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 2 0 377.533 0.014 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000530642206 1197003279 /nfs/dbraw/zinc/00/32/79/1197003279.db2.gz ZLMCDDWFWQIGQG-UHFFFAOYSA-N 2 0 399.495 0.576 20 0 GCADRP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000530806701 1197017740 /nfs/dbraw/zinc/01/77/40/1197017740.db2.gz HUNIGMLWPKLPTN-QGZVFWFLSA-N 2 0 387.528 0.831 20 0 GCADRP CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451992555 1197030073 /nfs/dbraw/zinc/03/00/73/1197030073.db2.gz UDLLKTGOZXQVMJ-UHFFFAOYSA-N 2 0 394.520 0.541 20 0 GCADRP CC1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000452127797 1197040116 /nfs/dbraw/zinc/04/01/16/1197040116.db2.gz SYTSVGCAARGDGH-MCEIDBOGSA-N 2 0 388.556 0.977 20 0 GCADRP COC(CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897366039 1197050006 /nfs/dbraw/zinc/05/00/06/1197050006.db2.gz HVRHYCLDEPSTDC-HOTGVXAUSA-N 2 0 382.549 0.979 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)CC1=O ZINC000452358964 1197054823 /nfs/dbraw/zinc/05/48/23/1197054823.db2.gz GWSPXGCNHBEELF-RCCFBDPRSA-N 2 0 380.533 0.282 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000531340983 1197067903 /nfs/dbraw/zinc/06/79/03/1197067903.db2.gz DINHRARJRAZCHR-UHFFFAOYSA-N 2 0 395.548 0.435 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000531584713 1197085686 /nfs/dbraw/zinc/08/56/86/1197085686.db2.gz GZIMEUROZXTGCL-MOPGFXCFSA-N 2 0 380.581 0.432 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000531759057 1197095271 /nfs/dbraw/zinc/09/52/71/1197095271.db2.gz DWVWILKWQNLGAM-MOPGFXCFSA-N 2 0 381.565 0.691 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000172344313 1197159697 /nfs/dbraw/zinc/15/96/97/1197159697.db2.gz AAARSLLYRXPXBE-IAGOWNOFSA-N 2 0 380.533 0.282 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986340729 1197167123 /nfs/dbraw/zinc/16/71/23/1197167123.db2.gz YOSHXLNIUSTLKT-OQIJWPOYSA-N 2 0 376.545 0.975 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4cncn4C)C[C@@H]3C2)CC[N@@H+]1C ZINC000986418100 1197170323 /nfs/dbraw/zinc/17/03/23/1197170323.db2.gz GBRPFNAUNNWLMR-KCITZHQASA-N 2 0 387.528 1.000 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418329160 1197173742 /nfs/dbraw/zinc/17/37/42/1197173742.db2.gz ATLAZSNNMZNCHK-ROUUACIJSA-N 2 0 375.517 0.574 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000174635233 1197181792 /nfs/dbraw/zinc/18/17/92/1197181792.db2.gz QHEUWLYIUUYCCV-SJORKVTESA-N 2 0 377.537 0.959 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1=O ZINC000174623097 1197182066 /nfs/dbraw/zinc/18/20/66/1197182066.db2.gz CBPHXHUYNGORCJ-INIZCTEOSA-N 2 0 382.574 0.874 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)NCCN3CCC([NH+](C)C)CC3)CC2)CC1 ZINC000175699690 1197184249 /nfs/dbraw/zinc/18/42/49/1197184249.db2.gz BQLXEHFNTKRBRB-UHFFFAOYSA-N 2 0 394.608 0.870 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176410887 1197186860 /nfs/dbraw/zinc/18/68/60/1197186860.db2.gz RYXPNJVPISLEDJ-GOSISDBHSA-N 2 0 381.565 0.766 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000176828483 1197188180 /nfs/dbraw/zinc/18/81/80/1197188180.db2.gz LTTJHGRXCMCNAA-IEBWSBKVSA-N 2 0 392.544 0.642 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000178856194 1197196462 /nfs/dbraw/zinc/19/64/62/1197196462.db2.gz QZAXAGZOHDLCBE-UHFFFAOYSA-N 2 0 376.505 0.860 20 0 GCADRP COCC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000192160649 1197245696 /nfs/dbraw/zinc/24/56/96/1197245696.db2.gz NWLCJODZEQKWLZ-UHFFFAOYSA-N 2 0 381.565 0.766 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)CCCCN3CCOCC3)ccn2)CC1 ZINC000170694486 1197255408 /nfs/dbraw/zinc/25/54/08/1197255408.db2.gz PAYCSRXPGSSXDM-UHFFFAOYSA-N 2 0 375.517 0.952 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000104363021 1197295533 /nfs/dbraw/zinc/29/55/33/1197295533.db2.gz IUNXAYSOOVVFJN-MRXNPFEDSA-N 2 0 388.516 0.748 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCN2CC[NH+](CC)CC2)CC1=O ZINC000105319299 1197326422 /nfs/dbraw/zinc/32/64/22/1197326422.db2.gz ICXAGVSEVRSMDT-OALUTQOASA-N 2 0 393.576 0.463 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000105322785 1197326491 /nfs/dbraw/zinc/32/64/91/1197326491.db2.gz DCVWCLIINIHSDQ-HZPDHXFCSA-N 2 0 376.505 0.716 20 0 GCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729620304 1197355074 /nfs/dbraw/zinc/35/50/74/1197355074.db2.gz QCJNDSNEJCDZCB-OALUTQOASA-N 2 0 380.533 0.994 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000666670444 1197363264 /nfs/dbraw/zinc/36/32/64/1197363264.db2.gz VGRQYABFUMYMGV-GOSISDBHSA-N 2 0 390.484 0.676 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418864438 1197383429 /nfs/dbraw/zinc/38/34/29/1197383429.db2.gz QQQJOSBGVQMZGW-LJQANCHMSA-N 2 0 389.544 0.410 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418877405 1197389913 /nfs/dbraw/zinc/38/99/13/1197389913.db2.gz ORUSLGDLFOCOJC-FGTMMUONSA-N 2 0 376.501 0.240 20 0 GCADRP O=C(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478792 1197391114 /nfs/dbraw/zinc/39/11/14/1197391114.db2.gz GHGAFMHCJMPJEY-ZWKOTPCHSA-N 2 0 385.512 0.968 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000897485065 1197393750 /nfs/dbraw/zinc/39/37/50/1197393750.db2.gz BYIJQJCDTFANSG-MRXNPFEDSA-N 2 0 377.489 0.203 20 0 GCADRP CC(C[NH+]1CC[C@@H](CN2CCOCC2)C1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000532973460 1197424713 /nfs/dbraw/zinc/42/47/13/1197424713.db2.gz DMBYRGPANFGQMX-VXKWHMMOSA-N 2 0 394.604 0.931 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)CC1=O ZINC000245756682 1197430102 /nfs/dbraw/zinc/43/01/02/1197430102.db2.gz YMTAZPMVCNMMPW-IPMKNSEASA-N 2 0 394.560 0.672 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCOC)CC2)CC1=O ZINC000246326659 1197463912 /nfs/dbraw/zinc/46/39/12/1197463912.db2.gz AQFQERTVXCFOLT-FUHWJXTLSA-N 2 0 380.533 0.546 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000246383347 1197466576 /nfs/dbraw/zinc/46/65/76/1197466576.db2.gz HSPSMMRGIPTXBW-OKZBNKHCSA-N 2 0 379.549 0.071 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000246383375 1197466584 /nfs/dbraw/zinc/46/65/84/1197466584.db2.gz HSPSMMRGIPTXBW-RCCFBDPRSA-N 2 0 379.549 0.071 20 0 GCADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCNS(=O)(=O)NC(C)C)CC1 ZINC000428571092 1197471308 /nfs/dbraw/zinc/47/13/08/1197471308.db2.gz IZIJBEFJMQJAIL-UHFFFAOYSA-N 2 0 383.562 0.751 20 0 GCADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000246681509 1197473294 /nfs/dbraw/zinc/47/32/94/1197473294.db2.gz HEZABBMBYWVDSA-QRVBRYPASA-N 2 0 394.560 0.888 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000246769577 1197473899 /nfs/dbraw/zinc/47/38/99/1197473899.db2.gz PHWAUFQHDYKJHC-CEXWTWQISA-N 2 0 392.544 0.500 20 0 GCADRP CC(C)[C@H](C(=O)NCCN1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1)[NH+](C)C ZINC000614909061 1197486583 /nfs/dbraw/zinc/48/65/83/1197486583.db2.gz OOXZNGDMSDUVHU-QZTJIDSGSA-N 2 0 383.581 0.419 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000897529411 1197491891 /nfs/dbraw/zinc/49/18/91/1197491891.db2.gz KOPWNCQAPFOCIR-UHFFFAOYSA-N 2 0 382.549 0.938 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000897529845 1197492584 /nfs/dbraw/zinc/49/25/84/1197492584.db2.gz WWPLMNLWUPRADE-INIZCTEOSA-N 2 0 389.500 0.346 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000666796261 1197504427 /nfs/dbraw/zinc/50/44/27/1197504427.db2.gz AYTGNFIELBWMBK-LJQANCHMSA-N 2 0 385.512 0.509 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261794581 1197515102 /nfs/dbraw/zinc/51/51/02/1197515102.db2.gz IKCAJBBYOKWLCC-HOTGVXAUSA-N 2 0 391.516 0.431 20 0 GCADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000261820260 1197515941 /nfs/dbraw/zinc/51/59/41/1197515941.db2.gz KHDAKGPLMDOVSB-BBWFWOEESA-N 2 0 386.562 0.238 20 0 GCADRP O=C(NC[C@@H]1CCCN([C@H]2CCN(CC(F)(F)F)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261884598 1197517498 /nfs/dbraw/zinc/51/74/98/1197517498.db2.gz PRUJTZRTPLBWPV-IHRRRGAJSA-N 2 0 376.423 0.730 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262005072 1197522277 /nfs/dbraw/zinc/52/22/77/1197522277.db2.gz DYHXXRKFFKSRES-UHFFFAOYSA-N 3 0 381.565 0.224 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672012287 1199003602 /nfs/dbraw/zinc/00/36/02/1199003602.db2.gz PLHHBPSXTSJGCU-HZPDHXFCSA-N 2 0 380.533 0.545 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672012286 1199003901 /nfs/dbraw/zinc/00/39/01/1199003901.db2.gz PLHHBPSXTSJGCU-CVEARBPZSA-N 2 0 380.533 0.545 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000672010332 1199004512 /nfs/dbraw/zinc/00/45/12/1199004512.db2.gz NJBMEYAYBZHBNB-IEBWSBKVSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010307 1199004548 /nfs/dbraw/zinc/00/45/48/1199004548.db2.gz UWVVUIMQPQKHRI-LMMKCTJWSA-N 2 0 393.576 0.317 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000465672328 1199016921 /nfs/dbraw/zinc/01/69/21/1199016921.db2.gz WESRZRLQUZOJFZ-SFHVURJKSA-N 2 0 397.564 0.681 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)CC1 ZINC000108617401 1199060804 /nfs/dbraw/zinc/06/08/04/1199060804.db2.gz LOGVEQLEODDBOY-HXUWFJFHSA-N 2 0 399.539 0.973 20 0 GCADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000626921394 1199080019 /nfs/dbraw/zinc/08/00/19/1199080019.db2.gz ZXLFLJDSAAJMIP-KRWDZBQOSA-N 2 0 391.520 0.647 20 0 GCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672098391 1199089480 /nfs/dbraw/zinc/08/94/80/1199089480.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 2 0 381.565 0.460 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000672111577 1199108940 /nfs/dbraw/zinc/10/89/40/1199108940.db2.gz BOZADHBBGAZZFB-SJORKVTESA-N 2 0 395.548 0.034 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000672111196 1199110661 /nfs/dbraw/zinc/11/06/61/1199110661.db2.gz CNAJVCGGTCRVNC-IRXDYDNUSA-N 2 0 395.548 0.036 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627302455 1199116654 /nfs/dbraw/zinc/11/66/54/1199116654.db2.gz MYNZPCGKUAXMHF-GXTWGEPZSA-N 2 0 394.438 0.199 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000465894865 1199156700 /nfs/dbraw/zinc/15/67/00/1199156700.db2.gz BMTZAJDZMWOKRN-OALUTQOASA-N 3 0 382.597 0.680 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000465894866 1199156764 /nfs/dbraw/zinc/15/67/64/1199156764.db2.gz BMTZAJDZMWOKRN-RBUKOAKNSA-N 3 0 382.597 0.680 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672204346 1199159464 /nfs/dbraw/zinc/15/94/64/1199159464.db2.gz LPDQRVYMKYARFI-ZWKOTPCHSA-N 2 0 379.549 0.215 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000672305859 1199198474 /nfs/dbraw/zinc/19/84/74/1199198474.db2.gz GVRLJHULCMYCCF-SFHVURJKSA-N 2 0 392.544 0.690 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672309606 1199201795 /nfs/dbraw/zinc/20/17/95/1199201795.db2.gz ZESZWVLIXPQECC-SFHVURJKSA-N 2 0 378.517 0.158 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672310566 1199202545 /nfs/dbraw/zinc/20/25/45/1199202545.db2.gz ZHVTYUQJTYUYEK-INIZCTEOSA-N 2 0 380.533 0.593 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC[C@@H]21 ZINC000672313595 1199204210 /nfs/dbraw/zinc/20/42/10/1199204210.db2.gz GHQXHIQMNDRDFU-MSOLQXFVSA-N 2 0 392.544 0.690 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1CCCC1 ZINC000672330366 1199210010 /nfs/dbraw/zinc/21/00/10/1199210010.db2.gz WFNJWYHTYRMGCJ-SFHVURJKSA-N 2 0 379.549 0.215 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465951151 1199217653 /nfs/dbraw/zinc/21/76/53/1199217653.db2.gz NIKNCPYOOBQONC-INIZCTEOSA-N 2 0 383.537 0.062 20 0 GCADRP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672608326 1199281231 /nfs/dbraw/zinc/28/12/31/1199281231.db2.gz MBEBWICDWFUJLI-NVXWUHKLSA-N 2 0 390.532 0.926 20 0 GCADRP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000672608328 1199281413 /nfs/dbraw/zinc/28/14/13/1199281413.db2.gz MBEBWICDWFUJLI-WBVHZDCISA-N 2 0 390.532 0.926 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295858 /nfs/dbraw/zinc/29/58/58/1199295858.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 2 0 391.560 0.214 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640212 1199296848 /nfs/dbraw/zinc/29/68/48/1199296848.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 2 0 393.576 0.461 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642268 1199300155 /nfs/dbraw/zinc/30/01/55/1199300155.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303858 /nfs/dbraw/zinc/30/38/58/1199303858.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000672642908 1199305666 /nfs/dbraw/zinc/30/56/66/1199305666.db2.gz JQTXBLXWQKMAIE-ROUUACIJSA-N 2 0 393.576 0.652 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000672694210 1199314648 /nfs/dbraw/zinc/31/46/48/1199314648.db2.gz QJBIYMHENRJMGH-IPMKNSEASA-N 2 0 393.576 0.461 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672695614 1199315009 /nfs/dbraw/zinc/31/50/09/1199315009.db2.gz NGVFRSDJJJARHY-ROUUACIJSA-N 2 0 379.549 0.215 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000672694211 1199315108 /nfs/dbraw/zinc/31/51/08/1199315108.db2.gz QJBIYMHENRJMGH-OTWHNJEPSA-N 2 0 393.576 0.461 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000672694809 1199316118 /nfs/dbraw/zinc/31/61/18/1199316118.db2.gz CMDCPORUWMILQN-SJORKVTESA-N 2 0 380.533 0.689 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000672697910 1199318529 /nfs/dbraw/zinc/31/85/29/1199318529.db2.gz CMDCPORUWMILQN-IRXDYDNUSA-N 2 0 380.533 0.689 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000077622151 1199319879 /nfs/dbraw/zinc/31/98/79/1199319879.db2.gz DSIAZCJDDJGZLY-MJGOQNOKSA-N 2 0 382.549 0.879 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000265807905 1199324306 /nfs/dbraw/zinc/32/43/06/1199324306.db2.gz KXZQQYQLMYLDPI-MRXNPFEDSA-N 2 0 375.517 0.686 20 0 GCADRP COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000672859999 1199350173 /nfs/dbraw/zinc/35/01/73/1199350173.db2.gz NNJXTHLBKOQCKD-QGZVFWFLSA-N 2 0 392.500 0.587 20 0 GCADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000672854549 1199351999 /nfs/dbraw/zinc/35/19/99/1199351999.db2.gz QISANEJBKMUVIZ-SFHVURJKSA-N 2 0 387.528 0.432 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673014258 1199394179 /nfs/dbraw/zinc/39/41/79/1199394179.db2.gz GEQCUWFBKKHIGL-FUHWJXTLSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001003141023 1199427615 /nfs/dbraw/zinc/42/76/15/1199427615.db2.gz VKUUAYMEZRECES-YRGVVPAESA-N 2 0 392.544 0.686 20 0 GCADRP O=C(COCC(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH+](CC2CC2)CC1 ZINC000079004051 1199464606 /nfs/dbraw/zinc/46/46/06/1199464606.db2.gz JJHMXTLTXLGSHA-UHFFFAOYSA-N 2 0 378.517 0.111 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000079167736 1199484763 /nfs/dbraw/zinc/48/47/63/1199484763.db2.gz VCJJYHDFMUDXLG-UHFFFAOYSA-N 2 0 381.565 0.766 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000673224374 1199488243 /nfs/dbraw/zinc/48/82/43/1199488243.db2.gz KUIOLHBKOVWEEO-DLBZAZTESA-N 2 0 381.565 0.317 20 0 GCADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000627346262 1199496038 /nfs/dbraw/zinc/49/60/38/1199496038.db2.gz KLDQDOWDYSFIIY-CQSZACIVSA-N 2 0 379.480 0.562 20 0 GCADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000673269936 1199513109 /nfs/dbraw/zinc/51/31/09/1199513109.db2.gz VBZIRTXCKXGTLI-LJQANCHMSA-N 2 0 395.592 0.850 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000627349306 1199535889 /nfs/dbraw/zinc/53/58/89/1199535889.db2.gz JFNYZSDYQCSWBY-NRWUCQMLSA-N 2 0 376.423 0.714 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCCO1 ZINC000673426409 1199629630 /nfs/dbraw/zinc/62/96/30/1199629630.db2.gz YEBZXIKKMVOFON-KRWDZBQOSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000673427680 1199629979 /nfs/dbraw/zinc/62/99/79/1199629979.db2.gz IQMFMVCNDQNVPW-QZTJIDSGSA-N 2 0 380.533 0.690 20 0 GCADRP CO[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000543328405 1199658126 /nfs/dbraw/zinc/65/81/26/1199658126.db2.gz IOVSVVPZIVHVAT-HSFUPAIVSA-N 2 0 382.549 0.979 20 0 GCADRP Cc1nn(C)c(C)c1C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000069786123 1199731978 /nfs/dbraw/zinc/73/19/78/1199731978.db2.gz VWFVSVZEQQUDRL-UHFFFAOYSA-N 2 0 392.529 0.674 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000118101794 1199742715 /nfs/dbraw/zinc/74/27/15/1199742715.db2.gz LQPGZUHCYSVMIH-IBGZPJMESA-N 2 0 387.528 0.829 20 0 GCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550175 1199781201 /nfs/dbraw/zinc/78/12/01/1199781201.db2.gz PTQSRXOEEOBVCC-IEBWSBKVSA-N 2 0 382.549 0.792 20 0 GCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550174 1199781674 /nfs/dbraw/zinc/78/16/74/1199781674.db2.gz PTQSRXOEEOBVCC-HKUYNNGSSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)[C@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000153988305 1199782738 /nfs/dbraw/zinc/78/27/38/1199782738.db2.gz FPFFRWQSSRZXJN-QZTJIDSGSA-N 2 0 382.549 0.600 20 0 GCADRP CCN1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cncc2C)C3)C1 ZINC001004215144 1199818734 /nfs/dbraw/zinc/81/87/34/1199818734.db2.gz HELNFBVEHKETMM-NCOADZHNSA-N 2 0 375.473 0.160 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584838 1199828959 /nfs/dbraw/zinc/82/89/59/1199828959.db2.gz RRIIHKBSGOXQMJ-ZWKOTPCHSA-N 2 0 380.533 0.329 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584252 1199830255 /nfs/dbraw/zinc/83/02/55/1199830255.db2.gz ICTMWJSFCLFHME-ZWKOTPCHSA-N 2 0 380.533 0.423 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000673584035 1199830950 /nfs/dbraw/zinc/83/09/50/1199830950.db2.gz JNQOHJRLQSOERC-QGTPRVQTSA-N 2 0 380.533 0.327 20 0 GCADRP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)c(F)cc2C(=O)N2CCOCC2)CC1 ZINC001168734878 1199871749 /nfs/dbraw/zinc/87/17/49/1199871749.db2.gz CNKRIEKJCQKOPU-UHFFFAOYSA-N 2 0 384.843 0.941 20 0 GCADRP O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673872077 1199963729 /nfs/dbraw/zinc/96/37/29/1199963729.db2.gz IHKJDSXNXSMZTF-ZWKOTPCHSA-N 2 0 392.504 0.278 20 0 GCADRP Cn1cc(N2C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2=O)cn1 ZINC000625540570 1200020157 /nfs/dbraw/zinc/02/01/57/1200020157.db2.gz MIVLLFCQQJBAKU-MRXNPFEDSA-N 2 0 378.521 0.505 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000670526867 1200403750 /nfs/dbraw/zinc/40/37/50/1200403750.db2.gz AHUZHCYJIDHVNR-WMZOPIPTSA-N 2 0 392.544 0.737 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCCOC)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001129003809 1200408976 /nfs/dbraw/zinc/40/89/76/1200408976.db2.gz HZHYRLFOZGBQFC-MLHJIOFPSA-N 2 0 378.521 0.777 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000675536161 1200427356 /nfs/dbraw/zinc/42/73/56/1200427356.db2.gz HEKFJCYYGATMCH-QGZVFWFLSA-N 3 0 381.565 0.689 20 0 GCADRP C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675817325 1200461186 /nfs/dbraw/zinc/46/11/86/1200461186.db2.gz PNKKGWBBYXWZLR-KRWDZBQOSA-N 2 0 398.573 0.855 20 0 GCADRP C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675816675 1200461457 /nfs/dbraw/zinc/46/14/57/1200461457.db2.gz DQADTDGICPMLQT-QGZVFWFLSA-N 2 0 398.573 0.855 20 0 GCADRP C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675817326 1200461519 /nfs/dbraw/zinc/46/15/19/1200461519.db2.gz PNKKGWBBYXWZLR-QGZVFWFLSA-N 2 0 398.573 0.855 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047695 1200480559 /nfs/dbraw/zinc/48/05/59/1200480559.db2.gz UDSDKTCVXOANMZ-IHPCNDPISA-N 2 0 393.576 0.832 20 0 GCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243187 1200514352 /nfs/dbraw/zinc/51/43/52/1200514352.db2.gz FFFWUJSQKURJKM-PKOBYXMFSA-N 2 0 390.532 0.612 20 0 GCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243179 1200514681 /nfs/dbraw/zinc/51/46/81/1200514681.db2.gz FFFWUJSQKURJKM-HKUYNNGSSA-N 2 0 390.532 0.612 20 0 GCADRP C[NH+](C)C1CCN(CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000365889365 1200627537 /nfs/dbraw/zinc/62/75/37/1200627537.db2.gz XGGQCJUEHRHCHW-UHFFFAOYSA-N 2 0 377.537 1.297 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000446739799 1200637986 /nfs/dbraw/zinc/63/79/86/1200637986.db2.gz YASVSJXTMJOHQH-UHFFFAOYSA-N 2 0 376.505 0.906 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)n2)CC1 ZINC000373317327 1200672500 /nfs/dbraw/zinc/67/25/00/1200672500.db2.gz IRPXHSMZYPXESM-UHFFFAOYSA-N 2 0 390.532 1.469 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427226315 1200846628 /nfs/dbraw/zinc/84/66/28/1200846628.db2.gz RSVIMPBNYWGUQN-UHFFFAOYSA-N 2 0 390.532 1.421 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000511901281 1200863260 /nfs/dbraw/zinc/86/32/60/1200863260.db2.gz HJUOXOKJIZYONL-CQSZACIVSA-N 2 0 377.408 0.996 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000377090648 1200898636 /nfs/dbraw/zinc/89/86/36/1200898636.db2.gz BRPXIQJXZLBXNR-INIZCTEOSA-N 2 0 376.505 1.079 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427544926 1200903605 /nfs/dbraw/zinc/90/36/05/1200903605.db2.gz DKXNIJZFFYJRMM-DOTOQJQBSA-N 2 0 390.532 1.420 20 0 GCADRP O=C1N[C@@H]2C[N@H+](C[C@H](O)COc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923378185 1200973708 /nfs/dbraw/zinc/97/37/08/1200973708.db2.gz BZTPHHAFISQLMZ-UHOSZYNNSA-N 2 0 392.475 0.786 20 0 GCADRP O=C1N[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923378191 1200973798 /nfs/dbraw/zinc/97/37/98/1200973798.db2.gz RQGDFECESPFXPH-NXHRZFHOSA-N 2 0 392.475 0.786 20 0 GCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000923485545 1201040956 /nfs/dbraw/zinc/04/09/56/1201040956.db2.gz VKJHRMIGSPNZQU-OAHLLOKOSA-N 2 0 398.504 0.329 20 0 GCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000923488951 1201043384 /nfs/dbraw/zinc/04/33/84/1201043384.db2.gz CGFNCCCSQPAWCS-MRXNPFEDSA-N 2 0 380.514 0.190 20 0 GCADRP [NH3+]CC[C@@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000923489528 1201044732 /nfs/dbraw/zinc/04/47/32/1201044732.db2.gz YKPOVAHSXPOUTM-MRXNPFEDSA-N 2 0 383.514 0.757 20 0 GCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373338552 1201053144 /nfs/dbraw/zinc/05/31/44/1201053144.db2.gz SVUAVBQUIJOZOA-HNNXBMFYSA-N 2 0 376.505 1.079 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000136815494 1201188134 /nfs/dbraw/zinc/18/81/34/1201188134.db2.gz XWEQUXAPVXYJII-HXUWFJFHSA-N 2 0 399.539 0.993 20 0 GCADRP C[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079724773 1201255110 /nfs/dbraw/zinc/25/51/10/1201255110.db2.gz CTXDMGQJHUZNCK-KLHDSHLOSA-N 2 0 393.532 0.484 20 0 GCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513467 1201403806 /nfs/dbraw/zinc/40/38/06/1201403806.db2.gz ZPXIMOHDWURISN-FGDFAXGYSA-N 2 0 380.577 0.699 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001085202105 1201633310 /nfs/dbraw/zinc/63/33/10/1201633310.db2.gz OAQGEBIXWNLMSN-QBPKDAKJSA-N 2 0 386.562 0.379 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743933971 1201830025 /nfs/dbraw/zinc/83/00/25/1201830025.db2.gz MROHBOSZKSRMRC-UHFFFAOYSA-N 2 0 391.516 0.461 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC2(C1)OCCO2 ZINC000745790208 1201890515 /nfs/dbraw/zinc/89/05/15/1201890515.db2.gz VYMPTZYNKDSGGG-UHFFFAOYSA-N 2 0 375.473 0.752 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CO1 ZINC001169347824 1201942596 /nfs/dbraw/zinc/94/25/96/1201942596.db2.gz CMWCENOLVWDTML-KSSFIOAISA-N 2 0 384.473 0.693 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389892 1201945108 /nfs/dbraw/zinc/94/51/08/1201945108.db2.gz UCVQSQVSMVVOLN-HKUYNNGSSA-N 2 0 391.512 0.921 20 0 GCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109419575 1202042012 /nfs/dbraw/zinc/04/20/12/1202042012.db2.gz WEYRGGKVHKLWLS-YRXWBPOGSA-N 2 0 380.533 0.735 20 0 GCADRP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CCCC1 ZINC001109565328 1202081293 /nfs/dbraw/zinc/08/12/93/1202081293.db2.gz KVLPWMBDVZULSH-IKGGRYGDSA-N 2 0 377.533 0.998 20 0 GCADRP COC(=O)C[C@]1([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CCCOC1 ZINC000770698257 1202109119 /nfs/dbraw/zinc/10/91/19/1202109119.db2.gz DRVAMEJKNYEHRQ-HXUWFJFHSA-N 2 0 390.484 0.822 20 0 GCADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCOCC[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170021681 1202125526 /nfs/dbraw/zinc/12/55/26/1202125526.db2.gz IVDKNFTXQZFADZ-KGLIPLIRSA-N 2 0 388.534 0.462 20 0 GCADRP Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)n1 ZINC001109847691 1202135043 /nfs/dbraw/zinc/13/50/43/1202135043.db2.gz CJGGGZBWZABXBP-QYZOEREBSA-N 2 0 375.517 0.944 20 0 GCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109867102 1202140027 /nfs/dbraw/zinc/14/00/27/1202140027.db2.gz TZDFEJXIWBFVAL-KBXIAJHMSA-N 2 0 381.439 0.990 20 0 GCADRP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000771766098 1202161975 /nfs/dbraw/zinc/16/19/75/1202161975.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 2 0 379.549 0.660 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NC[C@@H]1COCC[NH2+]1 ZINC001170034264 1202164745 /nfs/dbraw/zinc/16/47/45/1202164745.db2.gz ALUABNCTKOLLIJ-GOEBONIOSA-N 2 0 380.489 0.588 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NC[C@H]1COCC[NH2+]1 ZINC001170034267 1202164873 /nfs/dbraw/zinc/16/48/73/1202164873.db2.gz ALUABNCTKOLLIJ-HOCLYGCPSA-N 2 0 380.489 0.588 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000787633474 1205396243 /nfs/dbraw/zinc/39/62/43/1205396243.db2.gz BHJUUMNFEJEVSU-KZNAEPCWSA-N 2 0 392.475 0.524 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787910212 1205407132 /nfs/dbraw/zinc/40/71/32/1205407132.db2.gz KLYOMSARAMLPHZ-RDGPPVDQSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787909846 1205407525 /nfs/dbraw/zinc/40/75/25/1205407525.db2.gz KLYOMSARAMLPHZ-FCGDIQPGSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000787901137 1205409157 /nfs/dbraw/zinc/40/91/57/1205409157.db2.gz AINCGAXVCIHBPX-KZNAEPCWSA-N 2 0 380.533 0.737 20 0 GCADRP O=C1O[C@]2(CN1CN1CCC(C[NH+]3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790371176 1205463882 /nfs/dbraw/zinc/46/38/82/1205463882.db2.gz VJOIHPDRCURINO-FQEVSTJZSA-N 2 0 378.517 0.905 20 0 GCADRP CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCO1 ZINC001170177572 1205489224 /nfs/dbraw/zinc/48/92/24/1205489224.db2.gz HIBOBNJDJIOHKD-OALUTQOASA-N 2 0 392.537 0.575 20 0 GCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(=O)NC3CC[NH+](C)CC3)nn2)O1 ZINC001170278850 1205490454 /nfs/dbraw/zinc/49/04/54/1205490454.db2.gz ROBFQJPOUSOFJZ-GPMSIDNRSA-N 2 0 392.504 0.437 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(F)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388895 1205491312 /nfs/dbraw/zinc/49/13/12/1205491312.db2.gz AAUNENPPUZFQOL-KDUQRTNCSA-N 2 0 385.484 0.889 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncncc2F)[C@@H](O)OC(C)(C)C)C1 ZINC001170396235 1205491537 /nfs/dbraw/zinc/49/15/37/1205491537.db2.gz BUJGYIVILPFBAE-VSICPBCXSA-N 2 0 385.484 0.889 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCCCC1 ZINC000793728559 1205503526 /nfs/dbraw/zinc/50/35/26/1205503526.db2.gz VLMSRWKVFAEUIM-GOSISDBHSA-N 2 0 393.576 0.463 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000793698302 1205503993 /nfs/dbraw/zinc/50/39/93/1205503993.db2.gz IXLDVKWLCOXDRV-QZTJIDSGSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701013 1205504411 /nfs/dbraw/zinc/50/44/11/1205504411.db2.gz NNUWPQKBZKTRCT-IEBWSBKVSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000793699143 1205504461 /nfs/dbraw/zinc/50/44/61/1205504461.db2.gz MKFQTLTZRALRGJ-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)([NH+](C)C)C1 ZINC000793815134 1205507419 /nfs/dbraw/zinc/50/74/19/1205507419.db2.gz WFQUWFTYPCCJCG-VIPLHTEESA-N 2 0 380.533 0.593 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)c1 ZINC000793872025 1205508406 /nfs/dbraw/zinc/50/84/06/1205508406.db2.gz WRDMURGCGTUVHR-RBUKOAKNSA-N 2 0 388.512 0.734 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001129912705 1205522866 /nfs/dbraw/zinc/52/28/66/1205522866.db2.gz WQWJLQKAHWQDNN-OQIJWPOYSA-N 2 0 390.532 0.919 20 0 GCADRP C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCCF)[nH]2)CC[N@@H+]1C ZINC001130213036 1205536878 /nfs/dbraw/zinc/53/68/78/1205536878.db2.gz QDTNBMCMESILMW-KBXIAJHMSA-N 2 0 382.484 0.583 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806056638 1205548805 /nfs/dbraw/zinc/54/88/05/1205548805.db2.gz AWYYIQKKKMHGRO-ABHNRTSZSA-N 2 0 379.549 0.262 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000806502854 1205557707 /nfs/dbraw/zinc/55/77/07/1205557707.db2.gz JDLJXKMMOPDZNO-UHOSZYNNSA-N 2 0 393.576 0.602 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000808344763 1205605790 /nfs/dbraw/zinc/60/57/90/1205605790.db2.gz WYBAHHUSZVKREK-KBAYOESNSA-N 2 0 380.533 0.471 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001131500084 1205613530 /nfs/dbraw/zinc/61/35/30/1205613530.db2.gz ITOZYJKXTDMVGN-MYZZLAAOSA-N 2 0 380.533 0.401 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)n1 ZINC000810411324 1205637624 /nfs/dbraw/zinc/63/76/24/1205637624.db2.gz MDFDROVNVRSXGV-UHFFFAOYSA-N 2 0 399.499 0.774 20 0 GCADRP CCOC(=O)N1CCN(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000815208919 1205699389 /nfs/dbraw/zinc/69/93/89/1205699389.db2.gz GFSQVTVRHWYICP-JWTNVVGKSA-N 2 0 396.532 0.861 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC2)C1 ZINC001172014845 1205711109 /nfs/dbraw/zinc/71/11/09/1205711109.db2.gz OEEMCXKHBRTNIM-GOSISDBHSA-N 2 0 392.544 0.642 20 0 GCADRP COCCC[NH+]1CCC([NH2+]CCCOCCOCCOCCC[NH3+])CC1 ZINC001172244827 1205714891 /nfs/dbraw/zinc/71/48/91/1205714891.db2.gz KTYNZFJMBIHRIG-UHFFFAOYSA-N 3 0 375.554 0.866 20 0 GCADRP CC(C)OC(=O)CC[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001172744608 1205717173 /nfs/dbraw/zinc/71/71/73/1205717173.db2.gz CVQLKGPPJANAEV-KRWDZBQOSA-N 2 0 378.510 0.721 20 0 GCADRP CC[N@@H+]1CC[C@H](N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001173352991 1205719781 /nfs/dbraw/zinc/71/97/81/1205719781.db2.gz CCDIXSWRGDXSHJ-XREYTECCSA-N 3 0 386.581 0.850 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363193 1205720089 /nfs/dbraw/zinc/72/00/89/1205720089.db2.gz JOBNSQROQAIGFH-IEZWGBDMSA-N 2 0 379.480 0.911 20 0 GCADRP COC(=O)[C@@H]1C[C@H](NC(=[NH2+])NCCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001173484442 1205721253 /nfs/dbraw/zinc/72/12/53/1205721253.db2.gz ABJFRPRRNOHADT-CVEARBPZSA-N 2 0 375.473 0.686 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173755949 1205727615 /nfs/dbraw/zinc/72/76/15/1205727615.db2.gz XEBJLZQKGYTGBD-ZIAGYGMSSA-N 2 0 388.476 0.495 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cc[nH]n2)[C@H](O)OC(C)(C)C)C1 ZINC001175762212 1205740998 /nfs/dbraw/zinc/74/09/98/1205740998.db2.gz QIMDXQZJMQBGQJ-GIVGJKMXSA-N 2 0 397.520 0.248 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001177875354 1205777567 /nfs/dbraw/zinc/77/75/67/1205777567.db2.gz WPJKLFVEJFLYNA-AJFIWVJRSA-N 2 0 396.532 0.853 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001177875355 1205777767 /nfs/dbraw/zinc/77/77/67/1205777767.db2.gz WPJKLFVEJFLYNA-AOILIUCDSA-N 2 0 396.532 0.853 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O ZINC001178751372 1205793760 /nfs/dbraw/zinc/79/37/60/1205793760.db2.gz GOIMAVJAGJGDIR-ZIAGYGMSSA-N 2 0 385.509 0.668 20 0 GCADRP CC(C)[C@H](O)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001179607724 1205812320 /nfs/dbraw/zinc/81/23/20/1205812320.db2.gz XIHWPCFADAOQFK-QPMXBGOESA-N 2 0 389.537 0.299 20 0 GCADRP CC(C)[C@H](O)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001179607726 1205812466 /nfs/dbraw/zinc/81/24/66/1205812466.db2.gz XIHWPCFADAOQFK-ZRNNSCFXSA-N 2 0 389.537 0.299 20 0 GCADRP C[C@H](C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)[NH+]1CCCC1 ZINC001180578359 1205826215 /nfs/dbraw/zinc/82/62/15/1205826215.db2.gz GAIOGEHTRCIKNF-SJLPKXTDSA-N 2 0 390.532 0.838 20 0 GCADRP C[C@@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+])[NH+](C)C ZINC001180864973 1205834791 /nfs/dbraw/zinc/83/47/91/1205834791.db2.gz NNAQEGYZOBDUEW-OZINRZGZSA-N 3 0 388.553 0.232 20 0 GCADRP CO[C@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181459756 1205844248 /nfs/dbraw/zinc/84/42/48/1205844248.db2.gz HPLXJXQZIBMPKF-WQKXAZGZSA-N 2 0 375.510 0.317 20 0 GCADRP CCOC(=O)C1(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CN(C(=O)OC(C)(C)C)C1 ZINC001181575805 1205847016 /nfs/dbraw/zinc/84/70/16/1205847016.db2.gz FCLFQHAWXPOIRG-UHFFFAOYSA-N 2 0 385.465 0.248 20 0 GCADRP CO[C@H](C)CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181601935 1205847421 /nfs/dbraw/zinc/84/74/21/1205847421.db2.gz SARUGUZCFSLKQO-NTZVIRLSSA-N 2 0 389.537 0.707 20 0 GCADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)C1(O)CC[NH+](C)CC1)CCC2 ZINC001182031098 1205853909 /nfs/dbraw/zinc/85/39/09/1205853909.db2.gz LSBBPJMQWAJTAK-UHFFFAOYSA-N 2 0 379.505 0.150 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001182011028 1205854512 /nfs/dbraw/zinc/85/45/12/1205854512.db2.gz AHBWBMPRCQIFFK-SFHVURJKSA-N 2 0 391.560 0.025 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC001182104413 1205857523 /nfs/dbraw/zinc/85/75/23/1205857523.db2.gz MXZKRNXUWXIQIZ-CQSZACIVSA-N 2 0 383.518 0.905 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(=O)C2CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001182671404 1205878182 /nfs/dbraw/zinc/87/81/82/1205878182.db2.gz IPMLNJXIWCXMKF-NZEYMJGSSA-N 2 0 385.505 0.261 20 0 GCADRP CO[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCN2C)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001185252714 1205919553 /nfs/dbraw/zinc/91/95/53/1205919553.db2.gz UCAAJAXKVWYMHB-MTQWCTHYSA-N 2 0 387.528 0.375 20 0 GCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC001185267012 1205920227 /nfs/dbraw/zinc/92/02/27/1205920227.db2.gz KVFRPRQTZYBPHE-LJQANCHMSA-N 2 0 388.512 0.800 20 0 GCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC001185267011 1205920343 /nfs/dbraw/zinc/92/03/43/1205920343.db2.gz KVFRPRQTZYBPHE-IBGZPJMESA-N 2 0 388.512 0.800 20 0 GCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)CC[C@@H]21 ZINC001186037092 1205933544 /nfs/dbraw/zinc/93/35/44/1205933544.db2.gz DXXIAQBFTWTZNG-XWSJACJDSA-N 2 0 375.517 0.650 20 0 GCADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001186038385 1205933706 /nfs/dbraw/zinc/93/37/06/1205933706.db2.gz PNMPEMYDOVSNTJ-HCXYKTFWSA-N 2 0 388.516 0.046 20 0 GCADRP CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186503615 1205940605 /nfs/dbraw/zinc/94/06/05/1205940605.db2.gz QUJPYQJVXXTDAF-MJBXVCDLSA-N 2 0 383.493 0.719 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cccnn2)[C@@H](O)OC(C)(C)C)C1 ZINC001188678730 1205988916 /nfs/dbraw/zinc/98/89/16/1205988916.db2.gz AXEHBAWFJVFEEZ-RQFGQTSKSA-N 2 0 395.504 0.386 20 0 GCADRP Cc1nn2cccnc2c1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001189383454 1206003165 /nfs/dbraw/zinc/00/31/65/1206003165.db2.gz ONBHOTJVVMFQGT-UHFFFAOYSA-N 2 0 380.518 0.684 20 0 GCADRP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)C1 ZINC001110416912 1206015322 /nfs/dbraw/zinc/01/53/22/1206015322.db2.gz BBBHBFLBKRMUMJ-ZJPYXAASSA-N 2 0 376.505 0.501 20 0 GCADRP Cn1nnc2c1CCN(c1ncnc3c1CC[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164711230 720173113 /nfs/dbraw/zinc/17/31/13/720173113.db2.gz ADECLMHDVWZRRN-SFHVURJKSA-N 2 0 398.515 0.467 20 0 GCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C3C[NH2+]C3)ncn1)CCC2 ZINC001164818268 720248131 /nfs/dbraw/zinc/24/81/31/720248131.db2.gz YAXBFOOPEJTALG-UHFFFAOYSA-N 2 0 383.500 0.971 20 0 GCADRP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745814 720769189 /nfs/dbraw/zinc/76/91/89/720769189.db2.gz VWPROYGSYWMZFD-WBVHZDCISA-N 2 0 397.483 0.739 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]2C1 ZINC001164851882 720835774 /nfs/dbraw/zinc/83/57/74/720835774.db2.gz IOCRJQGKYPPWEW-MSOLQXFVSA-N 2 0 390.532 0.402 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@H]2C1 ZINC001164851885 720835878 /nfs/dbraw/zinc/83/58/78/720835878.db2.gz IOCRJQGKYPPWEW-ZWKOTPCHSA-N 2 0 390.532 0.402 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164773655 721143087 /nfs/dbraw/zinc/14/30/87/721143087.db2.gz YNLMYXFQKCKTIV-ZWKOTPCHSA-N 2 0 382.516 0.578 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164773651 721143708 /nfs/dbraw/zinc/14/37/08/721143708.db2.gz YNLMYXFQKCKTIV-ROUUACIJSA-N 2 0 382.516 0.578 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571259861 945401931 /nfs/dbraw/zinc/40/19/31/945401931.db2.gz LTPKQGLOGOCIBC-WTTBNOFXSA-N 2 0 385.447 0.646 20 0 GCADRP CC[C@H](C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272050 945654053 /nfs/dbraw/zinc/65/40/53/945654053.db2.gz NRDGPLZIDRNNEX-APWZRJJASA-N 2 0 386.504 0.983 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283117 945876628 /nfs/dbraw/zinc/87/66/28/945876628.db2.gz ZMLLCBRRUOTMFQ-XJKCOSOUSA-N 2 0 387.463 0.942 20 0 GCADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571283715 945890638 /nfs/dbraw/zinc/89/06/38/945890638.db2.gz HTPGYZFGVZNPHC-ZDUSSCGKSA-N 2 0 387.513 0.962 20 0 GCADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001571285056 945908212 /nfs/dbraw/zinc/90/82/12/945908212.db2.gz XSEVYNNLBPQMAP-IRXDYDNUSA-N 2 0 387.488 0.524 20 0 GCADRP CCc1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(-c2nn[nH]n2)c1CC ZINC001571285219 945911019 /nfs/dbraw/zinc/91/10/19/945911019.db2.gz ZOSKSRNQEAUBSW-ZIAGYGMSSA-N 2 0 387.536 0.957 20 0 GCADRP O[C@H](CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C[NH+]1CCCC1 ZINC000826502781 948420887 /nfs/dbraw/zinc/42/08/87/948420887.db2.gz KNLREXZFSRXOAD-LJQANCHMSA-N 2 0 385.516 0.877 20 0 GCADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574930661 949104668 /nfs/dbraw/zinc/10/46/68/949104668.db2.gz LGINVCMVZKLWMK-CQSZACIVSA-N 2 0 387.488 0.572 20 0 GCADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574932386 949141889 /nfs/dbraw/zinc/14/18/89/949141889.db2.gz YXPDGWMEIPPSRM-CYBMUJFWSA-N 2 0 388.476 0.313 20 0 GCADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574932387 949142304 /nfs/dbraw/zinc/14/23/04/949142304.db2.gz YXPDGWMEIPPSRM-ZDUSSCGKSA-N 2 0 388.476 0.313 20 0 GCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575265562 949452591 /nfs/dbraw/zinc/45/25/91/949452591.db2.gz USWCLEBOXGDOGU-NWDGAFQWSA-N 2 0 375.502 0.816 20 0 GCADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574711653 949544683 /nfs/dbraw/zinc/54/46/83/949544683.db2.gz JXEBQUXRJFDJFT-OCCSQVGLSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711824 949554943 /nfs/dbraw/zinc/55/49/43/949554943.db2.gz MRENOUYMJBLSBO-OLZOCXBDSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283018 949856980 /nfs/dbraw/zinc/85/69/80/949856980.db2.gz MLYZVDCVTBXXGZ-STQMWFEESA-N 2 0 388.476 0.100 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576191377 950193164 /nfs/dbraw/zinc/19/31/64/950193164.db2.gz FQLLENIFBPHMTR-PBHICJAKSA-N 2 0 387.488 0.117 20 0 GCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574158723 950287440 /nfs/dbraw/zinc/28/74/40/950287440.db2.gz RGHDNSXGLPSZHX-CABCVRRESA-N 2 0 386.504 0.968 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576194238 950329920 /nfs/dbraw/zinc/32/99/20/950329920.db2.gz YAKILJGJCBAQFR-YOEHRIQHSA-N 2 0 387.488 0.117 20 0 GCADRP CC1CC[NH+](CC(=O)N2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001576196287 950362656 /nfs/dbraw/zinc/36/26/56/950362656.db2.gz CHQILNMRAFAUSJ-UHFFFAOYSA-N 2 0 384.488 0.818 20 0 GCADRP CC1CC[NH+](CC(=O)N2CC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576196409 950362896 /nfs/dbraw/zinc/36/28/96/950362896.db2.gz CPLGWXHSCVDJFW-OAHLLOKOSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198012 950403768 /nfs/dbraw/zinc/40/37/68/950403768.db2.gz RBHCXAYRMXWYQE-GJZGRUSLSA-N 2 0 384.488 0.888 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)NC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001576204895 950484115 /nfs/dbraw/zinc/48/41/15/950484115.db2.gz RZSAASXAUNEFCC-AWEZNQCLSA-N 2 0 384.488 0.866 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208139 950604486 /nfs/dbraw/zinc/60/44/86/950604486.db2.gz NDBSYVBTORCLJH-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208943 950620247 /nfs/dbraw/zinc/62/02/47/950620247.db2.gz VNCWAGJRFJPRKY-QWHCGFSZSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001576213530 950630585 /nfs/dbraw/zinc/63/05/85/950630585.db2.gz BVMDPCRRRUCIPS-HVOFVXBASA-N 2 0 387.513 0.816 20 0 GCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229181 950965441 /nfs/dbraw/zinc/96/54/41/950965441.db2.gz JOSXTUONIULDRB-ZIAGYGMSSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574772515 950971293 /nfs/dbraw/zinc/97/12/93/950971293.db2.gz SZYJTFUISYMVKA-OLZOCXBDSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575080708 951714525 /nfs/dbraw/zinc/71/45/25/951714525.db2.gz NDCZKKFJZIAWRB-CHWSQXEVSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082341 951732403 /nfs/dbraw/zinc/73/24/03/951732403.db2.gz XKQJFJOCSBHVGW-LRDDRELGSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082343 951732714 /nfs/dbraw/zinc/73/27/14/951732714.db2.gz XKQJFJOCSBHVGW-WBMJQRKESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089408 951749271 /nfs/dbraw/zinc/74/92/71/951749271.db2.gz FLEHZNMODZRXIM-WBMJQRKESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575091527 951778611 /nfs/dbraw/zinc/77/86/11/951778611.db2.gz UCZVOXBNQCOOME-CYBMUJFWSA-N 2 0 375.452 0.944 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575101513 951860129 /nfs/dbraw/zinc/86/01/29/951860129.db2.gz GEOITPWCNZNAOT-JSGCOSHPSA-N 2 0 375.452 0.894 20 0 GCADRP O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571190074 952939573 /nfs/dbraw/zinc/93/95/73/952939573.db2.gz DQVRVWACTFFYSA-KSZLIROESA-N 2 0 381.484 0.945 20 0 GCADRP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001571219083 953122138 /nfs/dbraw/zinc/12/21/38/953122138.db2.gz UVRQSYXMSWYPHL-LOUJCGABSA-N 2 0 382.472 0.760 20 0 GCADRP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001571219086 953122685 /nfs/dbraw/zinc/12/26/85/953122685.db2.gz UVRQSYXMSWYPHL-UMPJEAMMSA-N 2 0 382.472 0.760 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571250007 953308094 /nfs/dbraw/zinc/30/80/94/953308094.db2.gz NFHZUYBTGOORSP-CKEIUWERSA-N 2 0 384.488 0.863 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571251806 953320281 /nfs/dbraw/zinc/32/02/81/953320281.db2.gz AJDRLVOETKWWHH-HNNXBMFYSA-N 2 0 384.488 0.963 20 0 GCADRP Cc1cc(N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571251885 953320312 /nfs/dbraw/zinc/32/03/12/953320312.db2.gz CDKHRRFZSGOFSL-XJKSGUPXSA-N 2 0 384.488 0.735 20 0 GCADRP Cc1cc(N[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252241 953325196 /nfs/dbraw/zinc/32/51/96/953325196.db2.gz IPHUUGAMYXSIGN-CABCVRRESA-N 2 0 384.488 0.737 20 0 GCADRP Cc1cc(N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252311 953325874 /nfs/dbraw/zinc/32/58/74/953325874.db2.gz KPPKFFCTJXEWBM-OAHLLOKOSA-N 2 0 384.488 0.997 20 0 GCADRP Cc1cc(N(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252463 953328041 /nfs/dbraw/zinc/32/80/41/953328041.db2.gz NIESBYABCZVVPR-CQSZACIVSA-N 2 0 384.488 0.949 20 0 GCADRP C[NH+]1CCC(CC(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571252895 953333619 /nfs/dbraw/zinc/33/36/19/953333619.db2.gz YKKGZSQSWBTTDG-UHFFFAOYSA-N 2 0 384.488 0.722 20 0 GCADRP Cc1cc(N(C)C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252909 953333710 /nfs/dbraw/zinc/33/37/10/953333710.db2.gz YRZKQGMSLMKYMT-GOEBONIOSA-N 2 0 384.488 0.949 20 0 GCADRP C[N@H+](CC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571252873 953333994 /nfs/dbraw/zinc/33/39/94/953333994.db2.gz XPWQIOWLGSCWGS-IBGZPJMESA-N 2 0 384.488 0.818 20 0 GCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000497293597 530380480 /nfs/dbraw/zinc/38/04/80/530380480.db2.gz MNHGVBKZPSKKFZ-HNNXBMFYSA-N 2 0 375.535 0.147 20 0 GCADRP CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000497903452 530394652 /nfs/dbraw/zinc/39/46/52/530394652.db2.gz MRHTUFPWSZRLCQ-INIZCTEOSA-N 2 0 385.555 0.978 20 0 GCADRP C[NH+](C)CCSCC(=O)N1CCN(C(=O)CSCC[NH+](C)C)CC1 ZINC000535255319 530499829 /nfs/dbraw/zinc/49/98/29/530499829.db2.gz OHOCEYIXDVXKDF-UHFFFAOYSA-N 2 0 376.592 0.247 20 0 GCADRP COC(=O)c1cc(F)ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576689554 530611051 /nfs/dbraw/zinc/61/10/51/530611051.db2.gz PJMDODSXDCAYRG-UHFFFAOYSA-N 2 0 375.466 0.726 20 0 GCADRP C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532748637 530672143 /nfs/dbraw/zinc/67/21/43/530672143.db2.gz AOCAXQUEYMOHLH-ZDUSSCGKSA-N 2 0 376.548 0.367 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000584509199 530917108 /nfs/dbraw/zinc/91/71/08/530917108.db2.gz IFYMWJDBQUKIBQ-UHFFFAOYSA-N 2 0 386.294 0.734 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000509265086 530917143 /nfs/dbraw/zinc/91/71/43/530917143.db2.gz SSIFKXXTAJSWQY-UHFFFAOYSA-N 2 0 376.567 0.438 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000527289937 530997464 /nfs/dbraw/zinc/99/74/64/530997464.db2.gz SQHYXLSCOXIIAW-UHFFFAOYSA-N 2 0 376.548 0.786 20 0 GCADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000423391876 531017294 /nfs/dbraw/zinc/01/72/94/531017294.db2.gz PNWOAZDZUXNYBS-SMDDNHRTSA-N 2 0 380.436 0.821 20 0 GCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662403029 531020298 /nfs/dbraw/zinc/02/02/98/531020298.db2.gz RVSUKHCJZUKFPL-UHFFFAOYSA-N 2 0 380.495 0.883 20 0 GCADRP CN(CCNC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000438363837 531153988 /nfs/dbraw/zinc/15/39/88/531153988.db2.gz MBRUIYHZXSVBOQ-CABCVRRESA-N 2 0 388.603 0.436 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)ccn1 ZINC000359900915 212122939 /nfs/dbraw/zinc/12/29/39/212122939.db2.gz QPKDIOYAJAPKKK-GOSISDBHSA-N 2 0 391.516 0.110 20 0 GCADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736147280 598349198 /nfs/dbraw/zinc/34/91/98/598349198.db2.gz LZALRNYFUIJCBU-AWEZNQCLSA-N 2 0 387.488 0.830 20 0 GCADRP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000738450820 599453052 /nfs/dbraw/zinc/45/30/52/599453052.db2.gz XVWKSCGZPJFFHB-UONOGXRCSA-N 2 0 387.492 0.195 20 0 GCADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736768735 599487914 /nfs/dbraw/zinc/48/79/14/599487914.db2.gz JHKURGJLUCWZBJ-UHFFFAOYSA-N 2 0 383.504 0.878 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825866506 608331570 /nfs/dbraw/zinc/33/15/70/608331570.db2.gz ZOHSPZCGJIXDKW-UHFFFAOYSA-N 2 0 399.496 0.261 20 0 GCADRP Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826030019 609339275 /nfs/dbraw/zinc/33/92/75/609339275.db2.gz ZPXWTJZDQZSMKX-UHFFFAOYSA-N 2 0 382.472 0.814 20 0 GCADRP [NH3+][C@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000911701816 639521436 /nfs/dbraw/zinc/52/14/36/639521436.db2.gz FSANVAXTWFWVMH-AWEZNQCLSA-N 2 0 383.290 0.257 20 0 GCADRP C[NH+]1CCC(NC(=S)NCCCNC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063142740 639636705 /nfs/dbraw/zinc/63/67/05/639636705.db2.gz GPFKHHKNWDQIPJ-UHFFFAOYSA-N 2 0 386.635 0.493 20 0 GCADRP [NH3+]CC[C@H]1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923490524 640139152 /nfs/dbraw/zinc/13/91/52/640139152.db2.gz VBYLBOISKUQVOV-GJZGRUSLSA-N 2 0 385.555 0.935 20 0 GCADRP Cn1ncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1Br ZINC000866731136 641319733 /nfs/dbraw/zinc/31/97/33/641319733.db2.gz PXTSNGCBVMYCRR-UHFFFAOYSA-N 2 0 382.328 0.297 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870020105 641432006 /nfs/dbraw/zinc/43/20/06/641432006.db2.gz CRURNKBWKGXZTC-RBSFLKMASA-N 2 0 376.567 0.148 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1C[NH+](C)C ZINC000870024349 641432122 /nfs/dbraw/zinc/43/21/22/641432122.db2.gz ZLHJDFNRJPZPHZ-ZIAGYGMSSA-N 2 0 399.333 0.809 20 0 GCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000883471081 641752966 /nfs/dbraw/zinc/75/29/66/641752966.db2.gz ULFDHMFIXCRULC-UHFFFAOYSA-N 2 0 385.456 0.963 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)CCSC1 ZINC000884612922 641787042 /nfs/dbraw/zinc/78/70/42/641787042.db2.gz XUIGRYFJSIPPQD-MRXNPFEDSA-N 2 0 383.543 0.040 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000893493760 1192165464 /nfs/dbraw/zinc/16/54/64/1192165464.db2.gz FHKFYQOJNCPHHK-UHFFFAOYSA-N 2 0 397.564 0.369 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662965015 1192172166 /nfs/dbraw/zinc/17/21/66/1192172166.db2.gz BVLUKAIJIPSKLD-VAMGGRTRSA-N 2 0 384.524 0.972 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000662974139 1192174959 /nfs/dbraw/zinc/17/49/59/1192174959.db2.gz DGOYPQCGJUCJKF-ZCNNSNEGSA-N 2 0 384.524 0.972 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000662974136 1192175056 /nfs/dbraw/zinc/17/50/56/1192175056.db2.gz DGOYPQCGJUCJKF-AQNXPRMDSA-N 2 0 384.524 0.972 20 0 GCADRP COC1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]CC1 ZINC000663015754 1192184947 /nfs/dbraw/zinc/18/49/47/1192184947.db2.gz YCLFAMXPYJWPKS-OAHLLOKOSA-N 2 0 376.505 0.294 20 0 GCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349668 1192200113 /nfs/dbraw/zinc/20/01/13/1192200113.db2.gz YNGCAYIUBNAZLT-KZNAEPCWSA-N 2 0 388.516 0.344 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000661979459 1192210401 /nfs/dbraw/zinc/21/04/01/1192210401.db2.gz XIDMSUYMKRRVFO-SFHVURJKSA-N 2 0 393.532 0.189 20 0 GCADRP CC(C)O[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000652409347 1192216409 /nfs/dbraw/zinc/21/64/09/1192216409.db2.gz OTBDDPMWDVPBQB-SFHVURJKSA-N 2 0 382.549 0.887 20 0 GCADRP O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000652427032 1192220357 /nfs/dbraw/zinc/22/03/57/1192220357.db2.gz PMDGBBQVECLUBW-IBGZPJMESA-N 2 0 381.565 0.958 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c2ccccc2)CC1 ZINC000636719342 1192282957 /nfs/dbraw/zinc/28/29/57/1192282957.db2.gz QJDAUZVDSRWJEI-OALUTQOASA-N 2 0 375.517 0.341 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662445853 1192297067 /nfs/dbraw/zinc/29/70/67/1192297067.db2.gz WCZRSXKAAUGCKN-UHFFFAOYSA-N 2 0 377.489 0.768 20 0 GCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652643602 1192300771 /nfs/dbraw/zinc/30/07/71/1192300771.db2.gz RXRZKNOHZKCBLU-UHFFFAOYSA-N 2 0 376.505 0.984 20 0 GCADRP OC1CC[NH+](CCCNc2cnc(NCCC[NH+]3CCC(O)CC3)cn2)CC1 ZINC000663403214 1192323597 /nfs/dbraw/zinc/32/35/97/1192323597.db2.gz RBFCSLQXXHZOIE-UHFFFAOYSA-N 2 0 392.548 0.994 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643502285 1192368925 /nfs/dbraw/zinc/36/89/25/1192368925.db2.gz BXKDZOSLJMFIGG-FHWLQOOXSA-N 2 0 394.560 0.794 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652668047 1192390528 /nfs/dbraw/zinc/39/05/28/1192390528.db2.gz MCSUNTXQGVTCMZ-GBESFXJTSA-N 2 0 394.560 0.970 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663579809 1192401541 /nfs/dbraw/zinc/40/15/41/1192401541.db2.gz JJNBQGGYXMMBIE-LJQANCHMSA-N 2 0 381.565 0.909 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1NC(=O)CC[NH+](C)C ZINC000663612656 1192416761 /nfs/dbraw/zinc/41/67/61/1192416761.db2.gz SRGNEINECJGXJA-IBGZPJMESA-N 2 0 375.473 0.692 20 0 GCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663612138 1192417452 /nfs/dbraw/zinc/41/74/52/1192417452.db2.gz GEPFUZSWQLGQKE-FQEVSTJZSA-N 2 0 389.500 0.120 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H](c2ccccc2)C1 ZINC000663646354 1192444584 /nfs/dbraw/zinc/44/45/84/1192444584.db2.gz LGOZTWKFLRBVKN-UFYCRDLUSA-N 2 0 389.544 0.682 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000432448470 1192450447 /nfs/dbraw/zinc/45/04/47/1192450447.db2.gz IOVRPLVGWPVRFM-GOSISDBHSA-N 2 0 397.564 0.635 20 0 GCADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000410566276 1192470135 /nfs/dbraw/zinc/47/01/35/1192470135.db2.gz XYCBDVOXWKQYLV-UHFFFAOYSA-N 2 0 380.533 0.357 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[NH+]1CCC(C)CC1 ZINC000652677883 1192475778 /nfs/dbraw/zinc/47/57/78/1192475778.db2.gz KZJMRYQJAPUXAJ-HCXYKTFWSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)[NH+]1CCC(C)CC1 ZINC000652677885 1192475908 /nfs/dbraw/zinc/47/59/08/1192475908.db2.gz KZJMRYQJAPUXAJ-YDZRNGNQSA-N 2 0 394.560 0.968 20 0 GCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000433463792 1192486424 /nfs/dbraw/zinc/48/64/24/1192486424.db2.gz AMQWYBLDBJPWBP-ZVDOUQERSA-N 2 0 382.593 0.947 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000509735680 1192530851 /nfs/dbraw/zinc/53/08/51/1192530851.db2.gz GDMMVFVYGFKGQB-WMZOPIPTSA-N 2 0 380.533 0.546 20 0 GCADRP NC(=O)[C@H]1CCCN1C(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])c(Cl)c1 ZINC001167881112 1192569128 /nfs/dbraw/zinc/56/91/28/1192569128.db2.gz WZNXCEVZAVBMEM-GFCCVEGCSA-N 2 0 381.868 0.500 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000500455195 1192617520 /nfs/dbraw/zinc/61/75/20/1192617520.db2.gz GOZFTQLNXJQGFC-UHFFFAOYSA-N 2 0 394.560 0.938 20 0 GCADRP COCC1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000418619279 1192620320 /nfs/dbraw/zinc/62/03/20/1192620320.db2.gz PMXBQEGDPOFCKM-ZDUSSCGKSA-N 2 0 381.443 0.138 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)C[C@@H](C)O1 ZINC000500464016 1192622265 /nfs/dbraw/zinc/62/22/65/1192622265.db2.gz PDVNEVOTYPPMCN-IAGOWNOFSA-N 2 0 394.560 0.935 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000418671579 1192627938 /nfs/dbraw/zinc/62/79/38/1192627938.db2.gz LFWGWWVRUWYJCM-ACBHZAAOSA-N 2 0 381.565 0.595 20 0 GCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000418669982 1192629173 /nfs/dbraw/zinc/62/91/73/1192629173.db2.gz PWGQQNSIFFQSSN-MYZZLAAOSA-N 2 0 395.548 0.120 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418760244 1192640809 /nfs/dbraw/zinc/64/08/09/1192640809.db2.gz JWWAQSPSVOHEEH-IPMKNSEASA-N 2 0 375.517 0.072 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418783168 1192644787 /nfs/dbraw/zinc/64/47/87/1192644787.db2.gz OBFYXJHLWQPMCR-QUCCMNQESA-N 2 0 399.539 0.525 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418796274 1192647185 /nfs/dbraw/zinc/64/71/85/1192647185.db2.gz DQKZXFIRVZQKHF-GOSISDBHSA-N 2 0 394.560 0.843 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000418797024 1192647768 /nfs/dbraw/zinc/64/77/68/1192647768.db2.gz FWYLYYADSCKFNA-QGZVFWFLSA-N 2 0 394.560 0.971 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418798093 1192647814 /nfs/dbraw/zinc/64/78/14/1192647814.db2.gz GVENUDMITSDQAF-GOSISDBHSA-N 2 0 394.560 0.986 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@@H]1C[NH3+] ZINC000418809381 1192651821 /nfs/dbraw/zinc/65/18/21/1192651821.db2.gz SNOSVHFRYPUJKC-QZTJIDSGSA-N 2 0 394.560 0.971 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H](C)[NH2+]1 ZINC000418810668 1192651918 /nfs/dbraw/zinc/65/19/18/1192651918.db2.gz UTVJOAFKSTXDFL-IRXDYDNUSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418813629 1192653475 /nfs/dbraw/zinc/65/34/75/1192653475.db2.gz YWTLSEDWMRFMDF-IAGOWNOFSA-N 2 0 380.533 0.581 20 0 GCADRP COC(=O)CCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000418826845 1192656896 /nfs/dbraw/zinc/65/68/96/1192656896.db2.gz CZLSCXWMRBYVPD-UHFFFAOYSA-N 2 0 390.484 0.166 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)[NH+](C)C)cc1OC ZINC000418828446 1192658319 /nfs/dbraw/zinc/65/83/19/1192658319.db2.gz HYXYLLMDWQUSDJ-HIFRSBDPSA-N 2 0 378.473 0.243 20 0 GCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418837915 1192658975 /nfs/dbraw/zinc/65/89/75/1192658975.db2.gz BNRVFECPQBRBNW-GOSISDBHSA-N 2 0 387.528 0.036 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[NH+](C)C)cc1OC ZINC000418833345 1192660598 /nfs/dbraw/zinc/66/05/98/1192660598.db2.gz NEZXRACCDNXCRD-YWZLYKJASA-N 2 0 392.500 0.620 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)cc1OC ZINC000418836176 1192660909 /nfs/dbraw/zinc/66/09/09/1192660909.db2.gz QTGICPVRFLLCKY-PMPSAXMXSA-N 2 0 390.484 0.243 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418841251 1192662866 /nfs/dbraw/zinc/66/28/66/1192662866.db2.gz ABDJLDGEOFWUCU-CRAIPNDOSA-N 2 0 376.501 0.920 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[NH+](C)C)cc1OC ZINC000418841982 1192663078 /nfs/dbraw/zinc/66/30/78/1192663078.db2.gz ZKQVKTKVDOSVQB-IJEWVQPXSA-N 2 0 392.500 0.632 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418841965 1192663214 /nfs/dbraw/zinc/66/32/14/1192663214.db2.gz ZKAOYJFUABWBSH-GDBMZVCRSA-N 2 0 392.500 0.539 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c2cccs2)CC1 ZINC000418849800 1192665185 /nfs/dbraw/zinc/66/51/85/1192665185.db2.gz NHYNOMCWYLRTSL-OAHLLOKOSA-N 2 0 382.530 0.417 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000418855841 1192668130 /nfs/dbraw/zinc/66/81/30/1192668130.db2.gz VRLHZGNYBHXTAU-HZPDHXFCSA-N 2 0 394.541 0.742 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000418854430 1192669443 /nfs/dbraw/zinc/66/94/43/1192669443.db2.gz TVZWPXZGLMEYMR-CVEARBPZSA-N 2 0 394.541 0.823 20 0 GCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418861457 1192671658 /nfs/dbraw/zinc/67/16/58/1192671658.db2.gz MWSUFGKZXPWTGN-MOPGFXCFSA-N 2 0 387.528 0.164 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)c1 ZINC000418863740 1192672100 /nfs/dbraw/zinc/67/21/00/1192672100.db2.gz PSOKFEKKTHYEGH-FAJBIJEISA-N 2 0 388.512 0.918 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418869415 1192672865 /nfs/dbraw/zinc/67/28/65/1192672865.db2.gz XDMALWIZKGGVAU-MSOLQXFVSA-N 2 0 376.501 0.680 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418869747 1192672943 /nfs/dbraw/zinc/67/29/43/1192672943.db2.gz XHCKQYUAGRHPNA-IEBWSBKVSA-N 2 0 387.528 0.116 20 0 GCADRP C[C@]1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCC[NH2+]C1 ZINC000418880478 1192677776 /nfs/dbraw/zinc/67/77/76/1192677776.db2.gz PJSAEZIAISAONB-RXVVDRJESA-N 2 0 388.512 0.375 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000418881918 1192678705 /nfs/dbraw/zinc/67/87/05/1192678705.db2.gz YDGPUQJMRXGJQS-LJQANCHMSA-N 2 0 386.496 0.984 20 0 GCADRP [NH3+][C@H](CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000418883292 1192678726 /nfs/dbraw/zinc/67/87/26/1192678726.db2.gz USGHOURRECCZDA-VQTJNVASSA-N 2 0 396.491 0.686 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H]1C[NH3+] ZINC000418878614 1192674584 /nfs/dbraw/zinc/67/45/84/1192674584.db2.gz LQSZAUYDXBPFJB-LZQZEXGQSA-N 2 0 388.512 0.455 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000418878718 1192674760 /nfs/dbraw/zinc/67/47/60/1192674760.db2.gz LYUVDKGRVMFCGJ-SFHVURJKSA-N 2 0 388.512 0.647 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000418930322 1192694181 /nfs/dbraw/zinc/69/41/81/1192694181.db2.gz BQPPTWRKXQAHQL-KRWDZBQOSA-N 2 0 395.548 0.072 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c2ccccc2)CC1 ZINC000418944261 1192696908 /nfs/dbraw/zinc/69/69/08/1192696908.db2.gz MDADKXZWUPIFJU-GOSISDBHSA-N 2 0 376.501 0.355 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418952734 1192700501 /nfs/dbraw/zinc/70/05/01/1192700501.db2.gz KJWUTWNWKWHIOL-KZNAEPCWSA-N 2 0 380.533 0.471 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000418952803 1192700545 /nfs/dbraw/zinc/70/05/45/1192700545.db2.gz KQOFFLRZGXEHRH-RBUKOAKNSA-N 2 0 394.560 0.909 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418953172 1192700624 /nfs/dbraw/zinc/70/06/24/1192700624.db2.gz KZKDSKOTPWQUAJ-HOCLYGCPSA-N 2 0 377.489 0.367 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000418953923 1192700908 /nfs/dbraw/zinc/70/09/08/1192700908.db2.gz MLDIOBIYUHRCOZ-YESZJQIVSA-N 2 0 380.533 0.375 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccn1 ZINC000418956513 1192701590 /nfs/dbraw/zinc/70/15/90/1192701590.db2.gz SIUKLRLAYMXRGL-ULQDDVLXSA-N 2 0 389.500 0.224 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000418955567 1192701658 /nfs/dbraw/zinc/70/16/58/1192701658.db2.gz QPONUSIMTRRALM-JKSUJKDBSA-N 2 0 377.489 0.272 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCCC1 ZINC000418956942 1192701782 /nfs/dbraw/zinc/70/17/82/1192701782.db2.gz SZNXOGCPJOZPBT-GBESFXJTSA-N 2 0 394.560 0.894 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H]1C[NH3+] ZINC000418955559 1192701951 /nfs/dbraw/zinc/70/19/51/1192701951.db2.gz QPECPSYVRNIXLF-GDBMZVCRSA-N 2 0 377.489 0.224 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418960957 1192702656 /nfs/dbraw/zinc/70/26/56/1192702656.db2.gz JJFDJIMADNZEOC-BPQIPLTHSA-N 2 0 376.501 0.588 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000418960372 1192705556 /nfs/dbraw/zinc/70/55/56/1192705556.db2.gz IVGXYOGLVLTXPA-SJORKVTESA-N 2 0 388.512 0.986 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000418966315 1192704578 /nfs/dbraw/zinc/70/45/78/1192704578.db2.gz QKZVQFLAHOLAJM-UHFFFAOYSA-N 2 0 388.512 0.988 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419010966 1192717189 /nfs/dbraw/zinc/71/71/89/1192717189.db2.gz ZJAAZQDYWWVIEV-QZTJIDSGSA-N 2 0 376.501 0.589 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000419008229 1192715514 /nfs/dbraw/zinc/71/55/14/1192715514.db2.gz VHWXVTMRMKABSJ-MSOLQXFVSA-N 2 0 380.533 0.724 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419020413 1192722073 /nfs/dbraw/zinc/72/20/73/1192722073.db2.gz FSRXAIGBVHUXRO-BFYDXBDKSA-N 2 0 391.520 0.137 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419026766 1192728575 /nfs/dbraw/zinc/72/85/75/1192728575.db2.gz NSCOFKDJQNKPDA-UKBAYJJMSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419030163 1192729415 /nfs/dbraw/zinc/72/94/15/1192729415.db2.gz SPMHZLATADCCRH-IKGGRYGDSA-N 2 0 395.548 0.069 20 0 GCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000237213205 1192734085 /nfs/dbraw/zinc/73/40/85/1192734085.db2.gz PXPDVTQIHXFJTB-LJQANCHMSA-N 2 0 387.528 0.361 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCC[NH+]4C[C@H]3C)CC2)CCO1 ZINC000410592322 1192736654 /nfs/dbraw/zinc/73/66/54/1192736654.db2.gz YJBGNCPPCICQFB-NUJGCVRESA-N 2 0 378.517 0.393 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419044389 1192737881 /nfs/dbraw/zinc/73/78/81/1192737881.db2.gz PTLYAGKIKCDDBN-GDBMZVCRSA-N 2 0 384.521 0.221 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000419044361 1192738227 /nfs/dbraw/zinc/73/82/27/1192738227.db2.gz TWPKGAIIFXAXQC-MHORFTMASA-N 2 0 382.549 0.825 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@H](C)C1 ZINC000419044188 1192738362 /nfs/dbraw/zinc/73/83/62/1192738362.db2.gz SOJFLIADKWCUIQ-QZWWFDLISA-N 2 0 398.548 0.469 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000419041121 1192739566 /nfs/dbraw/zinc/73/95/66/1192739566.db2.gz NFXYJAUJWAERQJ-ZJPYXAASSA-N 2 0 382.549 0.873 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000419042396 1192739967 /nfs/dbraw/zinc/73/99/67/1192739967.db2.gz OZBQCNWFHALHMY-XWTMOSNGSA-N 2 0 382.549 0.968 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])[C@@H](C)C1 ZINC000419045607 1192740015 /nfs/dbraw/zinc/74/00/15/1192740015.db2.gz WRJOLNXSRPYDND-XLAORIBOSA-N 2 0 382.549 0.825 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])[C@H](C)C1 ZINC000419042394 1192740285 /nfs/dbraw/zinc/74/02/85/1192740285.db2.gz OZBQCNWFHALHMY-VSZNYVQBSA-N 2 0 382.549 0.968 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000419047662 1192744220 /nfs/dbraw/zinc/74/42/20/1192744220.db2.gz YKVCQQFDYYJUII-SZMVWBNQSA-N 2 0 380.533 0.578 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419058426 1192750495 /nfs/dbraw/zinc/75/04/95/1192750495.db2.gz PVKNBUHXRNXCMF-GUDVDZBRSA-N 2 0 388.512 0.589 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419057739 1192751831 /nfs/dbraw/zinc/75/18/31/1192751831.db2.gz ORECFWSIIGTBBP-IPMKNSEASA-N 2 0 388.512 0.447 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419054825 1192752521 /nfs/dbraw/zinc/75/25/21/1192752521.db2.gz IMWCOXMJVGFKEU-IEBWSBKVSA-N 2 0 388.512 0.589 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419057224 1192753655 /nfs/dbraw/zinc/75/36/55/1192753655.db2.gz NNROHGAXHVDHMS-IEBWSBKVSA-N 2 0 388.512 0.508 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410615585 1192758277 /nfs/dbraw/zinc/75/82/77/1192758277.db2.gz PZBRRGSZHUOMHE-QRVBRYPASA-N 2 0 392.544 0.642 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237835115 1192765648 /nfs/dbraw/zinc/76/56/48/1192765648.db2.gz XMKDFEMHDQFBEA-FPOVZHCZSA-N 2 0 397.523 0.982 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000410626363 1192771084 /nfs/dbraw/zinc/77/10/84/1192771084.db2.gz ZEAHWXIQFKXEFG-SCTDSRPQSA-N 2 0 392.544 0.783 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419081911 1192777920 /nfs/dbraw/zinc/77/79/20/1192777920.db2.gz ZGGPPDJENSUQDL-LJQANCHMSA-N 2 0 388.512 0.510 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000419083479 1192777939 /nfs/dbraw/zinc/77/79/39/1192777939.db2.gz RJJIUEOAXDCEJU-ZTFGCOKTSA-N 2 0 376.501 1.000 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1 ZINC000500782404 1192781868 /nfs/dbraw/zinc/78/18/68/1192781868.db2.gz HXVSUADAOXAOPL-UHFFFAOYSA-N 2 0 394.560 0.986 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000419098089 1192784564 /nfs/dbraw/zinc/78/45/64/1192784564.db2.gz BKSJSHKXIMJKHK-QGZVFWFLSA-N 2 0 388.512 0.640 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419104659 1192792419 /nfs/dbraw/zinc/79/24/19/1192792419.db2.gz ATXKNGRMHJQHND-INIZCTEOSA-N 2 0 376.505 0.083 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000419120597 1192793661 /nfs/dbraw/zinc/79/36/61/1192793661.db2.gz CNFBBDBXKIXZAM-QZTJIDSGSA-N 2 0 375.517 0.191 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H]1C[NH3+] ZINC000419122964 1192795288 /nfs/dbraw/zinc/79/52/88/1192795288.db2.gz XLYLJXODQMSUGT-RDJZCZTQSA-N 2 0 388.516 0.035 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H]1C[NH3+] ZINC000419122962 1192795552 /nfs/dbraw/zinc/79/55/52/1192795552.db2.gz XLYLJXODQMSUGT-DOTOQJQBSA-N 2 0 388.516 0.035 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)cn2)CC1 ZINC000419123684 1192796019 /nfs/dbraw/zinc/79/60/19/1192796019.db2.gz YRLNWBWOJSQVAB-KRWDZBQOSA-N 2 0 388.516 0.083 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CC[NH+](C)CC1 ZINC000419128211 1192798030 /nfs/dbraw/zinc/79/80/30/1192798030.db2.gz VOISWTBVNUCVOG-RBUKOAKNSA-N 2 0 393.576 0.365 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419112330 1192799017 /nfs/dbraw/zinc/79/90/17/1192799017.db2.gz JXPDCFZYBRYHRK-NVXWUHKLSA-N 2 0 388.516 0.178 20 0 GCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000419113364 1192799476 /nfs/dbraw/zinc/79/94/76/1192799476.db2.gz WBAMOGBWVSOSAW-GOSISDBHSA-N 2 0 388.512 0.627 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419114723 1192800808 /nfs/dbraw/zinc/80/08/08/1192800808.db2.gz SIGUHFKXZVTEDG-RYQLBKOJSA-N 2 0 376.501 0.588 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)(C)C ZINC000419131842 1192806161 /nfs/dbraw/zinc/80/61/61/1192806161.db2.gz HAFZNYWBPJTKFO-HOTGVXAUSA-N 2 0 393.536 0.383 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000419133577 1192806835 /nfs/dbraw/zinc/80/68/35/1192806835.db2.gz IVTXNRXKLKEFNW-UHFFFAOYSA-N 2 0 376.501 0.749 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419135226 1192807734 /nfs/dbraw/zinc/80/77/34/1192807734.db2.gz MCMYLOSUMBKZEW-CGTJXYLNSA-N 2 0 388.512 0.996 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419135229 1192807844 /nfs/dbraw/zinc/80/78/44/1192807844.db2.gz MCMYLOSUMBKZEW-SZMVWBNQSA-N 2 0 388.512 0.996 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419135227 1192808016 /nfs/dbraw/zinc/80/80/16/1192808016.db2.gz MCMYLOSUMBKZEW-JQHSSLGASA-N 2 0 388.512 0.996 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419151059 1192810757 /nfs/dbraw/zinc/81/07/57/1192810757.db2.gz MYLJUGGNTLQIHI-RDJZCZTQSA-N 2 0 376.501 0.972 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419145025 1192814296 /nfs/dbraw/zinc/81/42/96/1192814296.db2.gz GFZBBSKXAOLGCA-UHFFFAOYSA-N 2 0 376.505 0.083 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+]2CCCC2)cc1 ZINC000419157741 1192817489 /nfs/dbraw/zinc/81/74/89/1192817489.db2.gz LMQDGTBDUDXHSX-OALUTQOASA-N 2 0 388.512 0.743 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419160463 1192818224 /nfs/dbraw/zinc/81/82/24/1192818224.db2.gz HLIMUYVLDOZFAB-MSOLQXFVSA-N 2 0 376.501 0.445 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419161464 1192819019 /nfs/dbraw/zinc/81/90/19/1192819019.db2.gz IYQYIDVYDHRLST-MSOLQXFVSA-N 2 0 376.501 0.364 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419162253 1192820562 /nfs/dbraw/zinc/82/05/62/1192820562.db2.gz UBIADHAWSLPEJL-NVXWUHKLSA-N 2 0 388.516 0.178 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCC(C)CC1 ZINC000419162030 1192820800 /nfs/dbraw/zinc/82/08/00/1192820800.db2.gz SWGJZPBXBPYSCU-DLBZAZTESA-N 2 0 395.548 0.069 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419162255 1192820961 /nfs/dbraw/zinc/82/09/61/1192820961.db2.gz UBIADHAWSLPEJL-RDJZCZTQSA-N 2 0 388.516 0.178 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161880 1192821085 /nfs/dbraw/zinc/82/10/85/1192821085.db2.gz FLYOSSSQSQOQRU-QRQLOZEOSA-N 2 0 388.512 0.650 20 0 GCADRP [NH3+]C1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000419163399 1192821103 /nfs/dbraw/zinc/82/11/03/1192821103.db2.gz JTZQFSMFZLEVDQ-ACBHZAAOSA-N 2 0 388.512 0.780 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@@H](C[NH3+])C1 ZINC000419155465 1192823253 /nfs/dbraw/zinc/82/32/53/1192823253.db2.gz RNCYJDVYYFHPFM-QZTJIDSGSA-N 2 0 382.549 0.825 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000419153768 1192823419 /nfs/dbraw/zinc/82/34/19/1192823419.db2.gz QHUBVASZYXBLMO-SNRMKQJTSA-N 2 0 386.496 0.610 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@H](C[NH3+])C1 ZINC000419155469 1192823579 /nfs/dbraw/zinc/82/35/79/1192823579.db2.gz RNCYJDVYYFHPFM-ZWKOTPCHSA-N 2 0 382.549 0.825 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419156414 1192824288 /nfs/dbraw/zinc/82/42/88/1192824288.db2.gz VCCSPDYCNAMCGO-OKZBNKHCSA-N 2 0 388.512 0.829 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1(C)C ZINC000419178412 1192828537 /nfs/dbraw/zinc/82/85/37/1192828537.db2.gz GAPQECBZLHIVBG-UHFFFAOYSA-N 2 0 375.517 0.116 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419167662 1192829186 /nfs/dbraw/zinc/82/91/86/1192829186.db2.gz QRYQWCLMVZCBEX-FUHWJXTLSA-N 2 0 376.501 0.365 20 0 GCADRP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419167986 1192829377 /nfs/dbraw/zinc/82/93/77/1192829377.db2.gz RFIUOXIMFNAYCR-RTBURBONSA-N 2 0 388.512 0.652 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[C@@H]1[NH3+] ZINC000419168358 1192829620 /nfs/dbraw/zinc/82/96/20/1192829620.db2.gz RSQAKNYAORHXGB-QRQLOZEOSA-N 2 0 388.512 0.589 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168818 1192829857 /nfs/dbraw/zinc/82/98/57/1192829857.db2.gz TUOMQLXVEAAEHJ-BHIYHBOVSA-N 2 0 388.512 0.589 20 0 GCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000419192543 1192831012 /nfs/dbraw/zinc/83/10/12/1192831012.db2.gz PCIBTJFVKHUNGG-IBGZPJMESA-N 2 0 388.512 0.652 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000419194785 1192832564 /nfs/dbraw/zinc/83/25/64/1192832564.db2.gz UEBJMAJARUQCEF-APWZRJJASA-N 2 0 388.512 0.782 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000419196018 1192833030 /nfs/dbraw/zinc/83/30/30/1192833030.db2.gz AGWKSLIEDLBJJT-LPHOPBHVSA-N 2 0 388.512 0.639 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000419196043 1192833166 /nfs/dbraw/zinc/83/31/66/1192833166.db2.gz ALVHXIDANCICLC-WBVHZDCISA-N 2 0 376.501 0.687 20 0 GCADRP CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000419187638 1192836251 /nfs/dbraw/zinc/83/62/51/1192836251.db2.gz JGIWOFYXVQNKQD-IBGZPJMESA-N 2 0 388.512 0.721 20 0 GCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419197697 1192837572 /nfs/dbraw/zinc/83/75/72/1192837572.db2.gz BXRGOWRLCKLPCH-UHFFFAOYSA-N 2 0 375.517 0.164 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H]1C[NH3+] ZINC000419199772 1192841491 /nfs/dbraw/zinc/84/14/91/1192841491.db2.gz CYIKZWVCHWHCNO-DOTOQJQBSA-N 2 0 388.516 0.035 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000419202254 1192843118 /nfs/dbraw/zinc/84/31/18/1192843118.db2.gz GSOCSAKYVNHHEO-JTDSTZFVSA-N 2 0 388.512 0.780 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419203623 1192843552 /nfs/dbraw/zinc/84/35/52/1192843552.db2.gz HTWCVCUKBDEKQR-QGZVFWFLSA-N 2 0 376.501 0.701 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893741579 1192847491 /nfs/dbraw/zinc/84/74/91/1192847491.db2.gz SKBDUMDRINLCST-NMLBUPMWSA-N 2 0 394.560 0.995 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCO1 ZINC000419205441 1192852328 /nfs/dbraw/zinc/85/23/28/1192852328.db2.gz KVDWSIMTSQBWDP-LJQANCHMSA-N 2 0 388.512 0.865 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419204773 1192857643 /nfs/dbraw/zinc/85/76/43/1192857643.db2.gz JDVDLUCXTKVTPF-APWZRJJASA-N 2 0 388.512 0.721 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccn1 ZINC000893914312 1192875929 /nfs/dbraw/zinc/87/59/29/1192875929.db2.gz NJAMWYUPKLVMKR-ROUUACIJSA-N 2 0 391.516 0.763 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419207902 1192880737 /nfs/dbraw/zinc/88/07/37/1192880737.db2.gz QBFWIJQWWCZHCK-UHFFFAOYSA-N 2 0 376.505 0.083 20 0 GCADRP C[C@@H]1CN(c2nc(C(N)=O)cc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000893991575 1192887134 /nfs/dbraw/zinc/88/71/34/1192887134.db2.gz RVBSBYFIAFWRHM-NMWPEEMBSA-N 2 0 375.521 0.633 20 0 GCADRP CCCN(C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000419212539 1192900040 /nfs/dbraw/zinc/90/00/40/1192900040.db2.gz KLRZDFSTBQCRTQ-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419211920 1192900449 /nfs/dbraw/zinc/90/04/49/1192900449.db2.gz YOFBXXZUXBNSEB-WBVHZDCISA-N 2 0 388.516 0.178 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419213491 1192901720 /nfs/dbraw/zinc/90/17/20/1192901720.db2.gz LJPIVFMTFPOEDK-BZUAXINKSA-N 2 0 376.501 0.766 20 0 GCADRP O=C(COCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332798260 1192903043 /nfs/dbraw/zinc/90/30/43/1192903043.db2.gz NEPUUJSKPJFWLG-USTZCAOPSA-N 2 0 378.517 0.489 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000419213172 1192903363 /nfs/dbraw/zinc/90/33/63/1192903363.db2.gz LCIZBRRHLMWDND-NVXWUHKLSA-N 2 0 376.501 0.748 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000419214518 1192904930 /nfs/dbraw/zinc/90/49/30/1192904930.db2.gz MYDQAJNJFUSEPT-UHFFFAOYSA-N 2 0 376.501 0.749 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000419214520 1192904938 /nfs/dbraw/zinc/90/49/38/1192904938.db2.gz MYOZGBLIGKKCPL-QGZVFWFLSA-N 2 0 376.501 0.831 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C1 ZINC000419214111 1192907099 /nfs/dbraw/zinc/90/70/99/1192907099.db2.gz MGQQKPIMLRLYRA-MRXNPFEDSA-N 2 0 376.501 0.314 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000419214072 1192907146 /nfs/dbraw/zinc/90/71/46/1192907146.db2.gz MEWWFBRPXUSVRQ-FUHWJXTLSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419214128 1192907422 /nfs/dbraw/zinc/90/74/22/1192907422.db2.gz MJGUIOWCPNTWFO-NVXWUHKLSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419214130 1192907629 /nfs/dbraw/zinc/90/76/29/1192907629.db2.gz MJGUIOWCPNTWFO-WBVHZDCISA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419217812 1192916806 /nfs/dbraw/zinc/91/68/06/1192916806.db2.gz REWGSTUDZUFDIX-WBVHZDCISA-N 2 0 376.501 0.829 20 0 GCADRP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000410972644 1192921414 /nfs/dbraw/zinc/92/14/14/1192921414.db2.gz HREYDHPJDGJVIO-DLBZAZTESA-N 2 0 380.533 0.356 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419221168 1192923310 /nfs/dbraw/zinc/92/33/10/1192923310.db2.gz VXSOCEOHPVQLJL-KRWDZBQOSA-N 2 0 376.501 0.701 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C[NH3+] ZINC000419221947 1192924319 /nfs/dbraw/zinc/92/43/19/1192924319.db2.gz WKBABAGSGCLHLH-YJBOKZPZSA-N 2 0 376.501 0.829 20 0 GCADRP CNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cn1 ZINC000274501410 1184078282 /nfs/dbraw/zinc/07/82/82/1184078282.db2.gz IIJMNKWMSFRWSH-UHFFFAOYSA-N 2 0 383.518 0.088 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[N@H+](C)CCOC)c2)CC1 ZINC000274523888 1184085994 /nfs/dbraw/zinc/08/59/94/1184085994.db2.gz NWVZKBWIOOXZJT-UHFFFAOYSA-N 2 0 391.516 0.461 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)CC2)CC1 ZINC000579700362 1184095971 /nfs/dbraw/zinc/09/59/71/1184095971.db2.gz NFXQCOIVINYKAA-PKOBYXMFSA-N 2 0 391.560 0.168 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000579716509 1184104556 /nfs/dbraw/zinc/10/45/56/1184104556.db2.gz PFLSVSAKACFIGU-QUCCMNQESA-N 2 0 389.544 0.581 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654727292 1184105715 /nfs/dbraw/zinc/10/57/15/1184105715.db2.gz JKYCODDMABSXNV-MSOLQXFVSA-N 2 0 377.533 0.953 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654727295 1184105785 /nfs/dbraw/zinc/10/57/85/1184105785.db2.gz JKYCODDMABSXNV-ZWKOTPCHSA-N 2 0 377.533 0.953 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654799685 1184145200 /nfs/dbraw/zinc/14/52/00/1184145200.db2.gz UILJOXMSGKZJAU-RTBURBONSA-N 2 0 396.601 0.727 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC(C)([NH3+])CC3)CC2)CC1 ZINC000643544183 1184153067 /nfs/dbraw/zinc/15/30/67/1184153067.db2.gz ZOXVSQSLAWMADI-UHFFFAOYSA-N 2 0 379.549 0.343 20 0 GCADRP C[NH+](C)CCn1ccc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000654871821 1184173612 /nfs/dbraw/zinc/17/36/12/1184173612.db2.gz HFYWXJUDVCOACP-UHFFFAOYSA-N 2 0 392.548 0.801 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000642683248 1184186127 /nfs/dbraw/zinc/18/61/27/1184186127.db2.gz KFLYYMUIFBFJPH-VQIMIIECSA-N 2 0 388.512 0.384 20 0 GCADRP CC[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000642685524 1184196691 /nfs/dbraw/zinc/19/66/91/1184196691.db2.gz FMYFLXXQVIDWKT-WMZOPIPTSA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418559454 1184216485 /nfs/dbraw/zinc/21/64/85/1184216485.db2.gz CLXBQZDGFJGJPG-BZSNNMDCSA-N 2 0 375.517 0.845 20 0 GCADRP c1cn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001167056626 1184218625 /nfs/dbraw/zinc/21/86/25/1184218625.db2.gz OQWQWDVIMFKJEL-MRXNPFEDSA-N 2 0 399.499 0.803 20 0 GCADRP CS(=O)(=O)c1nc2c(c(-n3ccnc3[C@@H]3CCC[NH2+]C3)n1)CC[NH2+]CC2 ZINC001167056998 1184219652 /nfs/dbraw/zinc/21/96/52/1184219652.db2.gz WNQACXNAHUJRMS-GFCCVEGCSA-N 2 0 376.486 0.221 20 0 GCADRP CS(=O)(=O)c1nc2c(c(-n3ccnc3[C@H]3CCC[NH2+]C3)n1)CC[NH2+]CC2 ZINC001167057002 1184220346 /nfs/dbraw/zinc/22/03/46/1184220346.db2.gz WNQACXNAHUJRMS-LBPRGKRZSA-N 2 0 376.486 0.221 20 0 GCADRP CN1CCN(c2cc(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ncn2)CC1=O ZINC000274732012 1184231600 /nfs/dbraw/zinc/23/16/00/1184231600.db2.gz CFKDJXXXSOXZCH-GOSISDBHSA-N 2 0 396.495 0.934 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000579813521 1184241729 /nfs/dbraw/zinc/24/17/29/1184241729.db2.gz XUQFJOJUEFHBKF-GOSISDBHSA-N 2 0 395.592 0.757 20 0 GCADRP COC[C@@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000655017989 1184249129 /nfs/dbraw/zinc/24/91/29/1184249129.db2.gz RXTFVLSGXCJACN-MRXNPFEDSA-N 2 0 382.549 0.698 20 0 GCADRP C[N@H+](CCNC(=O)C1CC[NH+](CCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000471218827 1184462637 /nfs/dbraw/zinc/46/26/37/1184462637.db2.gz DWWVZSPCNJYVOA-UHFFFAOYSA-N 2 0 389.500 0.532 20 0 GCADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471235110 1184491654 /nfs/dbraw/zinc/49/16/54/1184491654.db2.gz NRGIQCHSOGUZIZ-HNNXBMFYSA-N 2 0 389.500 0.530 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000419144121 1184530463 /nfs/dbraw/zinc/53/04/63/1184530463.db2.gz ZRHCFYRQVGVCOC-UHFFFAOYSA-N 2 0 376.501 0.701 20 0 GCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000655557264 1184573433 /nfs/dbraw/zinc/57/34/33/1184573433.db2.gz UATBXRLEXYWPOU-QUCCMNQESA-N 2 0 379.549 0.520 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000610250344 1184575565 /nfs/dbraw/zinc/57/55/65/1184575565.db2.gz UUBDAUUDDAWSMH-PKOBYXMFSA-N 2 0 379.549 0.166 20 0 GCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1(C)C ZINC000275384349 1184646423 /nfs/dbraw/zinc/64/64/23/1184646423.db2.gz AEMSHIXAFASGDT-UZLBHIALSA-N 2 0 375.517 0.982 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C)C1 ZINC000332831870 1184746661 /nfs/dbraw/zinc/74/66/61/1184746661.db2.gz FKHLMKHDGZABPD-RNIPGJKVSA-N 2 0 382.549 0.851 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176261663 1184767827 /nfs/dbraw/zinc/76/78/27/1184767827.db2.gz DEWBOQNVEOWWNG-QZTJIDSGSA-N 2 0 380.533 0.851 20 0 GCADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000543992464 1184793066 /nfs/dbraw/zinc/79/30/66/1184793066.db2.gz NDAUEOZSNDEQNA-QGZVFWFLSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCN1c1cc[nH+]cc1 ZINC000890986173 1184803433 /nfs/dbraw/zinc/80/34/33/1184803433.db2.gz HUSRKIGFHXYDJA-HNNXBMFYSA-N 2 0 385.472 0.516 20 0 GCADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642743925 1184852397 /nfs/dbraw/zinc/85/23/97/1184852397.db2.gz FQDUIBPGGNAMPE-KRWDZBQOSA-N 2 0 387.528 0.653 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000579980257 1184877265 /nfs/dbraw/zinc/87/72/65/1184877265.db2.gz QQJZHQXXRXHUFQ-SJORKVTESA-N 2 0 395.548 0.069 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000642761472 1184926231 /nfs/dbraw/zinc/92/62/31/1184926231.db2.gz KYZOEEAQRVTYQF-JKQORVJESA-N 2 0 394.541 0.822 20 0 GCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1(C)C ZINC000275717666 1184961338 /nfs/dbraw/zinc/96/13/38/1184961338.db2.gz VOGNAKNRTOEHOG-JXFKEZNVSA-N 2 0 375.517 0.982 20 0 GCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1(C)C ZINC000275717668 1184961355 /nfs/dbraw/zinc/96/13/55/1184961355.db2.gz VOGNAKNRTOEHOG-OXQOHEQNSA-N 2 0 375.517 0.982 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656027585 1184962899 /nfs/dbraw/zinc/96/28/99/1184962899.db2.gz DNOAJUHTZFRYGQ-FCGDIQPGSA-N 2 0 392.544 0.864 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000656071162 1185006496 /nfs/dbraw/zinc/00/64/96/1185006496.db2.gz OWMMZXVMVAEEMG-GOSISDBHSA-N 2 0 393.576 0.558 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970792396 1185028044 /nfs/dbraw/zinc/02/80/44/1185028044.db2.gz TZBAINTXWPOIES-AXUOBQJMSA-N 2 0 392.544 0.137 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000275792959 1185058036 /nfs/dbraw/zinc/05/80/36/1185058036.db2.gz CJLZMYMYWYZLGD-OAHLLOKOSA-N 2 0 391.520 0.356 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000683816068 1185073350 /nfs/dbraw/zinc/07/33/50/1185073350.db2.gz IYDKJZNZRXYZFC-QGZVFWFLSA-N 2 0 381.565 0.907 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275801779 1185084195 /nfs/dbraw/zinc/08/41/95/1185084195.db2.gz DBXPONHKZLGJCY-INIZCTEOSA-N 2 0 378.521 0.850 20 0 GCADRP O=C(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000580184557 1185109763 /nfs/dbraw/zinc/10/97/63/1185109763.db2.gz HHDIHEAOYGUJBA-LWYYNNOASA-N 2 0 382.508 0.787 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308085 1185148924 /nfs/dbraw/zinc/14/89/24/1185148924.db2.gz SBPBCZLWUZQZDR-RTBURBONSA-N 2 0 387.528 0.350 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)n2)CC1 ZINC000683863715 1185155222 /nfs/dbraw/zinc/15/52/22/1185155222.db2.gz VLUSOWPEJFRJIV-UHFFFAOYSA-N 2 0 397.483 0.832 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000580324415 1185165486 /nfs/dbraw/zinc/16/54/86/1185165486.db2.gz UONFKQJCGJOFTL-CABCVRRESA-N 2 0 378.439 0.582 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000580354457 1185196438 /nfs/dbraw/zinc/19/64/38/1185196438.db2.gz DXLKCMMDLLLCFZ-ZWKOTPCHSA-N 2 0 380.533 0.690 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000580498889 1185253670 /nfs/dbraw/zinc/25/36/70/1185253670.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 2 0 393.576 0.604 20 0 GCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580561822 1185276039 /nfs/dbraw/zinc/27/60/39/1185276039.db2.gz YVQQDIKYSDBZLH-OALUTQOASA-N 2 0 388.512 0.652 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656284847 1185321776 /nfs/dbraw/zinc/32/17/76/1185321776.db2.gz AHQUAVRGIVHVRA-SQNIBIBYSA-N 2 0 380.533 0.593 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000656287072 1185324844 /nfs/dbraw/zinc/32/48/44/1185324844.db2.gz XYGMQOAKUKBORX-KRWDZBQOSA-N 2 0 382.549 0.792 20 0 GCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580764345 1185348934 /nfs/dbraw/zinc/34/89/34/1185348934.db2.gz ZTPIHECMAHJHFZ-UHFFFAOYSA-N 2 0 388.516 0.761 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656296549 1185356233 /nfs/dbraw/zinc/35/62/33/1185356233.db2.gz LCGWNAKYGFVVQR-QZTJIDSGSA-N 2 0 379.549 0.263 20 0 GCADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000642792961 1185382653 /nfs/dbraw/zinc/38/26/53/1185382653.db2.gz QWRUDSVOZFKBPF-QGZVFWFLSA-N 2 0 375.517 0.164 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656312118 1185389247 /nfs/dbraw/zinc/38/92/47/1185389247.db2.gz SKQAUXPDZAYVBA-ZWKOTPCHSA-N 2 0 392.544 0.881 20 0 GCADRP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000580894487 1185407973 /nfs/dbraw/zinc/40/79/73/1185407973.db2.gz DFIFEFMHKADNRT-FQEVSTJZSA-N 2 0 389.519 0.844 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CCCO1 ZINC000656326135 1185418941 /nfs/dbraw/zinc/41/89/41/1185418941.db2.gz IQZXCUVCNHDUOV-KZNAEPCWSA-N 2 0 380.533 0.737 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656326730 1185422564 /nfs/dbraw/zinc/42/25/64/1185422564.db2.gz CLLAKDVOTIURTF-MANSERQUSA-N 2 0 392.544 0.614 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000656355630 1185456072 /nfs/dbraw/zinc/45/60/72/1185456072.db2.gz MDTJAJNWTLATDG-RCCFBDPRSA-N 2 0 378.517 0.300 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356455 1185457619 /nfs/dbraw/zinc/45/76/19/1185457619.db2.gz DMTIKFPNOMEVQD-BHIYHBOVSA-N 2 0 392.544 0.831 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000471637544 1185471939 /nfs/dbraw/zinc/47/19/39/1185471939.db2.gz XGHIPFOCDWQDGA-RBUKOAKNSA-N 2 0 378.517 0.747 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000581031506 1185472569 /nfs/dbraw/zinc/47/25/69/1185472569.db2.gz FXOSZRBZNOYMIY-UHFFFAOYSA-N 3 0 395.592 0.852 20 0 GCADRP [NH3+]C1(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000581130625 1185508779 /nfs/dbraw/zinc/50/87/79/1185508779.db2.gz QDOJTXALEHQLBI-UHFFFAOYSA-N 3 0 397.527 0.926 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C2)CC1 ZINC000581151289 1185518398 /nfs/dbraw/zinc/51/83/98/1185518398.db2.gz KGYDOWXLYWXLJB-IBGZPJMESA-N 2 0 395.592 0.850 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1c(F)cc(O)cc1F ZINC000933106716 1185540064 /nfs/dbraw/zinc/54/00/64/1185540064.db2.gz JSQGEWCUUQYLNL-UHFFFAOYSA-N 2 0 386.443 0.281 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581299807 1185574170 /nfs/dbraw/zinc/57/41/70/1185574170.db2.gz HXCFXTHZPYTMSU-IAGOWNOFSA-N 2 0 377.533 0.857 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCOCC[NH+](C)C ZINC000471643328 1185577211 /nfs/dbraw/zinc/57/72/11/1185577211.db2.gz HJOPRJUYTYGCIE-FQEVSTJZSA-N 2 0 378.517 0.843 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581313513 1185586317 /nfs/dbraw/zinc/58/63/17/1185586317.db2.gz IRMHWWRZWMJFCU-UAGQMJEPSA-N 2 0 398.515 0.071 20 0 GCADRP CCn1c(C)nnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346721 1185618280 /nfs/dbraw/zinc/61/82/80/1185618280.db2.gz IAOYXHCRIBMGJX-JOCBIADPSA-N 2 0 392.548 0.900 20 0 GCADRP CCn1nnc(C)c1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104347353 1185621465 /nfs/dbraw/zinc/62/14/65/1185621465.db2.gz WELXNFMBNBXQJK-FXRXJOCMSA-N 2 0 392.548 0.900 20 0 GCADRP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104347239 1185621757 /nfs/dbraw/zinc/62/17/57/1185621757.db2.gz TZXBLWYSAYZQRT-BRSBDYLESA-N 2 0 382.549 0.552 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000471648979 1185647596 /nfs/dbraw/zinc/64/75/96/1185647596.db2.gz WXRITBBXQBWAAV-RBUKOAKNSA-N 2 0 378.517 0.747 20 0 GCADRP C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000430593956 1185658018 /nfs/dbraw/zinc/65/80/18/1185658018.db2.gz QCNPYUOXVUQSLT-UHFFFAOYSA-N 2 0 383.514 0.770 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCN1CCc2ccccc21 ZINC000430597457 1185675051 /nfs/dbraw/zinc/67/50/51/1185675051.db2.gz AIHHLIAVIQHYFB-IBGZPJMESA-N 2 0 399.539 0.309 20 0 GCADRP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606008 1185700281 /nfs/dbraw/zinc/70/02/81/1185700281.db2.gz VEVDTSRTINSEKG-ZBFHGGJFSA-N 2 0 394.491 0.968 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000581474566 1185711156 /nfs/dbraw/zinc/71/11/56/1185711156.db2.gz IVXZKGCWXMIGEC-QZTJIDSGSA-N 2 0 381.565 0.414 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000430611000 1185752617 /nfs/dbraw/zinc/75/26/17/1185752617.db2.gz NBNOWRJVQSLTPA-SJLPKXTDSA-N 2 0 386.496 0.770 20 0 GCADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614943 1185770082 /nfs/dbraw/zinc/77/00/82/1185770082.db2.gz ANXDAKAQJYOEPZ-QRVBRYPASA-N 2 0 394.560 0.842 20 0 GCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000625603982 1185795629 /nfs/dbraw/zinc/79/56/29/1185795629.db2.gz BORWXGUPTNXVFA-QZTJIDSGSA-N 2 0 392.544 0.642 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000430621794 1185797519 /nfs/dbraw/zinc/79/75/19/1185797519.db2.gz KEMQXTVIWPNIOB-LSDHHAIUSA-N 2 0 390.450 0.931 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000642808242 1185805107 /nfs/dbraw/zinc/80/51/07/1185805107.db2.gz UMBWRRQUPLYVEK-IPELMVKDSA-N 2 0 388.512 0.588 20 0 GCADRP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430624096 1185808460 /nfs/dbraw/zinc/80/84/60/1185808460.db2.gz IBOULLZTEPFBLR-IBGZPJMESA-N 2 0 388.512 0.593 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1ccc(F)cc1 ZINC000430632679 1185821898 /nfs/dbraw/zinc/82/18/98/1185821898.db2.gz ZAPYDTANZAFCHY-MRXNPFEDSA-N 2 0 392.475 0.465 20 0 GCADRP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCC(C)CC1 ZINC000891446097 1185826153 /nfs/dbraw/zinc/82/61/53/1185826153.db2.gz LXEKPQGAHYFLBH-NXOAAHMSSA-N 2 0 379.505 0.683 20 0 GCADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430638723 1185841958 /nfs/dbraw/zinc/84/19/58/1185841958.db2.gz DCXCGQNMFRTSLW-GOSISDBHSA-N 2 0 388.512 0.797 20 0 GCADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430641929 1185846813 /nfs/dbraw/zinc/84/68/13/1185846813.db2.gz JPEIGVUMEWJMCM-UONOGXRCSA-N 2 0 376.457 0.572 20 0 GCADRP CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642786 1185850174 /nfs/dbraw/zinc/85/01/74/1185850174.db2.gz KWTUIIKVIHPRRX-CQSZACIVSA-N 2 0 387.484 0.537 20 0 GCADRP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430642393 1185855063 /nfs/dbraw/zinc/85/50/63/1185855063.db2.gz KECOPALFPDDIKA-FUHWJXTLSA-N 2 0 386.496 0.944 20 0 GCADRP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430645739 1185859799 /nfs/dbraw/zinc/85/97/99/1185859799.db2.gz OFSZONJYAYVFSO-GOSISDBHSA-N 2 0 388.512 0.593 20 0 GCADRP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430650120 1185866844 /nfs/dbraw/zinc/86/68/44/1185866844.db2.gz JZZZECRIJCRUKA-RDJZCZTQSA-N 2 0 376.476 0.974 20 0 GCADRP CCN(C)C(=O)[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276533292 1185871801 /nfs/dbraw/zinc/87/18/01/1185871801.db2.gz JIMPKAGKLXVROI-INIZCTEOSA-N 2 0 376.505 0.760 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891482577 1185886695 /nfs/dbraw/zinc/88/66/95/1185886695.db2.gz KBZJSVDUTDSXKH-RTBURBONSA-N 2 0 387.528 0.943 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430658400 1185900045 /nfs/dbraw/zinc/90/00/45/1185900045.db2.gz XKJASKGXNHGVAJ-ZWKOTPCHSA-N 2 0 387.528 0.416 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891511628 1185900910 /nfs/dbraw/zinc/90/09/10/1185900910.db2.gz DIALTVPENHHBPU-QZTJIDSGSA-N 2 0 387.532 0.915 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891511631 1185900942 /nfs/dbraw/zinc/90/09/42/1185900942.db2.gz DIALTVPENHHBPU-ZWKOTPCHSA-N 2 0 387.532 0.915 20 0 GCADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430660673 1185903097 /nfs/dbraw/zinc/90/30/97/1185903097.db2.gz DPGPOBCESFXXPF-SFHVURJKSA-N 2 0 388.512 0.797 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C2)CC1 ZINC000891558983 1185918627 /nfs/dbraw/zinc/91/86/27/1185918627.db2.gz CKJRYCSOHYJYTF-YDHLFZDLSA-N 2 0 377.455 0.934 20 0 GCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559236 1185919178 /nfs/dbraw/zinc/91/91/78/1185919178.db2.gz CXWBDIMSGDWGQV-AEFFLSMTSA-N 2 0 379.549 0.613 20 0 GCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563300 1185921928 /nfs/dbraw/zinc/92/19/28/1185921928.db2.gz CQYOPBZNJAIPAZ-XLIONFOSSA-N 2 0 381.565 0.799 20 0 GCADRP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430666363 1185931910 /nfs/dbraw/zinc/93/19/10/1185931910.db2.gz NUURKNFOAJZRAO-ZDUSSCGKSA-N 2 0 377.445 0.130 20 0 GCADRP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430668346 1185943452 /nfs/dbraw/zinc/94/34/52/1185943452.db2.gz RCSIHLHRBNBKCH-JKSUJKDBSA-N 2 0 399.495 0.504 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000419664912 1185953561 /nfs/dbraw/zinc/95/35/61/1185953561.db2.gz SOKIOMPOOORELD-DLBZAZTESA-N 2 0 376.501 0.672 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000581897809 1185958220 /nfs/dbraw/zinc/95/82/20/1185958220.db2.gz SQCXMVDTZFJBJI-SFHVURJKSA-N 2 0 379.549 0.214 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000419890831 1185977244 /nfs/dbraw/zinc/97/72/44/1185977244.db2.gz IGDAQXHIOAYWEJ-QZTJIDSGSA-N 2 0 380.533 0.724 20 0 GCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000891693820 1185980124 /nfs/dbraw/zinc/98/01/24/1185980124.db2.gz GTFPRIRMYFUBOP-RCCFBDPRSA-N 2 0 380.533 0.822 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581937799 1185998101 /nfs/dbraw/zinc/99/81/01/1185998101.db2.gz RHHQSACJKWVKSC-APAFKAMOSA-N 2 0 391.560 0.199 20 0 GCADRP CC[NH+]1C[C@@H](C)N(C(=O)COCC(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000581967561 1186012793 /nfs/dbraw/zinc/01/27/93/1186012793.db2.gz XGHISZHKPBKCJQ-BALXVJCKSA-N 2 0 382.549 0.885 20 0 GCADRP C[C@H](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCCCC1 ZINC000891776117 1186025755 /nfs/dbraw/zinc/02/57/55/1186025755.db2.gz GXMADTCEVSHDND-VQHPVUNQSA-N 2 0 379.505 0.827 20 0 GCADRP C[NH+](C)C1CCN(c2cc(C(N)=O)nc(N3CCC([NH+](C)C)CC3)n2)CC1 ZINC000891779151 1186026497 /nfs/dbraw/zinc/02/64/97/1186026497.db2.gz FTHBUOCJKXWMDZ-UHFFFAOYSA-N 2 0 375.521 0.636 20 0 GCADRP C[N@H+](CCOc1cccc(CNC(=O)COC2C[NH2+]C2)c1)C1CCOCC1 ZINC000430899678 1186050254 /nfs/dbraw/zinc/05/02/54/1186050254.db2.gz JRPVBNRGJRIVKD-UHFFFAOYSA-N 2 0 377.485 0.781 20 0 GCADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430956835 1186067850 /nfs/dbraw/zinc/06/78/50/1186067850.db2.gz MJDAYHNYNPFDFF-ZIAGYGMSSA-N 2 0 382.530 0.831 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865449 1186107159 /nfs/dbraw/zinc/10/71/59/1186107159.db2.gz PGTRIXDWIGWRNF-WCVJEAGWSA-N 2 0 379.505 0.683 20 0 GCADRP COc1ccc(OC)c(CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262004939 1186270064 /nfs/dbraw/zinc/27/00/64/1186270064.db2.gz DWCCXURIYFOUKX-UHFFFAOYSA-N 2 0 376.501 0.643 20 0 GCADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891972911 1186270983 /nfs/dbraw/zinc/27/09/83/1186270983.db2.gz MRPAIAIGOXSUOJ-LJQANCHMSA-N 2 0 375.517 0.400 20 0 GCADRP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000892007921 1186305705 /nfs/dbraw/zinc/30/57/05/1186305705.db2.gz COEVSJYGEVUDMF-OALUTQOASA-N 2 0 381.565 0.990 20 0 GCADRP [NH3+][C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000892030311 1186312162 /nfs/dbraw/zinc/31/21/62/1186312162.db2.gz GORXAFPNQNXLOV-MOPGFXCFSA-N 2 0 375.517 0.782 20 0 GCADRP COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563153031 1186313648 /nfs/dbraw/zinc/31/36/48/1186313648.db2.gz MDUMVDRPONDTJU-INIZCTEOSA-N 2 0 375.469 0.996 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892107443 1186344892 /nfs/dbraw/zinc/34/48/92/1186344892.db2.gz JWVGOQGYYAFEDS-CVEARBPZSA-N 2 0 385.434 0.836 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892107445 1186345293 /nfs/dbraw/zinc/34/52/93/1186345293.db2.gz JWVGOQGYYAFEDS-HZPDHXFCSA-N 2 0 385.434 0.836 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000157198383 1186351456 /nfs/dbraw/zinc/35/14/56/1186351456.db2.gz STFSEOVUNUZPPS-KRWDZBQOSA-N 2 0 376.501 0.693 20 0 GCADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000892156988 1186380055 /nfs/dbraw/zinc/38/00/55/1186380055.db2.gz UGXPMUFRRVYQIE-GJZGRUSLSA-N 2 0 375.464 0.079 20 0 GCADRP C[C@H]1CSCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000934303340 1186425297 /nfs/dbraw/zinc/42/52/97/1186425297.db2.gz SSJMXBKSMIAAMP-AWEZNQCLSA-N 2 0 389.529 0.839 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000582171731 1186450472 /nfs/dbraw/zinc/45/04/72/1186450472.db2.gz PMOOOSDRVBKQGG-UHFFFAOYSA-N 2 0 376.501 0.749 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000582256239 1186476648 /nfs/dbraw/zinc/47/66/48/1186476648.db2.gz KCKFZCPLHZQPTQ-OALUTQOASA-N 2 0 395.592 0.613 20 0 GCADRP O=C(CC[NH+]1CCC(C(=O)NCCc2cccs2)CC1)N1CC[NH2+]CC1 ZINC000262078032 1186492908 /nfs/dbraw/zinc/49/29/08/1186492908.db2.gz KLRDOPPWCYGIIK-UHFFFAOYSA-N 2 0 378.542 0.941 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582357907 1186502659 /nfs/dbraw/zinc/50/26/59/1186502659.db2.gz VDMLBQDXKDWERE-KRWDZBQOSA-N 3 0 398.515 0.367 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582360842 1186503361 /nfs/dbraw/zinc/50/33/61/1186503361.db2.gz UGINYCKWRGDATH-SJORKVTESA-N 2 0 394.541 0.314 20 0 GCADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000582441096 1186532365 /nfs/dbraw/zinc/53/23/65/1186532365.db2.gz NYIGZUOADUBZJT-INIZCTEOSA-N 2 0 391.516 0.418 20 0 GCADRP CCOC1CC(O)(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000277644868 1186552396 /nfs/dbraw/zinc/55/23/96/1186552396.db2.gz DEWNQMRHMLWLSU-UHFFFAOYSA-N 2 0 391.516 0.823 20 0 GCADRP COC(=O)CC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277682680 1186563259 /nfs/dbraw/zinc/56/32/59/1186563259.db2.gz GPQKZYVCRXAICD-MRXNPFEDSA-N 2 0 389.456 0.467 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000888980446 1186567648 /nfs/dbraw/zinc/56/76/48/1186567648.db2.gz BZLHPUHJDWFVNM-VQTJNVASSA-N 2 0 390.576 0.940 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000125412656 1186587423 /nfs/dbraw/zinc/58/74/23/1186587423.db2.gz UHLFFOSXRIOLCV-IYBDPMFKSA-N 2 0 378.521 0.867 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563421660 1186591035 /nfs/dbraw/zinc/59/10/35/1186591035.db2.gz OXTORGXJFVFRCS-QGZVFWFLSA-N 2 0 390.484 0.676 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000582670425 1186605017 /nfs/dbraw/zinc/60/50/17/1186605017.db2.gz YBQGOQGOQIANEH-XLIONFOSSA-N 2 0 389.519 0.842 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000582680704 1186608006 /nfs/dbraw/zinc/60/80/06/1186608006.db2.gz LRECSKAJIOBUDS-QZTJIDSGSA-N 2 0 379.549 0.073 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000582687911 1186608991 /nfs/dbraw/zinc/60/89/91/1186608991.db2.gz NALXAFDKJIUSSG-ZWKOTPCHSA-N 2 0 382.549 0.671 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000582687910 1186609273 /nfs/dbraw/zinc/60/92/73/1186609273.db2.gz NALXAFDKJIUSSG-ROUUACIJSA-N 2 0 382.549 0.671 20 0 GCADRP C[C@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000074656111 1186626093 /nfs/dbraw/zinc/62/60/93/1186626093.db2.gz XGPXVQPVCNSTEV-MOPGFXCFSA-N 2 0 380.581 0.291 20 0 GCADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC12CCOCC2 ZINC000582730956 1186631201 /nfs/dbraw/zinc/63/12/01/1186631201.db2.gz PHILFFAMAZMSCH-KRWDZBQOSA-N 2 0 388.516 0.203 20 0 GCADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466912156 1186737050 /nfs/dbraw/zinc/73/70/50/1186737050.db2.gz FERKLNDCURFJNL-DLBZAZTESA-N 2 0 380.533 0.676 20 0 GCADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000583012390 1186747720 /nfs/dbraw/zinc/74/77/20/1186747720.db2.gz SNIKYQDWMQBZCF-QGZVFWFLSA-N 2 0 382.468 0.665 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000583031336 1186753540 /nfs/dbraw/zinc/75/35/40/1186753540.db2.gz DBZQWSLNQKGTKN-UHFFFAOYSA-N 2 0 382.549 0.794 20 0 GCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000583036009 1186754180 /nfs/dbraw/zinc/75/41/80/1186754180.db2.gz VEKWWQUKFFICGK-RTBURBONSA-N 2 0 385.512 0.359 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000685080858 1186773178 /nfs/dbraw/zinc/77/31/78/1186773178.db2.gz RLWSEHCGPRTYKK-IBGZPJMESA-N 2 0 395.592 0.567 20 0 GCADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583142705 1186779926 /nfs/dbraw/zinc/77/99/26/1186779926.db2.gz IYACVLRGIULPJC-WMZOPIPTSA-N 2 0 378.517 0.300 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000583194944 1186793694 /nfs/dbraw/zinc/79/36/94/1186793694.db2.gz YCIIETUKAJKGLT-GOSISDBHSA-N 2 0 393.576 0.463 20 0 GCADRP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)ccc1=O ZINC000124602754 1186798858 /nfs/dbraw/zinc/79/88/58/1186798858.db2.gz FIMLPGUFSIVMMI-QGZVFWFLSA-N 2 0 391.516 0.681 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000583222009 1186799934 /nfs/dbraw/zinc/79/99/34/1186799934.db2.gz SVDRJRZPRTZZAR-FJIDUMEYSA-N 2 0 382.549 0.839 20 0 GCADRP CCc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)n(C)n1 ZINC000124658144 1186800119 /nfs/dbraw/zinc/80/01/19/1186800119.db2.gz ADMWFJOZXGECRJ-INIZCTEOSA-N 2 0 378.521 0.796 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H](C)C1 ZINC000583222011 1186800149 /nfs/dbraw/zinc/80/01/49/1186800149.db2.gz SVDRJRZPRTZZAR-TVFCKZIOSA-N 2 0 382.549 0.839 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458450442 1186807722 /nfs/dbraw/zinc/80/77/22/1186807722.db2.gz ZNFIWVLBISTZIS-KRWDZBQOSA-N 2 0 396.580 0.289 20 0 GCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C[NH3+])C2)CC1 ZINC000583257554 1186809383 /nfs/dbraw/zinc/80/93/83/1186809383.db2.gz YHLQVFDOTSWTEC-ROUUACIJSA-N 2 0 379.549 0.058 20 0 GCADRP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000155190360 1186809971 /nfs/dbraw/zinc/80/99/71/1186809971.db2.gz WCDWKKXKBHNZEY-DLBZAZTESA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000583276516 1186815038 /nfs/dbraw/zinc/81/50/38/1186815038.db2.gz DULQAJMHEXOWFW-KZNAEPCWSA-N 2 0 382.549 0.839 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000583285809 1186817754 /nfs/dbraw/zinc/81/77/54/1186817754.db2.gz QBVYSNMPCNCYHH-GUDVDZBRSA-N 2 0 392.544 0.567 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000156020311 1186838831 /nfs/dbraw/zinc/83/88/31/1186838831.db2.gz WJKSGXVUHYSBJY-WBVHZDCISA-N 2 0 388.516 0.859 20 0 GCADRP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262287877 1186845991 /nfs/dbraw/zinc/84/59/91/1186845991.db2.gz ZUZAPBCFAXYYQZ-MRXNPFEDSA-N 2 0 391.491 0.592 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000583511591 1186875604 /nfs/dbraw/zinc/87/56/04/1186875604.db2.gz OGTIQMWOWVQFHP-MOPGFXCFSA-N 2 0 388.512 0.257 20 0 GCADRP C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000536057149 1186876753 /nfs/dbraw/zinc/87/67/53/1186876753.db2.gz IVXFXDJSEOQJFN-HOTGVXAUSA-N 2 0 395.548 0.685 20 0 GCADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245387276 1186877332 /nfs/dbraw/zinc/87/73/32/1186877332.db2.gz VYHKJTWAXXTGBE-IXDOHACOSA-N 2 0 394.560 0.920 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000583569410 1186888126 /nfs/dbraw/zinc/88/81/26/1186888126.db2.gz ZGSDVXYNFNPNCA-QRQLOZEOSA-N 2 0 394.560 0.861 20 0 GCADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000278328272 1186890501 /nfs/dbraw/zinc/89/05/01/1186890501.db2.gz VYKAXUOLQONXHH-ZWKOTPCHSA-N 2 0 375.517 0.806 20 0 GCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000246231891 1186914314 /nfs/dbraw/zinc/91/43/14/1186914314.db2.gz UCUFGJCIKLUSQS-ABSDTBQOSA-N 2 0 394.560 0.935 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000583670046 1186915597 /nfs/dbraw/zinc/91/55/97/1186915597.db2.gz HXVNVDAGWSGDDB-SJORKVTESA-N 2 0 388.516 1.174 20 0 GCADRP CCNS(=O)(=O)c1cccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000583678799 1186917031 /nfs/dbraw/zinc/91/70/31/1186917031.db2.gz LBNNBOUNDNQMSY-UHFFFAOYSA-N 2 0 399.561 0.620 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000670709251 1186923120 /nfs/dbraw/zinc/92/31/20/1186923120.db2.gz JLMSLLKDCNHTMI-SFHVURJKSA-N 3 0 393.576 0.509 20 0 GCADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C[C@H](C)[N@H+]1CCO ZINC000458662796 1186930506 /nfs/dbraw/zinc/93/05/06/1186930506.db2.gz URFQBTPGGFJGBM-FUHIMQAGSA-N 2 0 390.528 0.850 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000583798232 1186941516 /nfs/dbraw/zinc/94/15/16/1186941516.db2.gz MQDQQAHINGBDAT-FQEVSTJZSA-N 2 0 398.548 0.519 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccsc1 ZINC000583802547 1186942632 /nfs/dbraw/zinc/94/26/32/1186942632.db2.gz DDBHJHZBFVHGSF-HZPDHXFCSA-N 2 0 381.546 0.349 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583812279 1186943174 /nfs/dbraw/zinc/94/31/74/1186943174.db2.gz ARSGMEONPAJBKJ-BQFCYCMXSA-N 2 0 375.517 0.333 20 0 GCADRP COC(=O)Cn1cc(CC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000158104098 1186959957 /nfs/dbraw/zinc/95/99/57/1186959957.db2.gz MDOIEEHDPNJKMK-HOTGVXAUSA-N 2 0 379.505 0.815 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)C2)CC1 ZINC000584008560 1186978402 /nfs/dbraw/zinc/97/84/02/1186978402.db2.gz WYCZSJZDRXDRPJ-OALUTQOASA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458768228 1186982423 /nfs/dbraw/zinc/98/24/23/1186982423.db2.gz DXBVIAOWOWSCHH-KRWDZBQOSA-N 2 0 379.505 0.668 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000127201290 1186984840 /nfs/dbraw/zinc/98/48/40/1186984840.db2.gz UYYRYTROHLPCRF-KRWDZBQOSA-N 2 0 376.505 0.860 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000584080725 1186995749 /nfs/dbraw/zinc/99/57/49/1186995749.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 2 0 379.549 0.237 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276386 1187017463 /nfs/dbraw/zinc/01/74/63/1187017463.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 2 0 391.560 0.355 20 0 GCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000584341526 1187036678 /nfs/dbraw/zinc/03/66/78/1187036678.db2.gz VEFZNEXQKFTDIS-UHFFFAOYSA-N 3 0 389.544 0.506 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611840125 1187047152 /nfs/dbraw/zinc/04/71/52/1187047152.db2.gz ZTARILXRHDSGAT-IAGOWNOFSA-N 2 0 380.533 0.593 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC001023694410 1187071486 /nfs/dbraw/zinc/07/14/86/1187071486.db2.gz XACYQSBQZYFDDB-BSDSXHPESA-N 2 0 380.533 0.137 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000128541512 1187074880 /nfs/dbraw/zinc/07/48/80/1187074880.db2.gz UFPHOXJYBPSSMY-UHFFFAOYSA-N 2 0 376.505 0.860 20 0 GCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870695 1187078730 /nfs/dbraw/zinc/07/87/30/1187078730.db2.gz RJSGSRMBBAEOGT-SFHVURJKSA-N 2 0 385.512 0.921 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443947 1187129165 /nfs/dbraw/zinc/12/91/65/1187129165.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 2 0 391.560 0.380 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)CC2)C1 ZINC000685501349 1187136796 /nfs/dbraw/zinc/13/67/96/1187136796.db2.gz XNSYVYYKVZIXDI-RBUKOAKNSA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000685519783 1187141718 /nfs/dbraw/zinc/14/17/18/1187141718.db2.gz SGLQXCHJEYDREJ-GOSISDBHSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000685519755 1187141770 /nfs/dbraw/zinc/14/17/70/1187141770.db2.gz PEEGNWNRJBCNPG-IYBDPMFKSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001023967503 1187199636 /nfs/dbraw/zinc/19/96/36/1187199636.db2.gz CIKHCNPUSCEWJJ-UTRMSSBJSA-N 2 0 388.512 0.390 20 0 GCADRP [NH3+][C@@H](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000892414971 1187218716 /nfs/dbraw/zinc/21/87/16/1187218716.db2.gz WXGPNRFYHKLUJF-SFHVURJKSA-N 2 0 388.516 0.299 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000685683309 1187220021 /nfs/dbraw/zinc/22/00/21/1187220021.db2.gz HBRYWQVMKVVCMN-KRWDZBQOSA-N 2 0 396.557 0.839 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)CC[N@@H+]1C ZINC001024128527 1187258389 /nfs/dbraw/zinc/25/83/89/1187258389.db2.gz TWFQFGHKJQHFRV-UTRMSSBJSA-N 2 0 388.512 0.390 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[NH+](C)C ZINC000658422770 1187293753 /nfs/dbraw/zinc/29/37/53/1187293753.db2.gz GLPZBPATZRWRSY-AWEZNQCLSA-N 2 0 377.489 0.972 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000612226618 1187415184 /nfs/dbraw/zinc/41/51/84/1187415184.db2.gz PKZXMHGPDWINAI-LJQANCHMSA-N 2 0 387.528 0.962 20 0 GCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000569795854 1187452599 /nfs/dbraw/zinc/45/25/99/1187452599.db2.gz XMNMZCDSZVVKFZ-SFHVURJKSA-N 2 0 375.517 0.246 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000658776621 1187455946 /nfs/dbraw/zinc/45/59/46/1187455946.db2.gz BYCKNRFZCSHDCP-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000658780905 1187460980 /nfs/dbraw/zinc/46/09/80/1187460980.db2.gz GUNJWINYDGGNFZ-IBGZPJMESA-N 2 0 393.576 0.558 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000612444058 1187491734 /nfs/dbraw/zinc/49/17/34/1187491734.db2.gz JUYJWWJUAOCTKI-KRWDZBQOSA-N 2 0 394.560 0.815 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612446808 1187493812 /nfs/dbraw/zinc/49/38/12/1187493812.db2.gz XLNFHDQJTLGPAP-GOSISDBHSA-N 2 0 393.576 0.606 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000612481047 1187503980 /nfs/dbraw/zinc/50/39/80/1187503980.db2.gz OMWBQTIYFNMUMP-RBUKOAKNSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000612484980 1187505352 /nfs/dbraw/zinc/50/53/52/1187505352.db2.gz JULIZUAPLNIAAF-RTBURBONSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000612484359 1187505709 /nfs/dbraw/zinc/50/57/09/1187505709.db2.gz GMGLFSYQFLZDAW-KRWDZBQOSA-N 2 0 382.549 0.528 20 0 GCADRP O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000570068064 1187513202 /nfs/dbraw/zinc/51/32/02/1187513202.db2.gz BPSYTMFLEVRGLW-IBGZPJMESA-N 2 0 388.512 0.510 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548657 1187520721 /nfs/dbraw/zinc/52/07/21/1187520721.db2.gz PLBHYDAWUCYMMH-OTWHNJEPSA-N 2 0 393.576 0.604 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000612545538 1187521664 /nfs/dbraw/zinc/52/16/64/1187521664.db2.gz LAYAQPGYBGRCJP-LJQANCHMSA-N 2 0 394.560 0.938 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612547121 1187522703 /nfs/dbraw/zinc/52/27/03/1187522703.db2.gz ZVAAHORTGYOYPX-SFHVURJKSA-N 2 0 393.576 0.463 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612593935 1187535030 /nfs/dbraw/zinc/53/50/30/1187535030.db2.gz HMOKDCLCFVUHOB-SFHVURJKSA-N 2 0 380.533 0.690 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595264 1187535456 /nfs/dbraw/zinc/53/54/56/1187535456.db2.gz FRBMXDXDXPOAIF-ZWKOTPCHSA-N 2 0 380.533 0.689 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000612595931 1187536540 /nfs/dbraw/zinc/53/65/40/1187536540.db2.gz LKVLNDFBYUSHNW-FUHWJXTLSA-N 2 0 378.517 0.300 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612596723 1187537452 /nfs/dbraw/zinc/53/74/52/1187537452.db2.gz SJKGQPKZACHCGX-SJLPKXTDSA-N 2 0 380.533 0.546 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000612599849 1187539243 /nfs/dbraw/zinc/53/92/43/1187539243.db2.gz CACXYKOWBMAIDN-GOSISDBHSA-N 2 0 378.517 0.443 20 0 GCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570162204 1187540248 /nfs/dbraw/zinc/54/02/48/1187540248.db2.gz BKDDEGVZZFNEDZ-SJORKVTESA-N 2 0 394.516 0.074 20 0 GCADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870432 1187608785 /nfs/dbraw/zinc/60/87/85/1187608785.db2.gz CVFRSHPEKGDKMN-JKSUJKDBSA-N 2 0 375.521 0.803 20 0 GCADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870431 1187608842 /nfs/dbraw/zinc/60/88/42/1187608842.db2.gz CVFRSHPEKGDKMN-HZPDHXFCSA-N 2 0 375.521 0.803 20 0 GCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876645 1187609981 /nfs/dbraw/zinc/60/99/81/1187609981.db2.gz MNEPPKKHGWZNLO-HOTGVXAUSA-N 2 0 375.521 0.803 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880790 1187611078 /nfs/dbraw/zinc/61/10/78/1187611078.db2.gz JYQBCUQAULKCFT-CVEARBPZSA-N 2 0 387.532 0.945 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@@H+]1C ZINC001024795871 1187624852 /nfs/dbraw/zinc/62/48/52/1187624852.db2.gz CERSJCKKOSCPCX-AAJLLMFJSA-N 2 0 389.500 0.179 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612974534 1187628781 /nfs/dbraw/zinc/62/87/81/1187628781.db2.gz HXMLWFSTSDMJJH-ZWKOTPCHSA-N 2 0 387.528 0.717 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)CC2)CC1 ZINC000892522096 1187664764 /nfs/dbraw/zinc/66/47/64/1187664764.db2.gz PNVZGBISFJRLFV-WOJBJXKFSA-N 2 0 393.576 0.786 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)CC2)CC1 ZINC000892522095 1187664846 /nfs/dbraw/zinc/66/48/46/1187664846.db2.gz PNVZGBISFJRLFV-VQTJNVASSA-N 2 0 393.576 0.786 20 0 GCADRP C[NH+](C)C1(C)CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892533337 1187699343 /nfs/dbraw/zinc/69/93/43/1187699343.db2.gz SYTHXRDWSGAHOD-CEBGKUIJSA-N 2 0 379.505 0.826 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000173919245 1187742748 /nfs/dbraw/zinc/74/27/48/1187742748.db2.gz AIKPZQXGGJJZCV-GOSISDBHSA-N 2 0 386.500 0.985 20 0 GCADRP CCN(CCC(=O)NC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000892544579 1187747319 /nfs/dbraw/zinc/74/73/19/1187747319.db2.gz NGGXWKIARZDVLA-UHFFFAOYSA-N 2 0 376.505 0.761 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178179056 1187760173 /nfs/dbraw/zinc/76/01/73/1187760173.db2.gz XYWKTDLBXASQRC-CVEARBPZSA-N 2 0 376.505 0.637 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH+](C)[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658987243 1187831087 /nfs/dbraw/zinc/83/10/87/1187831087.db2.gz NJCUIVHCXPCYFE-OGWHTMIXSA-N 2 0 392.544 0.497 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC1 ZINC000659027314 1187846102 /nfs/dbraw/zinc/84/61/02/1187846102.db2.gz QFRHNDUYITWKGD-GOSISDBHSA-N 2 0 379.549 0.168 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659073676 1187864093 /nfs/dbraw/zinc/86/40/93/1187864093.db2.gz GFUHOIPUYGQDIH-SFHVURJKSA-N 2 0 389.500 0.299 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc2)CC1 ZINC000659096955 1187877595 /nfs/dbraw/zinc/87/75/95/1187877595.db2.gz MDVLAXKYHKESEB-UHFFFAOYSA-N 2 0 375.517 0.958 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000105316735 1187879247 /nfs/dbraw/zinc/87/92/47/1187879247.db2.gz QVNYAOYRDDTKNK-FCGDIQPGSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000659110746 1187885871 /nfs/dbraw/zinc/88/58/71/1187885871.db2.gz RYJZPNFQWXPMCB-UHFFFAOYSA-N 2 0 386.456 0.738 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000659110878 1187886389 /nfs/dbraw/zinc/88/63/89/1187886389.db2.gz DKXNCNBQPDFWLY-PBHICJAKSA-N 2 0 389.500 0.515 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659112750 1187889585 /nfs/dbraw/zinc/88/95/85/1187889585.db2.gz KYJRQMSMDFVNRE-DOTOQJQBSA-N 2 0 384.484 0.993 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568451 1187896309 /nfs/dbraw/zinc/89/63/09/1187896309.db2.gz MPWMBJQWNNVWDF-IBGZPJMESA-N 2 0 394.560 0.890 20 0 GCADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000647600972 1187908029 /nfs/dbraw/zinc/90/80/29/1187908029.db2.gz QRSMYAYDPKZDHF-MSOLQXFVSA-N 2 0 386.496 0.704 20 0 GCADRP NC(=O)c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000892680478 1187947793 /nfs/dbraw/zinc/94/77/93/1187947793.db2.gz ZHQGTUJHZCPPKU-DLBZAZTESA-N 2 0 395.511 0.477 20 0 GCADRP CCC(CC)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCOCC1 ZINC000659432287 1187957694 /nfs/dbraw/zinc/95/76/94/1187957694.db2.gz YBMOACHGWJRGEZ-OAHLLOKOSA-N 2 0 380.493 0.577 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000659439885 1187958409 /nfs/dbraw/zinc/95/84/09/1187958409.db2.gz JXWXDEDGSOHZDX-HNNXBMFYSA-N 2 0 377.489 0.755 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000659470459 1187962500 /nfs/dbraw/zinc/96/25/00/1187962500.db2.gz BUOBHWLVQHOAIQ-GJZGRUSLSA-N 2 0 378.477 0.208 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000659582121 1187973159 /nfs/dbraw/zinc/97/31/59/1187973159.db2.gz PKDTYZYJEVNSBR-IUODEOHRSA-N 2 0 392.410 0.864 20 0 GCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659608312 1187976023 /nfs/dbraw/zinc/97/60/23/1187976023.db2.gz MPPWWEPLDLHOBR-SJORKVTESA-N 2 0 381.521 0.269 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000659672465 1187990456 /nfs/dbraw/zinc/99/04/56/1187990456.db2.gz WDFXOGZVEWJJIH-MSOLQXFVSA-N 2 0 394.560 0.971 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659678982 1187992639 /nfs/dbraw/zinc/99/26/39/1187992639.db2.gz BJBVNDYAIRZTPP-UBDQQSCGSA-N 2 0 380.533 0.456 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000659674698 1187993976 /nfs/dbraw/zinc/99/39/76/1187993976.db2.gz OMQIJRWATSELCR-UHFFFAOYSA-N 2 0 387.528 0.308 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000659677154 1187995184 /nfs/dbraw/zinc/99/51/84/1187995184.db2.gz AMRHEDNMFFSTIF-UHFFFAOYSA-N 2 0 376.501 0.973 20 0 GCADRP O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000659688162 1187998297 /nfs/dbraw/zinc/99/82/97/1187998297.db2.gz GSZZLKBPYBPCTJ-GOSISDBHSA-N 2 0 376.501 0.030 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000659682254 1187998881 /nfs/dbraw/zinc/99/88/81/1187998881.db2.gz IGTGCMIQMCKLML-OWSLCNJRSA-N 2 0 382.549 0.825 20 0 GCADRP C[N@H+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CCCCC1 ZINC000659697920 1188000024 /nfs/dbraw/zinc/00/00/24/1188000024.db2.gz LEXNHLAXVUJPNC-UHFFFAOYSA-N 2 0 378.477 0.028 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCC3([NH3+])CCCC3)CCCC2)CC1 ZINC000659706696 1188002608 /nfs/dbraw/zinc/00/26/08/1188002608.db2.gz AHXUMCZIDWKXPG-UHFFFAOYSA-N 2 0 380.533 0.914 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCSC1 ZINC000659702086 1188005308 /nfs/dbraw/zinc/00/53/08/1188005308.db2.gz NXNDHRICNHDCPT-VQIMIIECSA-N 2 0 382.574 0.778 20 0 GCADRP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659732808 1188019581 /nfs/dbraw/zinc/01/95/81/1188019581.db2.gz OHXMSERWEARQCD-UHFFFAOYSA-N 2 0 387.528 0.935 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCCC1 ZINC000659734516 1188019693 /nfs/dbraw/zinc/01/96/93/1188019693.db2.gz QCFNMRVTRGMIGA-UHFFFAOYSA-N 2 0 380.533 0.725 20 0 GCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000415299027 1188025626 /nfs/dbraw/zinc/02/56/26/1188025626.db2.gz YCRYRQMWLUALRK-OAHLLOKOSA-N 2 0 387.484 0.999 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000415307181 1188028197 /nfs/dbraw/zinc/02/81/97/1188028197.db2.gz XODKORNDGXBGMH-HNNXBMFYSA-N 2 0 389.500 0.596 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC000377474784 1188032066 /nfs/dbraw/zinc/03/20/66/1188032066.db2.gz KTNPCCWSYWQHAP-UHFFFAOYSA-N 2 0 380.537 0.503 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000377474719 1188032282 /nfs/dbraw/zinc/03/22/82/1188032282.db2.gz JUDVJOUFUGDPAX-UHFFFAOYSA-N 2 0 381.521 0.583 20 0 GCADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000415323045 1188038184 /nfs/dbraw/zinc/03/81/84/1188038184.db2.gz FUZWAVHMOKTVPP-QGZVFWFLSA-N 2 0 387.484 0.918 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415366996 1188061622 /nfs/dbraw/zinc/06/16/22/1188061622.db2.gz GIFYQDYKSOOFFA-AWEZNQCLSA-N 2 0 375.473 0.335 20 0 GCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415369954 1188062906 /nfs/dbraw/zinc/06/29/06/1188062906.db2.gz NCAQXNRTMGIJAD-MRXNPFEDSA-N 2 0 389.500 0.309 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c1 ZINC000415381212 1188068643 /nfs/dbraw/zinc/06/86/43/1188068643.db2.gz MVYVSCYZVMNKPI-UHFFFAOYSA-N 2 0 377.489 0.550 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000415420738 1188076049 /nfs/dbraw/zinc/07/60/49/1188076049.db2.gz BLEURNAXWAKSAH-SFHVURJKSA-N 2 0 375.517 0.862 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000415437350 1188080296 /nfs/dbraw/zinc/08/02/96/1188080296.db2.gz PFHFWDWFWGEFSJ-AWEZNQCLSA-N 2 0 375.473 0.726 20 0 GCADRP CC[NH+]1CCN(c2nc(C(N)=O)cc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000892971333 1188080496 /nfs/dbraw/zinc/08/04/96/1188080496.db2.gz QJKMSIKBOBRXMV-GJZGRUSLSA-N 2 0 375.521 0.636 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000415447103 1188083894 /nfs/dbraw/zinc/08/38/94/1188083894.db2.gz WXRLJFZSFKEWSB-OAHLLOKOSA-N 2 0 389.500 0.517 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000415468951 1188087910 /nfs/dbraw/zinc/08/79/10/1188087910.db2.gz WJAGKXQCLRYNGY-VQIMIIECSA-N 2 0 387.528 0.958 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH2+]C)cc2)CC1 ZINC000415490418 1188090345 /nfs/dbraw/zinc/09/03/45/1188090345.db2.gz YJLGMPRXKBKORG-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021055 1188102654 /nfs/dbraw/zinc/10/26/54/1188102654.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 2 0 379.549 0.396 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000415551521 1188104387 /nfs/dbraw/zinc/10/43/87/1188104387.db2.gz DRBMLIOCAVZYCR-UONOGXRCSA-N 2 0 375.473 0.724 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCO1 ZINC000415602639 1188120388 /nfs/dbraw/zinc/12/03/88/1188120388.db2.gz SCVRQGAGGGEWOO-GOSISDBHSA-N 2 0 390.484 0.676 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000377733594 1188122927 /nfs/dbraw/zinc/12/29/27/1188122927.db2.gz BIKXGPSJRBJCPE-RBUKOAKNSA-N 2 0 379.549 0.663 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000377733593 1188123031 /nfs/dbraw/zinc/12/30/31/1188123031.db2.gz BIKXGPSJRBJCPE-OALUTQOASA-N 2 0 379.549 0.663 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000377733595 1188123460 /nfs/dbraw/zinc/12/34/60/1188123460.db2.gz BIKXGPSJRBJCPE-RTBURBONSA-N 2 0 379.549 0.663 20 0 GCADRP C[NH2+]CCNc1cc(C(=O)OC)cc(Oc2cnc(N3CC[NH2+]CC3)nc2)n1 ZINC001167721690 1188125569 /nfs/dbraw/zinc/12/55/69/1188125569.db2.gz NPNNPOABUFJONT-UHFFFAOYSA-N 2 0 387.444 0.491 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000415608811 1188126527 /nfs/dbraw/zinc/12/65/27/1188126527.db2.gz VBTGNYSWIDCYJN-NRFANRHFSA-N 2 0 385.512 0.585 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000415657446 1188134357 /nfs/dbraw/zinc/13/43/57/1188134357.db2.gz NSHIXFLYCHJJKF-MRXNPFEDSA-N 2 0 375.517 0.877 20 0 GCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(C(N)=O)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000893077649 1188137870 /nfs/dbraw/zinc/13/78/70/1188137870.db2.gz BNDXWAVQYVAKMK-BARDWOONSA-N 2 0 375.521 0.633 20 0 GCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000415702104 1188143263 /nfs/dbraw/zinc/14/32/63/1188143263.db2.gz COMRJPFHDZQRGK-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP COC[C@@]1(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)CCC[NH2+]1 ZINC000415701307 1188143726 /nfs/dbraw/zinc/14/37/26/1188143726.db2.gz BJQSEGJYEWJXFA-FQEVSTJZSA-N 2 0 392.500 0.759 20 0 GCADRP COC[C@@]1(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CCC[NH2+]1 ZINC000415714320 1188148008 /nfs/dbraw/zinc/14/80/08/1188148008.db2.gz XYOKRMSJJIPNHY-IBGZPJMESA-N 2 0 396.463 0.589 20 0 GCADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415717271 1188148275 /nfs/dbraw/zinc/14/82/75/1188148275.db2.gz XZBGEQZOLITHRT-HXUWFJFHSA-N 2 0 399.539 0.770 20 0 GCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1)C1CC1 ZINC000415721960 1188151077 /nfs/dbraw/zinc/15/10/77/1188151077.db2.gz GPPPVZNIQWMJAR-FQEVSTJZSA-N 2 0 399.539 0.768 20 0 GCADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415719235 1188151177 /nfs/dbraw/zinc/15/11/77/1188151177.db2.gz CDTRCTLGOOUAPG-FQEVSTJZSA-N 2 0 399.539 0.770 20 0 GCADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415725563 1188151967 /nfs/dbraw/zinc/15/19/67/1188151967.db2.gz NBQAFLYMTRHTJA-FQEVSTJZSA-N 2 0 399.539 0.770 20 0 GCADRP CN(C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)C1C[NH2+]C1 ZINC000415729307 1188153092 /nfs/dbraw/zinc/15/30/92/1188153092.db2.gz BPSOSXYBXMJKBM-INIZCTEOSA-N 2 0 387.484 0.222 20 0 GCADRP CN(C(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)C1C[NH2+]C1 ZINC000415734418 1188154380 /nfs/dbraw/zinc/15/43/80/1188154380.db2.gz JHMJMCIMXDOYTJ-UHFFFAOYSA-N 2 0 387.484 0.870 20 0 GCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415757073 1188157431 /nfs/dbraw/zinc/15/74/31/1188157431.db2.gz MTHBRIYKOGEMTQ-HALDLXJZSA-N 2 0 391.903 0.754 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000415771412 1188161047 /nfs/dbraw/zinc/16/10/47/1188161047.db2.gz ROZWVALOMSHMCO-CJNGLKHVSA-N 2 0 378.448 0.915 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000415771415 1188161154 /nfs/dbraw/zinc/16/11/54/1188161154.db2.gz ROZWVALOMSHMCO-XJKSGUPXSA-N 2 0 378.448 0.915 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(c2nc(NC3CC3)nc(N3CC[C@@H](C[NH+](C)C)C3)n2)C1 ZINC000893118749 1189373416 /nfs/dbraw/zinc/37/34/16/1189373416.db2.gz JKWCUERVBLGHMD-HOTGVXAUSA-N 2 0 388.564 0.644 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415838111 1189376505 /nfs/dbraw/zinc/37/65/05/1189376505.db2.gz RDNODVSTILRUIC-MRXNPFEDSA-N 2 0 392.500 0.840 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000415834388 1189378148 /nfs/dbraw/zinc/37/81/48/1189378148.db2.gz ALHPDZVXKBMSSL-LSDHHAIUSA-N 2 0 389.500 0.959 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415968192 1189410549 /nfs/dbraw/zinc/41/05/49/1189410549.db2.gz XMHSVWXAUDOZDP-QAPCUYQASA-N 2 0 388.516 0.962 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415968190 1189411019 /nfs/dbraw/zinc/41/10/19/1189411019.db2.gz XMHSVWXAUDOZDP-CRAIPNDOSA-N 2 0 388.516 0.962 20 0 GCADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000041324844 1189431602 /nfs/dbraw/zinc/43/16/02/1189431602.db2.gz QLKDJBCHTZTHCN-UHFFFAOYSA-N 2 0 375.517 0.829 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[NH+]4CCN3CCC4)cc2)C1 ZINC000378320660 1189474644 /nfs/dbraw/zinc/47/46/44/1189474644.db2.gz VOEDIVLGSHRSPN-IEBWSBKVSA-N 2 0 385.512 0.712 20 0 GCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000378528069 1189528105 /nfs/dbraw/zinc/52/81/05/1189528105.db2.gz HACIQNHBTSOGND-IRXDYDNUSA-N 2 0 397.545 0.632 20 0 GCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000378528070 1189528181 /nfs/dbraw/zinc/52/81/81/1189528181.db2.gz HACIQNHBTSOGND-SJORKVTESA-N 2 0 397.545 0.632 20 0 GCADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000416947557 1189599877 /nfs/dbraw/zinc/59/98/77/1189599877.db2.gz GXPWOHTVJNRQGS-MOPGFXCFSA-N 2 0 381.565 0.813 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000416952059 1189600287 /nfs/dbraw/zinc/60/02/87/1189600287.db2.gz SOAHUOIZZPXLCV-QLFBSQMISA-N 2 0 395.470 0.621 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000416962483 1189600885 /nfs/dbraw/zinc/60/08/85/1189600885.db2.gz AFBAXSUIWZCUGL-SFHVURJKSA-N 2 0 375.517 0.816 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000416976675 1189602693 /nfs/dbraw/zinc/60/26/93/1189602693.db2.gz RGAOVCDFLKHXBN-SFHVURJKSA-N 2 0 375.517 0.816 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015988 1189607988 /nfs/dbraw/zinc/60/79/88/1189607988.db2.gz HUFRISQLJBBFQV-RTBURBONSA-N 2 0 375.517 0.734 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000417012744 1189608028 /nfs/dbraw/zinc/60/80/28/1189608028.db2.gz ARKDDWCKVLDARQ-UHFFFAOYSA-N 2 0 388.560 0.399 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014819 1189608082 /nfs/dbraw/zinc/60/80/82/1189608082.db2.gz FYHUKMSCIUXZKW-RBUKOAKNSA-N 2 0 375.517 0.653 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000417028110 1189609768 /nfs/dbraw/zinc/60/97/68/1189609768.db2.gz ULPWPTQAHWGYGV-HXUWFJFHSA-N 2 0 389.544 0.954 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000417028108 1189609915 /nfs/dbraw/zinc/60/99/15/1189609915.db2.gz ULPWPTQAHWGYGV-FQEVSTJZSA-N 2 0 389.544 0.954 20 0 GCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417134731 1189623889 /nfs/dbraw/zinc/62/38/89/1189623889.db2.gz ATRLQZIJKIBOGX-HXUWFJFHSA-N 2 0 389.544 0.872 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CCSCC1)Cc1ccccc1 ZINC000584727482 1189639432 /nfs/dbraw/zinc/63/94/32/1189639432.db2.gz DVTHYXAYTNOTLT-QGZVFWFLSA-N 2 0 378.542 0.441 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915913 1189649738 /nfs/dbraw/zinc/64/97/38/1189649738.db2.gz MCQKAKSOLQYHLZ-JYJNAYRXSA-N 2 0 375.521 0.849 20 0 GCADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612917589 1189650342 /nfs/dbraw/zinc/65/03/42/1189650342.db2.gz HGVHAAGGENLPHY-CVEARBPZSA-N 2 0 375.521 0.850 20 0 GCADRP COC[C@@]1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000417383692 1189655534 /nfs/dbraw/zinc/65/55/34/1189655534.db2.gz KOJUGVLTICBPNF-FQEVSTJZSA-N 3 0 390.532 0.662 20 0 GCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000584770124 1189658098 /nfs/dbraw/zinc/65/80/98/1189658098.db2.gz KIHHXXRUWWTMTI-SFHVURJKSA-N 2 0 375.517 0.246 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000417459050 1189668577 /nfs/dbraw/zinc/66/85/77/1189668577.db2.gz LMZLQAKIQHWTIB-IBGZPJMESA-N 2 0 394.516 0.903 20 0 GCADRP [NH3+]CC[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(F)F ZINC000417519965 1189675989 /nfs/dbraw/zinc/67/59/89/1189675989.db2.gz WLZZWLNGCFTJRS-CQSZACIVSA-N 2 0 385.463 0.661 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000417757711 1189702232 /nfs/dbraw/zinc/70/22/32/1189702232.db2.gz ULCRBJVAYWVEPG-DLBZAZTESA-N 2 0 383.537 0.245 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCO1 ZINC000418115609 1189724592 /nfs/dbraw/zinc/72/45/92/1189724592.db2.gz OSOQSXUKMACAMQ-IAGOWNOFSA-N 2 0 383.537 0.516 20 0 GCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111494282 1189726392 /nfs/dbraw/zinc/72/63/92/1189726392.db2.gz IKBKOWVXFGMRAP-KURKYZTESA-N 2 0 377.533 0.999 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285153 1189748497 /nfs/dbraw/zinc/74/84/97/1189748497.db2.gz DYAXIAFOIKUPEX-RTBURBONSA-N 2 0 380.581 0.482 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)C2)CC1 ZINC000364332748 1189750695 /nfs/dbraw/zinc/75/06/95/1189750695.db2.gz QKRRLHFFFVKMQF-OALUTQOASA-N 2 0 381.565 0.909 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000364331908 1189752064 /nfs/dbraw/zinc/75/20/64/1189752064.db2.gz MVFVDFAGNHWICO-QZTJIDSGSA-N 2 0 395.548 0.435 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693621 1189775772 /nfs/dbraw/zinc/77/57/72/1189775772.db2.gz YTUWTNGVGCPFFP-FJIDUMEYSA-N 2 0 394.560 0.968 20 0 GCADRP COCC[NH2+]CCNC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418513711 1189810278 /nfs/dbraw/zinc/81/02/78/1189810278.db2.gz VPTKIXJJJLEUSO-HXUWFJFHSA-N 2 0 389.544 0.824 20 0 GCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000660542652 1189896846 /nfs/dbraw/zinc/89/68/46/1189896846.db2.gz AQRVBYZBDJAJME-OALUTQOASA-N 2 0 392.544 0.500 20 0 GCADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364940065 1189907093 /nfs/dbraw/zinc/90/70/93/1189907093.db2.gz BITISQJGVXRUKP-ROUUACIJSA-N 2 0 393.576 0.448 20 0 GCADRP CN1CCN(C(=O)CC[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000511855580 1189910245 /nfs/dbraw/zinc/91/02/45/1189910245.db2.gz PDHUHTCNBFOTJA-UHFFFAOYSA-N 3 0 387.572 0.900 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660582850 1189911409 /nfs/dbraw/zinc/91/14/09/1189911409.db2.gz AKSIIFQPXNKATP-MSOLQXFVSA-N 2 0 379.549 0.995 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000668942846 1189920353 /nfs/dbraw/zinc/92/03/53/1189920353.db2.gz OSCUYLBFPNKRRF-DLBZAZTESA-N 2 0 382.549 0.839 20 0 GCADRP CN(CC1(C)COC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000636662494 1189955541 /nfs/dbraw/zinc/95/55/41/1189955541.db2.gz KBHUGGJJHDPSOE-UHFFFAOYSA-N 2 0 389.500 0.205 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864874 1189959338 /nfs/dbraw/zinc/95/93/38/1189959338.db2.gz PWLHMVODDHNXQC-OALUTQOASA-N 2 0 381.565 0.813 20 0 GCADRP Cc1ncccc1CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000636663771 1189960686 /nfs/dbraw/zinc/96/06/86/1189960686.db2.gz NRKPJHQHKRHIJS-UHFFFAOYSA-N 2 0 396.495 0.730 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000418571716 1189978733 /nfs/dbraw/zinc/97/87/33/1189978733.db2.gz ZEGYOYLTFVPQMY-ROUUACIJSA-N 2 0 376.501 0.897 20 0 GCADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000662755043 1190021319 /nfs/dbraw/zinc/02/13/19/1190021319.db2.gz CIUCOVLCVYBUDW-QYZOEREBSA-N 2 0 387.528 0.806 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1=O ZINC000662866090 1190061890 /nfs/dbraw/zinc/06/18/90/1190061890.db2.gz CXFGKZRJSOVGNL-KBAYOESNSA-N 2 0 376.476 0.798 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000411019808 1193721259 /nfs/dbraw/zinc/72/12/59/1193721259.db2.gz FVFPIFVECVVNBR-ZWKOTPCHSA-N 2 0 380.533 0.498 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000419222890 1193721411 /nfs/dbraw/zinc/72/14/11/1193721411.db2.gz XQRBRNNLIUKXRE-MRXNPFEDSA-N 2 0 376.501 0.749 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000563531592 1193722072 /nfs/dbraw/zinc/72/20/72/1193722072.db2.gz HJFQBOIABJBVPC-RBUKOAKNSA-N 2 0 387.528 0.350 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)C[C@@H](C)O1 ZINC000419224615 1193722581 /nfs/dbraw/zinc/72/25/81/1193722581.db2.gz ZSZLWDCPSWCRNH-SPYBWZPUSA-N 2 0 388.512 0.766 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000419226606 1193728256 /nfs/dbraw/zinc/72/82/56/1193728256.db2.gz RBHJPUAMXPAXQS-QZTJIDSGSA-N 2 0 378.517 0.500 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000664006691 1193751767 /nfs/dbraw/zinc/75/17/67/1193751767.db2.gz KQEWJDGHSCFQSN-UHFFFAOYSA-N 2 0 383.537 0.293 20 0 GCADRP CNS(=O)(=O)c1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433163998 1193769769 /nfs/dbraw/zinc/76/97/69/1193769769.db2.gz ZEOMCYLWOFKUHN-AWEZNQCLSA-N 2 0 382.530 0.975 20 0 GCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000419275708 1193779735 /nfs/dbraw/zinc/77/97/35/1193779735.db2.gz ZDABASFZVQIJKV-GOSISDBHSA-N 2 0 376.501 0.721 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000512831825 1193781714 /nfs/dbraw/zinc/78/17/14/1193781714.db2.gz FGQNXXIFLWLSAQ-HKUYNNGSSA-N 2 0 387.528 0.811 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419286583 1193786427 /nfs/dbraw/zinc/78/64/27/1193786427.db2.gz QUHVOVFCDQICRK-OAHLLOKOSA-N 2 0 393.507 0.823 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419283840 1193786521 /nfs/dbraw/zinc/78/65/21/1193786521.db2.gz NQZKZLIIECIHEM-CABCVRRESA-N 2 0 391.491 0.575 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000419287930 1193787027 /nfs/dbraw/zinc/78/70/27/1193787027.db2.gz SCUNKQPRLRGTFP-GOSISDBHSA-N 2 0 393.576 0.556 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419289265 1193789133 /nfs/dbraw/zinc/78/91/33/1193789133.db2.gz UCPJFHRJUXSWCA-GOEBONIOSA-N 2 0 391.491 0.704 20 0 GCADRP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419290788 1193790165 /nfs/dbraw/zinc/79/01/65/1193790165.db2.gz WDKJEVPXMRADGS-JKIFEVAISA-N 2 0 391.491 0.560 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000419300207 1193793629 /nfs/dbraw/zinc/79/36/29/1193793629.db2.gz LGRBXFLDTFZNTG-HUUCEWRRSA-N 2 0 393.507 0.950 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419305338 1193797373 /nfs/dbraw/zinc/79/73/73/1193797373.db2.gz WMLJEXLGIUDXLD-GJZGRUSLSA-N 2 0 391.491 0.575 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000419305377 1193797397 /nfs/dbraw/zinc/79/73/97/1193797397.db2.gz WRUBKGAFAFXAID-HNNXBMFYSA-N 2 0 393.507 0.871 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419306929 1193798366 /nfs/dbraw/zinc/79/83/66/1193798366.db2.gz ZDKLILLYYRCFOB-CQSZACIVSA-N 2 0 379.480 0.562 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000419305026 1193799333 /nfs/dbraw/zinc/79/93/33/1193799333.db2.gz VVNQUWSKOYRDON-GOEBONIOSA-N 2 0 391.491 0.575 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C1 ZINC000419327453 1193818352 /nfs/dbraw/zinc/81/83/52/1193818352.db2.gz CZTUZKYRPWROLT-IAGOWNOFSA-N 2 0 390.528 0.560 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C1 ZINC000419327452 1193818537 /nfs/dbraw/zinc/81/85/37/1193818537.db2.gz CZTUZKYRPWROLT-CALCHBBNSA-N 2 0 390.528 0.560 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419324811 1193818656 /nfs/dbraw/zinc/81/86/56/1193818656.db2.gz AVBMNQDMYUWGOT-KRWDZBQOSA-N 2 0 392.500 0.210 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000428754822 1193818965 /nfs/dbraw/zinc/81/89/65/1193818965.db2.gz VVXXSXACVAXZEG-RDJZCZTQSA-N 2 0 381.521 0.221 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000419326961 1193820636 /nfs/dbraw/zinc/82/06/36/1193820636.db2.gz CNBYAQNHXOQASR-KRWDZBQOSA-N 2 0 387.528 0.261 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000419330028 1193822086 /nfs/dbraw/zinc/82/20/86/1193822086.db2.gz FXZQVJIAFCIJHW-QGZVFWFLSA-N 2 0 376.501 0.973 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419330639 1193823141 /nfs/dbraw/zinc/82/31/41/1193823141.db2.gz GNHFOLNHQMIXSR-IBGZPJMESA-N 2 0 389.544 0.540 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419336435 1193829195 /nfs/dbraw/zinc/82/91/95/1193829195.db2.gz KJLSTQSEDXYZLW-INIZCTEOSA-N 2 0 376.501 0.831 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000419341237 1193834658 /nfs/dbraw/zinc/83/46/58/1193834658.db2.gz OCQODGOFFCPAJY-MRXNPFEDSA-N 2 0 376.501 0.844 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000664080316 1193840329 /nfs/dbraw/zinc/84/03/29/1193840329.db2.gz PRBRUOWKVWZROP-OALUTQOASA-N 2 0 376.501 0.978 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000419345627 1193840513 /nfs/dbraw/zinc/84/05/13/1193840513.db2.gz UJQJSKLCMJDYDM-IBGZPJMESA-N 2 0 387.528 0.309 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000419344904 1193841448 /nfs/dbraw/zinc/84/14/48/1193841448.db2.gz SPCGRLQKLRVJOD-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000419348678 1193843212 /nfs/dbraw/zinc/84/32/12/1193843212.db2.gz XWUWIAGNBWDCJZ-UHFFFAOYSA-N 2 0 387.528 0.390 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419349452 1193844748 /nfs/dbraw/zinc/84/47/48/1193844748.db2.gz YKLWSKCLOZAAHN-HDICACEKSA-N 2 0 388.512 0.701 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000419350846 1193846155 /nfs/dbraw/zinc/84/61/55/1193846155.db2.gz ZVLKLKHYRSOISU-CRAIPNDOSA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCNC(=S)NNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000047367843 1193847084 /nfs/dbraw/zinc/84/70/84/1193847084.db2.gz CTRKTJHCZMIBNW-UHFFFAOYSA-N 2 0 378.546 0.256 20 0 GCADRP CSC[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419354925 1193854767 /nfs/dbraw/zinc/85/47/67/1193854767.db2.gz DSQMSJPRFGYZKK-OAHLLOKOSA-N 2 0 378.542 0.964 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000571455320 1193877212 /nfs/dbraw/zinc/87/72/12/1193877212.db2.gz PYDYLBJRZQDHDB-QZTJIDSGSA-N 2 0 382.549 0.794 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419380923 1193887456 /nfs/dbraw/zinc/88/74/56/1193887456.db2.gz XXTDIVQKEQPNLH-KURKYZTESA-N 2 0 382.549 0.824 20 0 GCADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419385931 1193898541 /nfs/dbraw/zinc/89/85/41/1193898541.db2.gz CWIOUQDNWQDVCL-GOSISDBHSA-N 2 0 388.512 0.434 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000419389459 1193900192 /nfs/dbraw/zinc/90/01/92/1193900192.db2.gz FIJUUWUUHINTCV-XLIONFOSSA-N 2 0 390.553 0.918 20 0 GCADRP C[NH+](C)CCCNC(=S)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729160006 1193907107 /nfs/dbraw/zinc/90/71/07/1193907107.db2.gz GEBBBCBKOFIVRJ-UHFFFAOYSA-N 2 0 379.578 0.795 20 0 GCADRP O=C(CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262131277 1193940181 /nfs/dbraw/zinc/94/01/81/1193940181.db2.gz NZNLWWBOZOQFLC-UHFFFAOYSA-N 2 0 380.514 0.205 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643371964 1193940193 /nfs/dbraw/zinc/94/01/93/1193940193.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 2 0 379.549 0.166 20 0 GCADRP COCC1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000262361513 1193946120 /nfs/dbraw/zinc/94/61/20/1193946120.db2.gz KLGOHBFLKBKMOK-UHFFFAOYSA-N 2 0 376.501 0.610 20 0 GCADRP C[N@H+](CCOc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1)C1CCOCC1 ZINC000262505154 1193949583 /nfs/dbraw/zinc/94/95/83/1193949583.db2.gz LGRXUHLBOZONTM-PKOBYXMFSA-N 2 0 377.485 0.515 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000433824467 1193951289 /nfs/dbraw/zinc/95/12/89/1193951289.db2.gz UYEBHTVJHNTBHO-LJQANCHMSA-N 2 0 380.581 0.432 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C2)CC1 ZINC000513457197 1193953016 /nfs/dbraw/zinc/95/30/16/1193953016.db2.gz IGMVIBMPOACLSE-IRXDYDNUSA-N 2 0 381.565 0.317 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000262950599 1193958932 /nfs/dbraw/zinc/95/89/32/1193958932.db2.gz BVAYMAYSXPFOQZ-IBGZPJMESA-N 2 0 376.501 0.359 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000513579417 1193964038 /nfs/dbraw/zinc/96/40/38/1193964038.db2.gz HYBVYMRZSBCNIZ-OAHLLOKOSA-N 2 0 389.500 0.925 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000419402356 1194020265 /nfs/dbraw/zinc/02/02/65/1194020265.db2.gz CHLSGPKMFHAFRO-SFHVURJKSA-N 2 0 394.491 0.901 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419406439 1194021961 /nfs/dbraw/zinc/02/19/61/1194021961.db2.gz WVMXMQQQLLOYCZ-UHOSZYNNSA-N 2 0 388.512 0.508 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419419130 1194022236 /nfs/dbraw/zinc/02/22/36/1194022236.db2.gz LVRXITDGRPLVQI-LJQANCHMSA-N 2 0 387.528 0.164 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419419317 1194022922 /nfs/dbraw/zinc/02/29/22/1194022922.db2.gz JEDDCUAGGPIJJD-YJBOKZPZSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419421682 1194023178 /nfs/dbraw/zinc/02/31/78/1194023178.db2.gz PBFIZFPBRBTUDM-ZWKOTPCHSA-N 2 0 387.528 0.511 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419421679 1194023464 /nfs/dbraw/zinc/02/34/64/1194023464.db2.gz PBFIZFPBRBTUDM-MSOLQXFVSA-N 2 0 387.528 0.511 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419421760 1194023570 /nfs/dbraw/zinc/02/35/70/1194023570.db2.gz PNLFFCWDQBLFAD-MSOLQXFVSA-N 2 0 387.528 0.511 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419421680 1194023766 /nfs/dbraw/zinc/02/37/66/1194023766.db2.gz PBFIZFPBRBTUDM-QZTJIDSGSA-N 2 0 387.528 0.511 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421299 1194024164 /nfs/dbraw/zinc/02/41/64/1194024164.db2.gz OQIGSLAQRDQLJM-BHIYHBOVSA-N 2 0 387.528 0.287 20 0 GCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419424339 1194025798 /nfs/dbraw/zinc/02/57/98/1194025798.db2.gz TVWDEGMZTKHXMV-KRWDZBQOSA-N 2 0 375.517 0.022 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419426772 1194026944 /nfs/dbraw/zinc/02/69/44/1194026944.db2.gz YCNBMIJJKSYZNB-GOSISDBHSA-N 2 0 375.517 0.414 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427177 1194027462 /nfs/dbraw/zinc/02/74/62/1194027462.db2.gz YTUZSNOGOCLUBF-OALUTQOASA-N 2 0 387.528 0.335 20 0 GCADRP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409572 1194028695 /nfs/dbraw/zinc/02/86/95/1194028695.db2.gz FIHHJDFJJPHHHM-FHWLQOOXSA-N 2 0 388.512 0.603 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000419414857 1194030758 /nfs/dbraw/zinc/03/07/58/1194030758.db2.gz HHFMNHHOLIIRJH-OALUTQOASA-N 2 0 387.528 0.302 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419413431 1194030890 /nfs/dbraw/zinc/03/08/90/1194030890.db2.gz FOXXMHYUSYKXOR-UHFFFAOYSA-N 2 0 387.528 0.132 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419414018 1194031347 /nfs/dbraw/zinc/03/13/47/1194031347.db2.gz DRYBMDVYRKDJCT-RTBURBONSA-N 2 0 388.512 0.516 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419414015 1194031361 /nfs/dbraw/zinc/03/13/61/1194031361.db2.gz DRYBMDVYRKDJCT-MOPGFXCFSA-N 2 0 388.512 0.516 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419445186 1194035615 /nfs/dbraw/zinc/03/56/15/1194035615.db2.gz DOKVZIUIJRUULI-LMMKCTJWSA-N 2 0 387.528 0.509 20 0 GCADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419445759 1194035743 /nfs/dbraw/zinc/03/57/43/1194035743.db2.gz FDNDIJIIQHOUSJ-ROUUACIJSA-N 2 0 387.528 0.429 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419445190 1194035817 /nfs/dbraw/zinc/03/58/17/1194035817.db2.gz DOKVZIUIJRUULI-ZHALLVOQSA-N 2 0 387.528 0.509 20 0 GCADRP C[C@H]1C[C@@H](CCNC(=O)C(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000419481295 1194041016 /nfs/dbraw/zinc/04/10/16/1194041016.db2.gz WQLXWJHMIACIQG-FUHWJXTLSA-N 2 0 376.501 0.183 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419533826 1194050294 /nfs/dbraw/zinc/05/02/94/1194050294.db2.gz JFFIIQUDFPABSW-QZTJIDSGSA-N 2 0 376.501 0.762 20 0 GCADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000419514685 1194051671 /nfs/dbraw/zinc/05/16/71/1194051671.db2.gz PJKCCESUGOMXCA-HZPDHXFCSA-N 2 0 379.505 0.619 20 0 GCADRP CCC[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1CCOC ZINC000501079367 1194053108 /nfs/dbraw/zinc/05/31/08/1194053108.db2.gz ZSEXQUBWBRKVTG-ROUUACIJSA-N 2 0 397.564 0.716 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000419535964 1194055146 /nfs/dbraw/zinc/05/51/46/1194055146.db2.gz LQEHFIGKSZRNMU-SJLPKXTDSA-N 2 0 376.501 0.619 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000419547826 1194056980 /nfs/dbraw/zinc/05/69/80/1194056980.db2.gz RYFDVQJTFYHCAB-NXHRZFHOSA-N 2 0 376.501 0.618 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000419548471 1194057297 /nfs/dbraw/zinc/05/72/97/1194057297.db2.gz RHPXNUQYTSXVAQ-OLZOCXBDSA-N 2 0 395.470 0.031 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000419548475 1194057402 /nfs/dbraw/zinc/05/74/02/1194057402.db2.gz RHPXNUQYTSXVAQ-STQMWFEESA-N 2 0 395.470 0.031 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419549199 1194058251 /nfs/dbraw/zinc/05/82/51/1194058251.db2.gz VEPOFKDKDLJXPM-ZWKOTPCHSA-N 2 0 376.501 0.680 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419549194 1194058284 /nfs/dbraw/zinc/05/82/84/1194058284.db2.gz VEPOFKDKDLJXPM-MSOLQXFVSA-N 2 0 376.501 0.680 20 0 GCADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419556892 1194058785 /nfs/dbraw/zinc/05/87/85/1194058785.db2.gz LCSJODKWPAQBQI-BZUAXINKSA-N 2 0 393.557 0.989 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000419560703 1194060787 /nfs/dbraw/zinc/06/07/87/1194060787.db2.gz RKRXSVDVYOOEEK-FDPIWHGQSA-N 2 0 388.512 0.856 20 0 GCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000419565651 1194061890 /nfs/dbraw/zinc/06/18/90/1194061890.db2.gz ZXHYYNRAEAGYDI-AIANPOQGSA-N 2 0 376.526 0.925 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000419585577 1194065444 /nfs/dbraw/zinc/06/54/44/1194065444.db2.gz GDMYHVBEFLHKOO-ULQDDVLXSA-N 2 0 390.528 0.775 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000419654471 1194074055 /nfs/dbraw/zinc/07/40/55/1194074055.db2.gz GMRLATUUGXVSRF-YJBOKZPZSA-N 2 0 376.501 0.481 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419656818 1194074811 /nfs/dbraw/zinc/07/48/11/1194074811.db2.gz IZXUNSIRCAYBSO-WMZOPIPTSA-N 2 0 376.501 0.508 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000419650797 1194076823 /nfs/dbraw/zinc/07/68/23/1194076823.db2.gz CWYNXUMRQZOGPH-HZPDHXFCSA-N 2 0 376.501 0.842 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000419661378 1194077053 /nfs/dbraw/zinc/07/70/53/1194077053.db2.gz MNDPTONTYFRFNK-ZWKOTPCHSA-N 2 0 388.512 0.354 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419650189 1194077067 /nfs/dbraw/zinc/07/70/67/1194077067.db2.gz CFKADCRIFQSXFY-KRWDZBQOSA-N 2 0 376.501 0.496 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419661376 1194077124 /nfs/dbraw/zinc/07/71/24/1194077124.db2.gz MNDPTONTYFRFNK-ROUUACIJSA-N 2 0 388.512 0.354 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419663780 1194077580 /nfs/dbraw/zinc/07/75/80/1194077580.db2.gz QPWLLHDCHPOJOX-IEBWSBKVSA-N 2 0 387.528 0.177 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419665732 1194078146 /nfs/dbraw/zinc/07/81/46/1194078146.db2.gz UXBLSPAXLJADJK-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000419665489 1194078169 /nfs/dbraw/zinc/07/81/69/1194078169.db2.gz ORTWUAAXLHOOJX-PBHICJAKSA-N 2 0 389.500 0.643 20 0 GCADRP CC1(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]CC1 ZINC000419673580 1194079388 /nfs/dbraw/zinc/07/93/88/1194079388.db2.gz CJKLXLWJOOHZBK-UHFFFAOYSA-N 2 0 382.574 0.970 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCCO1 ZINC000419681227 1194081548 /nfs/dbraw/zinc/08/15/48/1194081548.db2.gz RNFVZBRXNLMFIQ-QGZVFWFLSA-N 2 0 380.533 0.725 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419698399 1194087690 /nfs/dbraw/zinc/08/76/90/1194087690.db2.gz ZGERZMBSPDINFU-BRWVUGGUSA-N 2 0 394.585 0.969 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CCCC[C@H]3C[NH3+])CCCC2)CC1 ZINC000419749140 1194095556 /nfs/dbraw/zinc/09/55/56/1194095556.db2.gz GNIHAGHVXLNKPP-INIZCTEOSA-N 2 0 380.533 0.866 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000419749785 1194096271 /nfs/dbraw/zinc/09/62/71/1194096271.db2.gz HOIPLULWOWZMBV-UHFFFAOYSA-N 2 0 394.560 0.984 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CCCC2)CC1 ZINC000419750839 1194096676 /nfs/dbraw/zinc/09/66/76/1194096676.db2.gz JEAUPOPWZBKQRP-SJORKVTESA-N 2 0 392.544 0.594 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CCCC2)CC1 ZINC000419750792 1194097019 /nfs/dbraw/zinc/09/70/19/1194097019.db2.gz JBCCFHDDDKYRGH-HZPDHXFCSA-N 2 0 380.533 0.722 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419759972 1194099038 /nfs/dbraw/zinc/09/90/38/1194099038.db2.gz YVESTYCLTCDRKN-UKRRQHHQSA-N 2 0 384.521 0.221 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccc(F)cc1 ZINC000419759070 1194099318 /nfs/dbraw/zinc/09/93/18/1194099318.db2.gz LUUMMPWKEMCYPF-UHFFFAOYSA-N 2 0 376.476 0.976 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419739906 1194100294 /nfs/dbraw/zinc/10/02/94/1194100294.db2.gz XCLGMCSSTFGZPH-PBHICJAKSA-N 2 0 382.455 0.985 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000419762589 1194101374 /nfs/dbraw/zinc/10/13/74/1194101374.db2.gz MEULSCQMGOOTEN-LJQANCHMSA-N 2 0 387.528 0.035 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419769215 1194102036 /nfs/dbraw/zinc/10/20/36/1194102036.db2.gz DKRUXIHZMBPPGG-HZPDHXFCSA-N 2 0 395.548 0.069 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCc2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000419779566 1194104463 /nfs/dbraw/zinc/10/44/63/1194104463.db2.gz JDCAGRQMPJISTE-UHFFFAOYSA-N 2 0 395.507 0.850 20 0 GCADRP CCOCCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419793109 1194104651 /nfs/dbraw/zinc/10/46/51/1194104651.db2.gz ITGNAOPZRBYRQM-UHFFFAOYSA-N 2 0 376.501 0.639 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C(C)C ZINC000419792785 1194104662 /nfs/dbraw/zinc/10/46/62/1194104662.db2.gz AIXOLTQBIOXELC-ZWKOTPCHSA-N 2 0 382.549 0.966 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)C ZINC000419796544 1194105927 /nfs/dbraw/zinc/10/59/27/1194105927.db2.gz OYVWVJVGCLZNAB-MRXNPFEDSA-N 2 0 383.537 0.068 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCCC1 ZINC000419801703 1194106315 /nfs/dbraw/zinc/10/63/15/1194106315.db2.gz BORVMWCXBDMUHB-MRXNPFEDSA-N 2 0 395.548 0.213 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419800499 1194106325 /nfs/dbraw/zinc/10/63/25/1194106325.db2.gz AKDPTMLUQJLDDE-ZWKOTPCHSA-N 2 0 390.484 0.134 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419806203 1194111512 /nfs/dbraw/zinc/11/15/12/1194111512.db2.gz FBLTZSYAZQZOSV-IBGZPJMESA-N 2 0 386.496 0.984 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000419812528 1194112475 /nfs/dbraw/zinc/11/24/75/1194112475.db2.gz GMAZVIFGJRCSNQ-BPQIPLTHSA-N 2 0 380.533 0.579 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419857899 1194123003 /nfs/dbraw/zinc/12/30/03/1194123003.db2.gz VRELFINCPGNWAB-OAQYLSRUSA-N 2 0 388.512 0.340 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419864344 1194124923 /nfs/dbraw/zinc/12/49/23/1194124923.db2.gz INLALJXHALHOOC-IAGOWNOFSA-N 2 0 381.565 0.271 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419864346 1194125276 /nfs/dbraw/zinc/12/52/76/1194125276.db2.gz INLALJXHALHOOC-IRXDYDNUSA-N 2 0 381.565 0.271 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419864954 1194125669 /nfs/dbraw/zinc/12/56/69/1194125669.db2.gz SNEHGKGCKKRJHB-SFHVURJKSA-N 2 0 382.549 0.699 20 0 GCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000419873923 1194129001 /nfs/dbraw/zinc/12/90/01/1194129001.db2.gz SELSWGZPYNOGEV-QGZVFWFLSA-N 2 0 389.544 0.644 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000419875330 1194129058 /nfs/dbraw/zinc/12/90/58/1194129058.db2.gz DWIABKMIBQTHQU-AYOQOUSVSA-N 2 0 388.512 0.667 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000419874429 1194129513 /nfs/dbraw/zinc/12/95/13/1194129513.db2.gz WAJCQORWYZASID-LJQANCHMSA-N 2 0 387.528 0.116 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000419882824 1194132204 /nfs/dbraw/zinc/13/22/04/1194132204.db2.gz VMTSFARZKYAZLI-ZYSHUDEJSA-N 2 0 388.512 0.810 20 0 GCADRP CN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419884546 1194133142 /nfs/dbraw/zinc/13/31/42/1194133142.db2.gz ODZHPVNWCDLKLW-IBGZPJMESA-N 2 0 387.528 0.131 20 0 GCADRP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419894830 1194135059 /nfs/dbraw/zinc/13/50/59/1194135059.db2.gz RJCVWVRMBZTPJP-QXAKKESOSA-N 2 0 393.576 0.650 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000419905694 1194136645 /nfs/dbraw/zinc/13/66/45/1194136645.db2.gz WIFWBZLNTNTMAA-RBUKOAKNSA-N 2 0 388.512 0.811 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419917089 1194138559 /nfs/dbraw/zinc/13/85/59/1194138559.db2.gz RPHRJWVHCJWPBE-FGTMMUONSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419906661 1194141115 /nfs/dbraw/zinc/14/11/15/1194141115.db2.gz AOLVMWRAUWWLEI-ZIFCJYIRSA-N 2 0 394.560 0.840 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419907483 1194141437 /nfs/dbraw/zinc/14/14/37/1194141437.db2.gz XMOZRZXDHHWYFG-LSDHHAIUSA-N 2 0 375.473 0.243 20 0 GCADRP CC[C@@]1(COC)NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000419959255 1194147152 /nfs/dbraw/zinc/14/71/52/1194147152.db2.gz XBHCQZRYBFJITB-IBGZPJMESA-N 2 0 375.473 0.941 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)C2)CC1 ZINC000419966781 1194149082 /nfs/dbraw/zinc/14/90/82/1194149082.db2.gz MCZSVEWXQXGNDJ-QZTJIDSGSA-N 2 0 379.549 0.249 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)c1 ZINC000419968830 1194149658 /nfs/dbraw/zinc/14/96/58/1194149658.db2.gz QVNOKMRUEITDHK-QGZVFWFLSA-N 2 0 389.500 0.763 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419977001 1194151472 /nfs/dbraw/zinc/15/14/72/1194151472.db2.gz MGFVQLQPYBSUJM-KZNAEPCWSA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419980584 1194152010 /nfs/dbraw/zinc/15/20/10/1194152010.db2.gz RAARNEXFXJOKRX-NUJGCVRESA-N 2 0 382.549 0.824 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419988215 1194152897 /nfs/dbraw/zinc/15/28/97/1194152897.db2.gz ZHJBEJIQBIXOGH-KRWDZBQOSA-N 2 0 382.549 0.842 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419992819 1194154075 /nfs/dbraw/zinc/15/40/75/1194154075.db2.gz IBPRQDONTQMKKE-FXAWDEMLSA-N 2 0 376.501 0.181 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419996070 1194154384 /nfs/dbraw/zinc/15/43/84/1194154384.db2.gz MYAGYUYLVRQAEV-NXHRZFHOSA-N 2 0 381.565 0.636 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000420001822 1194155576 /nfs/dbraw/zinc/15/55/76/1194155576.db2.gz QKCBBBKEJJQIHQ-IAGOWNOFSA-N 2 0 379.549 0.119 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420038226 1194165425 /nfs/dbraw/zinc/16/54/25/1194165425.db2.gz IHDUMVGBKMAITE-UHFFFAOYSA-N 2 0 395.592 0.899 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040051 1194166179 /nfs/dbraw/zinc/16/61/79/1194166179.db2.gz KDAZXENCURKKOX-SFHVURJKSA-N 2 0 382.549 0.984 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420041919 1194167007 /nfs/dbraw/zinc/16/70/07/1194167007.db2.gz MXWQFHMDVNSEMJ-GOSISDBHSA-N 2 0 394.560 0.986 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000420046327 1194168286 /nfs/dbraw/zinc/16/82/86/1194168286.db2.gz BNCZYPOKIADHPA-QAPCUYQASA-N 2 0 379.549 0.247 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420053075 1194170301 /nfs/dbraw/zinc/17/03/01/1194170301.db2.gz GCLKJEZVDRLGBE-SOLBZPMBSA-N 2 0 379.549 0.247 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)CC1 ZINC000420067484 1194170691 /nfs/dbraw/zinc/17/06/91/1194170691.db2.gz YGHXQFWSACDKJE-GOSISDBHSA-N 2 0 393.576 0.496 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CCCC1 ZINC000420070061 1194171904 /nfs/dbraw/zinc/17/19/04/1194171904.db2.gz IXNPKVLDVUAEOH-GOSISDBHSA-N 2 0 380.533 0.724 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064863 1194176370 /nfs/dbraw/zinc/17/63/70/1194176370.db2.gz PAHGKZKIZHLCKP-FCGDIQPGSA-N 2 0 393.576 0.637 20 0 GCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420103414 1194178535 /nfs/dbraw/zinc/17/85/35/1194178535.db2.gz QZRLWSMIZJIHBI-YEWWUXTCSA-N 2 0 394.466 0.937 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC2)c1 ZINC000420104731 1194179055 /nfs/dbraw/zinc/17/90/55/1194179055.db2.gz RKFBDWYVGUVTHR-UHFFFAOYSA-N 2 0 395.463 0.658 20 0 GCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000420103735 1194179100 /nfs/dbraw/zinc/17/91/00/1194179100.db2.gz RQPLEIRKZHILNF-CKEIUWERSA-N 2 0 380.439 0.689 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420111443 1194181507 /nfs/dbraw/zinc/18/15/07/1194181507.db2.gz WUAURXQPYVYLRP-CBGDNZLLSA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)CC1 ZINC000420091068 1194182382 /nfs/dbraw/zinc/18/23/82/1194182382.db2.gz UQXJFHOBARZXTJ-IBGZPJMESA-N 2 0 393.576 0.637 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000420115512 1194185485 /nfs/dbraw/zinc/18/54/85/1194185485.db2.gz FMYTYCMYTJGLEL-KZNAEPCWSA-N 2 0 381.565 0.637 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000420133582 1194190423 /nfs/dbraw/zinc/19/04/23/1194190423.db2.gz TYPPGHIIWWSJKX-NVXWUHKLSA-N 2 0 376.501 0.842 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000420157141 1194190617 /nfs/dbraw/zinc/19/06/17/1194190617.db2.gz OJSQPVZVBZEGOG-GOSISDBHSA-N 2 0 389.544 0.377 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000420178478 1194195508 /nfs/dbraw/zinc/19/55/08/1194195508.db2.gz ANPRBZYSLNGTAO-SFHVURJKSA-N 2 0 392.500 0.080 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000501586427 1194196145 /nfs/dbraw/zinc/19/61/45/1194196145.db2.gz FMDVZPYAOMCLBV-HZPDHXFCSA-N 2 0 382.549 0.696 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420181997 1194197233 /nfs/dbraw/zinc/19/72/33/1194197233.db2.gz DWCLOLVFSUTUTG-KRWDZBQOSA-N 2 0 380.464 0.211 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000420182556 1194197322 /nfs/dbraw/zinc/19/73/22/1194197322.db2.gz FNGWDUHMRBVNNL-MSOLQXFVSA-N 2 0 380.533 0.596 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420184513 1194197777 /nfs/dbraw/zinc/19/77/77/1194197777.db2.gz NWRUTPZQKRCFNX-CALCHBBNSA-N 2 0 398.548 0.077 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501591332 1194198169 /nfs/dbraw/zinc/19/81/69/1194198169.db2.gz ULQLHUPJRUVUEY-QZTJIDSGSA-N 2 0 394.560 0.698 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000420169229 1194200262 /nfs/dbraw/zinc/20/02/62/1194200262.db2.gz LWJLBVCQJYWSJD-GOSISDBHSA-N 2 0 393.576 0.367 20 0 GCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420170529 1194200309 /nfs/dbraw/zinc/20/03/09/1194200309.db2.gz SDRNCZYCZYXQQS-MSOLQXFVSA-N 2 0 393.576 0.509 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420168954 1194200355 /nfs/dbraw/zinc/20/03/55/1194200355.db2.gz KWIOMCHCOSCDMI-IKGGRYGDSA-N 2 0 382.549 0.839 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420172107 1194200587 /nfs/dbraw/zinc/20/05/87/1194200587.db2.gz SYBAQWYLXPPYRY-CDXJDZJCSA-N 2 0 388.512 0.339 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420172654 1194200658 /nfs/dbraw/zinc/20/06/58/1194200658.db2.gz VXTOEKFIDIMKDF-QGZVFWFLSA-N 2 0 380.533 0.452 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000501601000 1194201781 /nfs/dbraw/zinc/20/17/81/1194201781.db2.gz UEHLAIRHNUCQML-QZTJIDSGSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000420205692 1194204720 /nfs/dbraw/zinc/20/47/20/1194204720.db2.gz NXOXRJADEXNUTC-QGZVFWFLSA-N 2 0 388.512 0.734 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1)CC(C)C ZINC000420205795 1194205547 /nfs/dbraw/zinc/20/55/47/1194205547.db2.gz SHCBFABJNNHXNV-SFHVURJKSA-N 2 0 382.549 0.698 20 0 GCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)C2)CC1 ZINC000420187113 1194205948 /nfs/dbraw/zinc/20/59/48/1194205948.db2.gz LSWIHVUQBQNAEM-ZWKOTPCHSA-N 2 0 380.533 0.452 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420194683 1194208173 /nfs/dbraw/zinc/20/81/73/1194208173.db2.gz SSRKROOSSWRZHR-HKUYNNGSSA-N 2 0 394.560 0.984 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000501632634 1194216129 /nfs/dbraw/zinc/21/61/29/1194216129.db2.gz AZCICXMIFALOTF-MJGOQNOKSA-N 2 0 392.544 0.690 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501635184 1194216133 /nfs/dbraw/zinc/21/61/33/1194216133.db2.gz FXVKYJPXPSMEOS-AEFFLSMTSA-N 2 0 380.533 0.546 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000501632636 1194216440 /nfs/dbraw/zinc/21/64/40/1194216440.db2.gz AZCICXMIFALOTF-PKOBYXMFSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000501647458 1194216459 /nfs/dbraw/zinc/21/64/59/1194216459.db2.gz WVQVPAXYYZEDBQ-VYDXJSESSA-N 2 0 378.517 0.345 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000501634510 1194216607 /nfs/dbraw/zinc/21/66/07/1194216607.db2.gz AOUKBRUBLYWBPA-IEBWSBKVSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000501639288 1194217259 /nfs/dbraw/zinc/21/72/59/1194217259.db2.gz NLVQURGCMYXNQB-ZWKOTPCHSA-N 2 0 394.560 0.984 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501641924 1194217711 /nfs/dbraw/zinc/21/77/11/1194217711.db2.gz SDNPRMAMCURTDX-VKJFTORMSA-N 2 0 378.517 0.202 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000501648642 1194219421 /nfs/dbraw/zinc/21/94/21/1194219421.db2.gz YOWFPGHLHJGSHO-ZWKOTPCHSA-N 2 0 392.544 0.548 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000501733396 1194224317 /nfs/dbraw/zinc/22/43/17/1194224317.db2.gz SHASIBNAYHFOCE-PKOBYXMFSA-N 2 0 390.528 0.708 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373866 1194225106 /nfs/dbraw/zinc/22/51/06/1194225106.db2.gz GYVLJCMXWBSWJC-MOPGFXCFSA-N 2 0 385.516 0.793 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000420446395 1194229697 /nfs/dbraw/zinc/22/96/97/1194229697.db2.gz BLEIRASWEMRTOX-UHFFFAOYSA-N 2 0 386.493 0.750 20 0 GCADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000501807515 1194230529 /nfs/dbraw/zinc/23/05/29/1194230529.db2.gz XWKUPEDIJHYVRI-SFHVURJKSA-N 2 0 382.549 0.781 20 0 GCADRP COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420463052 1194231996 /nfs/dbraw/zinc/23/19/96/1194231996.db2.gz WBAFMMGXQLFGGN-UHFFFAOYSA-N 2 0 384.502 0.732 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)[NH+](C)C)c1 ZINC000420849916 1194268900 /nfs/dbraw/zinc/26/89/00/1194268900.db2.gz UWJURLZLLMMMIL-WMZOPIPTSA-N 2 0 376.501 0.967 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)CC[NH+]3CCCC3)CC2)CC1 ZINC000422097397 1194383733 /nfs/dbraw/zinc/38/37/33/1194383733.db2.gz AZZWSMQEUNTWJA-UHFFFAOYSA-N 2 0 393.576 0.559 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000422113964 1194393025 /nfs/dbraw/zinc/39/30/25/1194393025.db2.gz IHRMZBKUUMVEDE-IBGZPJMESA-N 2 0 393.576 0.556 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000422132193 1194400841 /nfs/dbraw/zinc/40/08/41/1194400841.db2.gz HNQKMGWDWDDSOJ-SFHVURJKSA-N 2 0 380.533 0.500 20 0 GCADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983087225 1194420616 /nfs/dbraw/zinc/42/06/16/1194420616.db2.gz WJQVPUNVEAZEBT-BRSBDYLESA-N 2 0 392.544 0.402 20 0 GCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000273042097 1194532974 /nfs/dbraw/zinc/53/29/74/1194532974.db2.gz GIOGTPNMJZHLNB-YZGWKJHDSA-N 2 0 375.513 0.954 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000422262813 1194595104 /nfs/dbraw/zinc/59/51/04/1194595104.db2.gz AFBBYTLRNKUJDR-QGZVFWFLSA-N 2 0 391.560 0.358 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000422268691 1194596619 /nfs/dbraw/zinc/59/66/19/1194596619.db2.gz KHOVBTOQZRQZDW-KRWDZBQOSA-N 2 0 376.501 0.796 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000422320399 1194612788 /nfs/dbraw/zinc/61/27/88/1194612788.db2.gz VMYPDKAYQOXGDZ-MRXNPFEDSA-N 2 0 381.546 0.000 20 0 GCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422544476 1194665568 /nfs/dbraw/zinc/66/55/68/1194665568.db2.gz QLBZNBJFCHWAOS-BQFCYCMXSA-N 2 0 380.533 0.545 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@H](C)O1 ZINC000414677335 1194678071 /nfs/dbraw/zinc/67/80/71/1194678071.db2.gz IYUFYMLQRQCLMU-GJZGRUSLSA-N 2 0 390.484 0.723 20 0 GCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000503638476 1194702823 /nfs/dbraw/zinc/70/28/23/1194702823.db2.gz YXUFHQUKXDARBD-SJORKVTESA-N 2 0 377.485 0.867 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)CC[NH2+]CC1 ZINC000422993371 1194713600 /nfs/dbraw/zinc/71/36/00/1194713600.db2.gz SPZBZSLIYLRWKR-HUUCEWRRSA-N 2 0 377.489 0.745 20 0 GCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423014587 1194717976 /nfs/dbraw/zinc/71/79/76/1194717976.db2.gz IWAOEDQPUHIGBG-INIZCTEOSA-N 2 0 396.557 0.995 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414713243 1194720950 /nfs/dbraw/zinc/72/09/50/1194720950.db2.gz UEBCLOSSGKHONQ-UHFFFAOYSA-N 3 0 375.517 0.960 20 0 GCADRP CCN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423060849 1194722773 /nfs/dbraw/zinc/72/27/73/1194722773.db2.gz PJDDTZNRYOSYGG-OALUTQOASA-N 2 0 388.512 0.686 20 0 GCADRP CCN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423060851 1194723018 /nfs/dbraw/zinc/72/30/18/1194723018.db2.gz PJDDTZNRYOSYGG-RTBURBONSA-N 2 0 388.512 0.686 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000423059701 1194723071 /nfs/dbraw/zinc/72/30/71/1194723071.db2.gz MRGJWLHYZUVXCA-FGTMMUONSA-N 2 0 380.533 0.674 20 0 GCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000414714610 1194723093 /nfs/dbraw/zinc/72/30/93/1194723093.db2.gz LXXOJJKXJSHJCV-UHFFFAOYSA-N 2 0 387.528 0.975 20 0 GCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423089819 1194726826 /nfs/dbraw/zinc/72/68/26/1194726826.db2.gz WCLJTVJTDXKJSN-GOSISDBHSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423103640 1194729763 /nfs/dbraw/zinc/72/97/63/1194729763.db2.gz XRUONONMIHQQBU-WBVHZDCISA-N 2 0 376.476 0.784 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000414718359 1194730320 /nfs/dbraw/zinc/73/03/20/1194730320.db2.gz RLJWLVQAIHWVGP-UHFFFAOYSA-N 2 0 389.500 0.203 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000423159494 1194734084 /nfs/dbraw/zinc/73/40/84/1194734084.db2.gz YCICAXGBOMGTLE-OTWHNJEPSA-N 2 0 392.544 0.818 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000423210539 1194736903 /nfs/dbraw/zinc/73/69/03/1194736903.db2.gz WZWAPLOKIVMHGV-OAHLLOKOSA-N 2 0 382.455 0.923 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000423207896 1194737135 /nfs/dbraw/zinc/73/71/35/1194737135.db2.gz HJLNADAGVKQYOZ-ROUUACIJSA-N 2 0 393.576 0.461 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423199099 1194738588 /nfs/dbraw/zinc/73/85/88/1194738588.db2.gz ARJKIGCYLASYHM-HXUWFJFHSA-N 2 0 376.476 0.928 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423200296 1194738632 /nfs/dbraw/zinc/73/86/32/1194738632.db2.gz FJHPNSOBQABMIM-SJORKVTESA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423197708 1194738637 /nfs/dbraw/zinc/73/86/37/1194738637.db2.gz ASDMYDGXPOLYMZ-LJQANCHMSA-N 2 0 390.528 0.586 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000423202623 1194738859 /nfs/dbraw/zinc/73/88/59/1194738859.db2.gz BENLTFVHKCLTCY-XLAORIBOSA-N 2 0 379.549 0.199 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423201919 1194738879 /nfs/dbraw/zinc/73/88/79/1194738879.db2.gz JPXZRQLXAODYFF-GDBMZVCRSA-N 2 0 394.466 0.923 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423202624 1194738901 /nfs/dbraw/zinc/73/89/01/1194738901.db2.gz BENLTFVHKCLTCY-XWTMOSNGSA-N 2 0 379.549 0.199 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423199941 1194738916 /nfs/dbraw/zinc/73/89/16/1194738916.db2.gz CYTKSHHGEILYGS-AEFFLSMTSA-N 2 0 376.476 0.926 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423203031 1194739341 /nfs/dbraw/zinc/73/93/41/1194739341.db2.gz BTAZLBYDLGVIAZ-QZTJIDSGSA-N 2 0 380.533 0.404 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423202747 1194739369 /nfs/dbraw/zinc/73/93/69/1194739369.db2.gz LEMBAGSHBJVZDI-CALCHBBNSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000423202748 1194739466 /nfs/dbraw/zinc/73/94/66/1194739466.db2.gz LEMBAGSHBJVZDI-IAGOWNOFSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214540 1194740398 /nfs/dbraw/zinc/74/03/98/1194740398.db2.gz PCASWHUNRPNSIA-FHWLQOOXSA-N 2 0 393.576 0.461 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214497 1194740564 /nfs/dbraw/zinc/74/05/64/1194740564.db2.gz OYZODHGHPISHRB-OKZBNKHCSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423217716 1194740795 /nfs/dbraw/zinc/74/07/95/1194740795.db2.gz ULEQAAADBUUFEL-IRXDYDNUSA-N 2 0 379.549 0.201 20 0 GCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423247206 1194743366 /nfs/dbraw/zinc/74/33/66/1194743366.db2.gz QHKIMGQEOZFTMB-SFHVURJKSA-N 2 0 376.501 0.673 20 0 GCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423247205 1194743446 /nfs/dbraw/zinc/74/34/46/1194743446.db2.gz QHKIMGQEOZFTMB-GOSISDBHSA-N 2 0 376.501 0.673 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423260447 1194744363 /nfs/dbraw/zinc/74/43/63/1194744363.db2.gz HMGBCGLDNCVXTN-SFHVURJKSA-N 2 0 387.528 0.083 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423260446 1194744474 /nfs/dbraw/zinc/74/44/74/1194744474.db2.gz HMGBCGLDNCVXTN-GOSISDBHSA-N 2 0 387.528 0.083 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423266855 1194745308 /nfs/dbraw/zinc/74/53/08/1194745308.db2.gz SKRSHXWFWVPNIC-DLBZAZTESA-N 2 0 380.464 0.115 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423268579 1194745330 /nfs/dbraw/zinc/74/53/30/1194745330.db2.gz UUSQMFNWRRCMIC-ROUUACIJSA-N 2 0 382.549 0.651 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)CCO1 ZINC000414730184 1194745536 /nfs/dbraw/zinc/74/55/36/1194745536.db2.gz AESDPGBLUYXUFM-HNNXBMFYSA-N 2 0 386.496 0.983 20 0 GCADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423294392 1194747486 /nfs/dbraw/zinc/74/74/86/1194747486.db2.gz UJSVSPKIQAPAIN-QRQLOZEOSA-N 2 0 388.512 0.684 20 0 GCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423361038 1194751331 /nfs/dbraw/zinc/75/13/31/1194751331.db2.gz GMIAZLLCTSVYES-MRXNPFEDSA-N 2 0 393.557 0.144 20 0 GCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423368371 1194751811 /nfs/dbraw/zinc/75/18/11/1194751811.db2.gz NDXNLWHEIZNMKL-INIZCTEOSA-N 2 0 393.557 0.144 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423388073 1194752951 /nfs/dbraw/zinc/75/29/51/1194752951.db2.gz MPAKFZXQPYFVOC-OKZBNKHCSA-N 2 0 392.544 0.546 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000423376719 1194753615 /nfs/dbraw/zinc/75/36/15/1194753615.db2.gz BDKFDAAWFMOTRU-UONOGXRCSA-N 3 0 380.455 0.734 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000423452403 1194756429 /nfs/dbraw/zinc/75/64/29/1194756429.db2.gz WFGUNHWHBBYOAJ-RBUKOAKNSA-N 2 0 394.560 0.794 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000423432448 1194756737 /nfs/dbraw/zinc/75/67/37/1194756737.db2.gz OKKBUKHXXLTHOR-NZSAHSFTSA-N 2 0 392.544 0.676 20 0 GCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423431726 1194756850 /nfs/dbraw/zinc/75/68/50/1194756850.db2.gz ATPSYILMKITOEM-UWWQBHOKSA-N 2 0 376.476 0.879 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000423431688 1194756856 /nfs/dbraw/zinc/75/68/56/1194756856.db2.gz AQUNQWOHOJMUDS-KRWDZBQOSA-N 2 0 394.560 0.923 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423441615 1194757583 /nfs/dbraw/zinc/75/75/83/1194757583.db2.gz JBRXJWLCMANVHT-CALCHBBNSA-N 2 0 382.549 0.792 20 0 GCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423466985 1194758515 /nfs/dbraw/zinc/75/85/15/1194758515.db2.gz ABKXFHBFNBJYHQ-RBUKOAKNSA-N 2 0 388.512 0.543 20 0 GCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423469809 1194758522 /nfs/dbraw/zinc/75/85/22/1194758522.db2.gz KPPBFLHBHACBDR-CQSZACIVSA-N 2 0 396.454 0.685 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000423468522 1194758729 /nfs/dbraw/zinc/75/87/29/1194758729.db2.gz BIMJDGGGILVJFS-QGZVFWFLSA-N 2 0 376.501 0.796 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000423475199 1194758961 /nfs/dbraw/zinc/75/89/61/1194758961.db2.gz IPQKHOHZZOGGII-HZPDHXFCSA-N 2 0 376.501 0.794 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000423475189 1194759009 /nfs/dbraw/zinc/75/90/09/1194759009.db2.gz IOGNQFSISHYYEE-CRAIPNDOSA-N 2 0 376.501 0.781 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423453432 1194759221 /nfs/dbraw/zinc/75/92/21/1194759221.db2.gz XNBNDBAKRQOPND-MOPGFXCFSA-N 2 0 392.544 0.548 20 0 GCADRP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423453435 1194759231 /nfs/dbraw/zinc/75/92/31/1194759231.db2.gz XNBNDBAKRQOPND-RTBURBONSA-N 2 0 392.544 0.548 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423453611 1194759331 /nfs/dbraw/zinc/75/93/31/1194759331.db2.gz AYKTUAKKLARADB-MJGOQNOKSA-N 2 0 388.512 0.686 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423497987 1194759763 /nfs/dbraw/zinc/75/97/63/1194759763.db2.gz AUWRMCGUFMPEKK-BPQIPLTHSA-N 2 0 379.549 0.342 20 0 GCADRP C[C@H](NC[C@H]1C[NH2+]CCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517679 1194762189 /nfs/dbraw/zinc/76/21/89/1194762189.db2.gz OFQDXRKDUWVIHA-FUHWJXTLSA-N 2 0 397.589 0.471 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423517507 1194762201 /nfs/dbraw/zinc/76/22/01/1194762201.db2.gz HQQSPTULVBIAOM-KRWDZBQOSA-N 2 0 382.549 0.923 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423517509 1194762211 /nfs/dbraw/zinc/76/22/11/1194762211.db2.gz HQQSPTULVBIAOM-QGZVFWFLSA-N 2 0 382.549 0.923 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423518651 1194762412 /nfs/dbraw/zinc/76/24/12/1194762412.db2.gz ZOWZVQCUWFPZQY-ULQDDVLXSA-N 2 0 380.533 0.545 20 0 GCADRP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423527670 1194763265 /nfs/dbraw/zinc/76/32/65/1194763265.db2.gz MKODOAQPTODQIE-QRQLOZEOSA-N 2 0 393.576 0.732 20 0 GCADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423537313 1194764725 /nfs/dbraw/zinc/76/47/25/1194764725.db2.gz JTRJWVGGJRSVRM-HNNXBMFYSA-N 2 0 380.533 0.281 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423565357 1194767282 /nfs/dbraw/zinc/76/72/82/1194767282.db2.gz BFVLUWBTUVEHFZ-DLBZAZTESA-N 2 0 380.533 0.674 20 0 GCADRP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000423582796 1194770454 /nfs/dbraw/zinc/77/04/54/1194770454.db2.gz YFIGTKMRYAXSHK-XYJFISCASA-N 2 0 390.532 0.472 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423605984 1194772302 /nfs/dbraw/zinc/77/23/02/1194772302.db2.gz HWDCUYIWIWRABG-UHFFFAOYSA-N 2 0 387.528 0.085 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000423611736 1194773589 /nfs/dbraw/zinc/77/35/89/1194773589.db2.gz OJEOKOMFLIVZEJ-UHFFFAOYSA-N 2 0 387.528 0.085 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000423651309 1194779214 /nfs/dbraw/zinc/77/92/14/1194779214.db2.gz LSFJADORFQYSSY-WWMYMODYSA-N 2 0 388.512 0.291 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423658199 1194780516 /nfs/dbraw/zinc/78/05/16/1194780516.db2.gz XIXBIAHZRLMSCB-LHHMISFZSA-N 2 0 380.533 0.530 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(OCC[NH+](CC)CC)CC1)[C@H]1CC[NH2+]C1 ZINC000423659200 1194780584 /nfs/dbraw/zinc/78/05/84/1194780584.db2.gz HRPPBLRICCUBQD-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423658196 1194780714 /nfs/dbraw/zinc/78/07/14/1194780714.db2.gz XIXBIAHZRLMSCB-CBZIJGRNSA-N 2 0 380.533 0.530 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423668603 1194782249 /nfs/dbraw/zinc/78/22/49/1194782249.db2.gz KGPURIKNDULJGV-ZWKOTPCHSA-N 2 0 382.549 0.922 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423667544 1194782262 /nfs/dbraw/zinc/78/22/62/1194782262.db2.gz BFPKFKDYDHRMLL-UHFFFAOYSA-N 2 0 376.501 0.543 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423669187 1194782531 /nfs/dbraw/zinc/78/25/31/1194782531.db2.gz XRIPUEWQPWOPES-GUDVDZBRSA-N 2 0 393.576 0.604 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)C ZINC000423691447 1194782728 /nfs/dbraw/zinc/78/27/28/1194782728.db2.gz ZISGVHMKSJTZML-QGZVFWFLSA-N 2 0 397.564 0.410 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)C ZINC000423691440 1194782740 /nfs/dbraw/zinc/78/27/40/1194782740.db2.gz ZISGVHMKSJTZML-KRWDZBQOSA-N 2 0 397.564 0.410 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[C@H](C[NH3+])C1 ZINC000423671290 1194782751 /nfs/dbraw/zinc/78/27/51/1194782751.db2.gz NGDMYDFXIKQVAS-CEXWTWQISA-N 2 0 394.560 0.922 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423698696 1194783553 /nfs/dbraw/zinc/78/35/53/1194783553.db2.gz PNQJRWCTNKFKFJ-AEFFLSMTSA-N 2 0 380.533 0.818 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423673120 1194784226 /nfs/dbraw/zinc/78/42/26/1194784226.db2.gz FSNFWERKGVLUQM-SFHVURJKSA-N 2 0 387.528 0.083 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC2)c1 ZINC000423678482 1194785107 /nfs/dbraw/zinc/78/51/07/1194785107.db2.gz IXGJJFWUVIVZSM-UHFFFAOYSA-N 2 0 397.479 0.726 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423688765 1194786274 /nfs/dbraw/zinc/78/62/74/1194786274.db2.gz XDAWTVGMQSNGDE-KRWDZBQOSA-N 2 0 395.548 0.023 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000423716839 1194788025 /nfs/dbraw/zinc/78/80/25/1194788025.db2.gz JBOJBHMTXNBYHH-SFHVURJKSA-N 2 0 393.576 0.463 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000423717795 1194788232 /nfs/dbraw/zinc/78/82/32/1194788232.db2.gz KFUGCJPQYKJPCX-IBGZPJMESA-N 2 0 393.576 0.604 20 0 GCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423720575 1194788795 /nfs/dbraw/zinc/78/87/95/1194788795.db2.gz DGQQLXFRITXHFX-MJGOQNOKSA-N 2 0 385.512 0.967 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423722227 1194789024 /nfs/dbraw/zinc/78/90/24/1194789024.db2.gz PPDZMRBYSJCTQJ-AEFFLSMTSA-N 2 0 379.549 0.214 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)c1 ZINC000423741793 1194790771 /nfs/dbraw/zinc/79/07/71/1194790771.db2.gz TWNOTNXAXBZIBU-GOEBONIOSA-N 2 0 375.473 0.325 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423745193 1194791181 /nfs/dbraw/zinc/79/11/81/1194791181.db2.gz XCTCFLFBTLNBSB-AEFFLSMTSA-N 2 0 380.533 0.533 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423738918 1194792754 /nfs/dbraw/zinc/79/27/54/1194792754.db2.gz QTENAHNVFBACDR-BMFAXAFESA-N 2 0 394.560 0.920 20 0 GCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000504566626 1194798763 /nfs/dbraw/zinc/79/87/63/1194798763.db2.gz UZCKCRFHFLAWDZ-SFHVURJKSA-N 2 0 391.516 0.194 20 0 GCADRP COCCN1C[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000424016731 1194799387 /nfs/dbraw/zinc/79/93/87/1194799387.db2.gz DOUDDMRNPHVKNF-SFHVURJKSA-N 2 0 388.512 0.591 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000504614836 1194800546 /nfs/dbraw/zinc/80/05/46/1194800546.db2.gz PRPBNPNZRRRWBT-MRXNPFEDSA-N 2 0 393.536 0.817 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000424440598 1194811303 /nfs/dbraw/zinc/81/13/03/1194811303.db2.gz RAFMSCHGECMPTJ-SFHVURJKSA-N 2 0 375.517 0.780 20 0 GCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424442308 1194811694 /nfs/dbraw/zinc/81/16/94/1194811694.db2.gz BVKKSZUCZYWJCS-DLBZAZTESA-N 2 0 384.484 0.682 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000424444164 1194812071 /nfs/dbraw/zinc/81/20/71/1194812071.db2.gz CMOYVBBSGGETPV-UHFFFAOYSA-N 2 0 387.484 0.159 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000424465403 1194813655 /nfs/dbraw/zinc/81/36/55/1194813655.db2.gz RSGMWFZVLUHZGW-QXCFHYIPSA-N 2 0 392.548 0.993 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)CC[NH2+]CC2 ZINC000424492780 1194816980 /nfs/dbraw/zinc/81/69/80/1194816980.db2.gz IXZBHBQZTFTITN-KRWDZBQOSA-N 2 0 394.560 0.936 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCO1 ZINC000424494847 1194817354 /nfs/dbraw/zinc/81/73/54/1194817354.db2.gz OLNNWYKTMHPOBG-IPMKNSEASA-N 2 0 386.496 0.296 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)CC[NH2+]CC2 ZINC000424497300 1194818196 /nfs/dbraw/zinc/81/81/96/1194818196.db2.gz WSSSXRXQTQYOMK-INIZCTEOSA-N 2 0 380.533 0.282 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424497509 1194818264 /nfs/dbraw/zinc/81/82/64/1194818264.db2.gz XMNDZDODEVEKQJ-ROUUACIJSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)CC[NH2+]CC2 ZINC000424497302 1194818272 /nfs/dbraw/zinc/81/82/72/1194818272.db2.gz WSSSXRXQTQYOMK-MRXNPFEDSA-N 2 0 380.533 0.282 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H](c3cccs3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424506768 1194818691 /nfs/dbraw/zinc/81/86/91/1194818691.db2.gz MJTYDXGKKHVDGK-RRFJBIMHSA-N 2 0 390.513 0.154 20 0 GCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000424504215 1194818983 /nfs/dbraw/zinc/81/89/83/1194818983.db2.gz JDJZRGMDZXBFBD-IPMKNSEASA-N 2 0 398.511 0.401 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424525731 1194822120 /nfs/dbraw/zinc/82/21/20/1194822120.db2.gz RCQZYXHIPDAFQA-BPQIPLTHSA-N 2 0 390.532 0.444 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N1CC[NH+](C)CC1 ZINC000424558482 1194824867 /nfs/dbraw/zinc/82/48/67/1194824867.db2.gz WRHYYCOWCMOWRH-MSOLQXFVSA-N 2 0 393.576 0.365 20 0 GCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000414800693 1194825574 /nfs/dbraw/zinc/82/55/74/1194825574.db2.gz IEBYTBRDALSTBE-UHFFFAOYSA-N 2 0 387.484 0.111 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000414803440 1194826694 /nfs/dbraw/zinc/82/66/94/1194826694.db2.gz CRIRNKKXOCWDGF-UHFFFAOYSA-N 2 0 389.500 0.357 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652730095 1194830575 /nfs/dbraw/zinc/83/05/75/1194830575.db2.gz IQNWWVMZSUWNJL-OKZBNKHCSA-N 2 0 392.544 0.818 20 0 GCADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000414842429 1194839832 /nfs/dbraw/zinc/83/98/32/1194839832.db2.gz BFUMYLKRCKNAIQ-KRWDZBQOSA-N 2 0 376.501 0.944 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000414848295 1194855201 /nfs/dbraw/zinc/85/52/01/1194855201.db2.gz GKJYMMHNNSSLSU-OAHLLOKOSA-N 2 0 392.475 0.619 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)[C@@H]2C1 ZINC000652730830 1194865458 /nfs/dbraw/zinc/86/54/58/1194865458.db2.gz QZZAUOMRVWLFAM-ICUGJSFKSA-N 2 0 378.517 0.284 20 0 GCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000514622944 1194889047 /nfs/dbraw/zinc/88/90/47/1194889047.db2.gz ZJAHYORHPYMAFO-WMZOPIPTSA-N 2 0 394.560 0.671 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000514791541 1194909509 /nfs/dbraw/zinc/90/95/09/1194909509.db2.gz SBUYIBKQLVDQBE-PKOBYXMFSA-N 2 0 394.560 0.935 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435377350 1194926929 /nfs/dbraw/zinc/92/69/29/1194926929.db2.gz APBNBAVCEVGKHI-SFHVURJKSA-N 2 0 388.512 0.879 20 0 GCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000638108948 1194937048 /nfs/dbraw/zinc/93/70/48/1194937048.db2.gz PGALRZLPHONCCE-RXVVDRJESA-N 2 0 388.512 0.895 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000515049811 1194941710 /nfs/dbraw/zinc/94/17/10/1194941710.db2.gz UBMJJXQQKZTDGL-IBGZPJMESA-N 2 0 387.528 0.525 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)N1CCOCC1 ZINC000515374381 1194970018 /nfs/dbraw/zinc/97/00/18/1194970018.db2.gz PZDPTXGMXKNJGG-QGZVFWFLSA-N 2 0 382.549 0.840 20 0 GCADRP CN1C(=O)CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000425435772 1194977694 /nfs/dbraw/zinc/97/76/94/1194977694.db2.gz ULTCMTNIDZNFGT-MRXNPFEDSA-N 2 0 388.472 0.040 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000515523258 1194982394 /nfs/dbraw/zinc/98/23/94/1194982394.db2.gz MQBCRKNDRVUHED-IAGOWNOFSA-N 2 0 379.549 0.864 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000515523256 1194982567 /nfs/dbraw/zinc/98/25/67/1194982567.db2.gz MQBCRKNDRVUHED-DLBZAZTESA-N 2 0 379.549 0.864 20 0 GCADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000414878278 1194985431 /nfs/dbraw/zinc/98/54/31/1194985431.db2.gz ZADSHEKQADGHQS-NRFANRHFSA-N 2 0 382.464 0.837 20 0 GCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000436261523 1194994181 /nfs/dbraw/zinc/99/41/81/1194994181.db2.gz PCBLGQJBEVXXBM-CVEARBPZSA-N 2 0 383.537 0.060 20 0 GCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000515846080 1195001588 /nfs/dbraw/zinc/00/15/88/1195001588.db2.gz BRNNOHIBJFPRCI-GJZGRUSLSA-N 2 0 380.514 0.902 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425659652 1195053095 /nfs/dbraw/zinc/05/30/95/1195053095.db2.gz IPOLMYBFVDFQBV-MRXNPFEDSA-N 2 0 384.488 0.911 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000516558913 1195067064 /nfs/dbraw/zinc/06/70/64/1195067064.db2.gz FZNHRUXBPANXLQ-SOLBZPMBSA-N 2 0 380.533 0.687 20 0 GCADRP CN(C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccco1 ZINC000288730155 1195071435 /nfs/dbraw/zinc/07/14/35/1195071435.db2.gz ZWOVWTULRMGRAV-GVDBMIGSSA-N 2 0 392.500 0.493 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000516635798 1195077651 /nfs/dbraw/zinc/07/76/51/1195077651.db2.gz MUTLKXWOFPJRQJ-IRXDYDNUSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000516635797 1195077913 /nfs/dbraw/zinc/07/79/13/1195077913.db2.gz MUTLKXWOFPJRQJ-IAGOWNOFSA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000549988420 1195087580 /nfs/dbraw/zinc/08/75/80/1195087580.db2.gz QJMIACHPQXCUNB-UHFFFAOYSA-N 2 0 382.549 0.981 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000516750705 1195090260 /nfs/dbraw/zinc/09/02/60/1195090260.db2.gz FZRWOQFZCOAYFZ-RBUKOAKNSA-N 2 0 389.544 0.361 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000516835730 1195102236 /nfs/dbraw/zinc/10/22/36/1195102236.db2.gz MMMHZLUFJAMWOH-SFHVURJKSA-N 2 0 381.565 0.909 20 0 GCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000425820307 1195122834 /nfs/dbraw/zinc/12/28/34/1195122834.db2.gz NRZIWJUGTBDGAR-AZUAARDMSA-N 2 0 399.539 0.925 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000517045087 1195129807 /nfs/dbraw/zinc/12/98/07/1195129807.db2.gz NXOHUULZCOHGBC-RTBURBONSA-N 2 0 395.592 0.755 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000517198476 1195150499 /nfs/dbraw/zinc/15/04/99/1195150499.db2.gz FCTYYBQADXSSLT-ROUUACIJSA-N 2 0 380.533 0.329 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000517198477 1195150692 /nfs/dbraw/zinc/15/06/92/1195150692.db2.gz FCTYYBQADXSSLT-ZWKOTPCHSA-N 2 0 380.533 0.329 20 0 GCADRP COC[C@@]1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCC[NH2+]1 ZINC000638441245 1195153745 /nfs/dbraw/zinc/15/37/45/1195153745.db2.gz TXCJQAZKZNRNEX-OXQOHEQNSA-N 2 0 390.532 0.684 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000517254053 1195164974 /nfs/dbraw/zinc/16/49/74/1195164974.db2.gz WFCRMYHGVARIJC-MRXNPFEDSA-N 2 0 382.549 0.935 20 0 GCADRP COC(=O)C1CC[NH+](CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000517375465 1195176803 /nfs/dbraw/zinc/17/68/03/1195176803.db2.gz PSCNYHALVRJMMF-UHFFFAOYSA-N 2 0 377.489 0.353 20 0 GCADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@H]1C ZINC000517526000 1195188743 /nfs/dbraw/zinc/18/87/43/1195188743.db2.gz CXBYRRFLIYISMG-IAGOWNOFSA-N 2 0 380.533 0.377 20 0 GCADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000517720991 1195209844 /nfs/dbraw/zinc/20/98/44/1195209844.db2.gz DCKOXVZRJSJQMV-IBGZPJMESA-N 2 0 390.528 0.898 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000518200243 1195266619 /nfs/dbraw/zinc/26/66/19/1195266619.db2.gz JHZQZHMCGYYSJX-ROUUACIJSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@@H]1COCCN1CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385644 1195320198 /nfs/dbraw/zinc/32/01/98/1195320198.db2.gz PRKCHYDIJAVQPF-RLLQIKCJSA-N 2 0 390.528 0.889 20 0 GCADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000297207588 1195331249 /nfs/dbraw/zinc/33/12/49/1195331249.db2.gz DVTARSYAPKZDHK-LJQANCHMSA-N 2 0 376.501 0.427 20 0 GCADRP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)C(=O)N1CCOCC1 ZINC000439651355 1195339579 /nfs/dbraw/zinc/33/95/79/1195339579.db2.gz ZYWFFJGLZKEYKN-ROUUACIJSA-N 2 0 397.564 0.681 20 0 GCADRP COCC[C@@]1([NH2+]CC(=O)NCC2(N3CCOCC3)CCCCC2)CCOC1 ZINC000518895955 1195342925 /nfs/dbraw/zinc/34/29/25/1195342925.db2.gz KIUNVFYXYPYDQT-LJQANCHMSA-N 2 0 383.533 0.923 20 0 GCADRP COCC[C@]1([NH2+]CC(=O)NCC2(N3CCOCC3)CCCCC2)CCOC1 ZINC000518895954 1195343240 /nfs/dbraw/zinc/34/32/40/1195343240.db2.gz KIUNVFYXYPYDQT-IBGZPJMESA-N 2 0 383.533 0.923 20 0 GCADRP CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)[C@@H](C)CO1 ZINC000653385638 1195351923 /nfs/dbraw/zinc/35/19/23/1195351923.db2.gz BMPHDUOFGTUEDI-YJBOKZPZSA-N 2 0 380.533 0.687 20 0 GCADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000519142909 1195372677 /nfs/dbraw/zinc/37/26/77/1195372677.db2.gz CQMZUFKYOBSOLX-QGZVFWFLSA-N 2 0 379.501 0.829 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)[NH+](C)C)c1 ZINC000550029558 1195408271 /nfs/dbraw/zinc/40/82/71/1195408271.db2.gz RFWMZZRDYVQELJ-CRAIPNDOSA-N 2 0 376.501 0.967 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000506823310 1195410506 /nfs/dbraw/zinc/41/05/06/1195410506.db2.gz RZFDGOONMSISKV-UHFFFAOYSA-N 2 0 383.537 0.339 20 0 GCADRP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@@H](C(=O)NC[C@H]3CC[N@@H+](CC)C3)O2)C1 ZINC000426648114 1195412900 /nfs/dbraw/zinc/41/29/00/1195412900.db2.gz RMKBTOMRDBFANR-MHORFTMASA-N 2 0 380.533 0.450 20 0 GCADRP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)NC[C@H]3CC[N@@H+](CC)C3)O2)C1 ZINC000426648115 1195413020 /nfs/dbraw/zinc/41/30/20/1195413020.db2.gz RMKBTOMRDBFANR-TVFCKZIOSA-N 2 0 380.533 0.450 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000550035651 1195419143 /nfs/dbraw/zinc/41/91/43/1195419143.db2.gz VKDVZFNREPRKSY-CALCHBBNSA-N 2 0 394.560 0.935 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000550095326 1195435458 /nfs/dbraw/zinc/43/54/58/1195435458.db2.gz HMQWZXGFRRNCHW-MSOLQXFVSA-N 2 0 382.549 0.698 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000550096139 1195435599 /nfs/dbraw/zinc/43/55/99/1195435599.db2.gz VCDWZOFZLYGICB-IAGOWNOFSA-N 2 0 377.489 0.347 20 0 GCADRP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CCC(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000262042692 1195441825 /nfs/dbraw/zinc/44/18/25/1195441825.db2.gz HTYXIPDIIDMRDO-GOSISDBHSA-N 2 0 390.484 0.563 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)CC1=O ZINC000426885961 1195489303 /nfs/dbraw/zinc/48/93/03/1195489303.db2.gz HHSZGPAVBHDVEP-RDJZCZTQSA-N 2 0 392.500 0.337 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426918126 1195492166 /nfs/dbraw/zinc/49/21/66/1195492166.db2.gz ITQOAOAJXPMDGO-UHFFFAOYSA-N 2 0 376.505 1.031 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)c(OCC[NH+](C)C)c1 ZINC000427018081 1195501478 /nfs/dbraw/zinc/50/14/78/1195501478.db2.gz WSOJLTGLSSIBCG-INIZCTEOSA-N 2 0 392.500 0.399 20 0 GCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507408103 1195517614 /nfs/dbraw/zinc/51/76/14/1195517614.db2.gz YFLQNLBWQCBFDU-LLVKDONJSA-N 2 0 395.426 0.153 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427298147 1195524856 /nfs/dbraw/zinc/52/48/56/1195524856.db2.gz ZWCSXQDGPQZFDU-INIZCTEOSA-N 2 0 390.532 1.469 20 0 GCADRP CCO[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000427465062 1195543072 /nfs/dbraw/zinc/54/30/72/1195543072.db2.gz GFOIDIVEEOWEOL-LDLYASANSA-N 2 0 392.544 0.878 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550299788 1195553538 /nfs/dbraw/zinc/55/35/38/1195553538.db2.gz PEXVKHDMFPMAGG-IAGOWNOFSA-N 2 0 382.549 0.839 20 0 GCADRP CN1CCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633203 1195559908 /nfs/dbraw/zinc/55/99/08/1195559908.db2.gz VQEISMHXCLESOE-WOJBJXKFSA-N 2 0 388.560 0.650 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1)CC1CC1 ZINC000519698834 1195563727 /nfs/dbraw/zinc/56/37/27/1195563727.db2.gz LPGNAFRWNGCOAH-LJQANCHMSA-N 2 0 393.576 0.448 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000519704555 1195564089 /nfs/dbraw/zinc/56/40/89/1195564089.db2.gz DXMRXOHGCRNAKT-IAGOWNOFSA-N 2 0 380.533 0.452 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000519755532 1195569305 /nfs/dbraw/zinc/56/93/05/1195569305.db2.gz VXMYIYVGSYOFEE-CVEARBPZSA-N 2 0 380.558 0.532 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550312153 1195570380 /nfs/dbraw/zinc/57/03/80/1195570380.db2.gz OEQCFTUZJIQFMB-IAGOWNOFSA-N 2 0 382.549 0.792 20 0 GCADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000519828630 1195574060 /nfs/dbraw/zinc/57/40/60/1195574060.db2.gz QXSLBPPPDFZSNF-GOSISDBHSA-N 2 0 382.549 0.840 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441018363 1195597312 /nfs/dbraw/zinc/59/73/12/1195597312.db2.gz FZAKEISVLCQANW-QGZVFWFLSA-N 2 0 396.580 0.254 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000441054813 1195600579 /nfs/dbraw/zinc/60/05/79/1195600579.db2.gz YEUYIAPMLQHEIH-UHFFFAOYSA-N 2 0 392.548 0.847 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000550352616 1195640642 /nfs/dbraw/zinc/64/06/42/1195640642.db2.gz IAUIVRWNBZYTDS-MOPGFXCFSA-N 2 0 390.528 0.975 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000550362409 1195644203 /nfs/dbraw/zinc/64/42/03/1195644203.db2.gz NZJODYWFLBYRFT-HKUYNNGSSA-N 2 0 393.576 0.460 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550372208 1195646234 /nfs/dbraw/zinc/64/62/34/1195646234.db2.gz OUGJOHZLEAHWLR-KRWDZBQOSA-N 2 0 381.565 0.365 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000550373177 1195646421 /nfs/dbraw/zinc/64/64/21/1195646421.db2.gz ZQZUEHUMJICYIE-MOPGFXCFSA-N 2 0 394.560 0.860 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000550380886 1195648519 /nfs/dbraw/zinc/64/85/19/1195648519.db2.gz CDMIIBSMKVZUBN-SFHVURJKSA-N 2 0 395.592 0.707 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)N1CC[NH+](C)CC1 ZINC000550380894 1195648763 /nfs/dbraw/zinc/64/87/63/1195648763.db2.gz CEWVOGDGTTWDOW-OALUTQOASA-N 2 0 395.592 0.613 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N1CC[NH+](C)CC1 ZINC000550380842 1195648769 /nfs/dbraw/zinc/64/87/69/1195648769.db2.gz BCISTMWMUYWCLI-RBUKOAKNSA-N 2 0 395.592 0.611 20 0 GCADRP C[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)(N2CCOCC2)CC1 ZINC000334117230 1195693500 /nfs/dbraw/zinc/69/35/00/1195693500.db2.gz IDTKTTMRBNXSGR-GOSISDBHSA-N 2 0 379.549 0.663 20 0 GCADRP CC[C@@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000458982098 1195743292 /nfs/dbraw/zinc/74/32/92/1195743292.db2.gz PQCPEUNWBGKVGZ-JKSUJKDBSA-N 2 0 391.582 0.372 20 0 GCADRP CC[C@H](C)[NH+]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000334136382 1195745210 /nfs/dbraw/zinc/74/52/10/1195745210.db2.gz YTHDKHPYUZREKZ-SFHVURJKSA-N 2 0 381.565 0.909 20 0 GCADRP C[C@H]1[NH2+]CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H]1C ZINC000417519669 1195767840 /nfs/dbraw/zinc/76/78/40/1195767840.db2.gz VNUWNDVEBHUNPN-IAGOWNOFSA-N 2 0 375.521 0.771 20 0 GCADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000520773689 1195852687 /nfs/dbraw/zinc/85/26/87/1195852687.db2.gz WMOWEDPGQDZMTE-SFHVURJKSA-N 2 0 375.517 0.244 20 0 GCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)O1 ZINC000427821116 1195881683 /nfs/dbraw/zinc/88/16/83/1195881683.db2.gz AQEHVPSIJCEHJZ-HDICACEKSA-N 2 0 380.533 0.639 20 0 GCADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@H+](C)[C@H]3C)O2)CCC[NH+]1C ZINC000427898323 1195890744 /nfs/dbraw/zinc/89/07/44/1195890744.db2.gz AIFALPJLVKMJNA-NWCWSAAOSA-N 2 0 380.533 0.732 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)Cn3nc4ccccn4c3=O)CC2)CC1 ZINC000520792097 1195902292 /nfs/dbraw/zinc/90/22/92/1195902292.db2.gz HRSBLGUQXHSBFQ-UHFFFAOYSA-N 2 0 386.500 0.515 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000442005666 1195941589 /nfs/dbraw/zinc/94/15/89/1195941589.db2.gz XWCYXYZSDORCKH-MRXNPFEDSA-N 2 0 378.473 0.402 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000442167144 1195959416 /nfs/dbraw/zinc/95/94/16/1195959416.db2.gz XSQCHJABIWOGPX-QFBILLFUSA-N 2 0 387.528 0.971 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000550457390 1195968087 /nfs/dbraw/zinc/96/80/87/1195968087.db2.gz QWKOVSQPNOGXHZ-FCGDIQPGSA-N 2 0 396.576 0.942 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000521233330 1195980948 /nfs/dbraw/zinc/98/09/48/1195980948.db2.gz FVBAYFLFUOSQRH-GOSISDBHSA-N 2 0 382.549 0.936 20 0 GCADRP CC(C)[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000442366090 1195981284 /nfs/dbraw/zinc/98/12/84/1195981284.db2.gz AIHRBCHEQHAIOA-SFHVURJKSA-N 2 0 382.597 0.584 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NC4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001075810750 1195994452 /nfs/dbraw/zinc/99/44/52/1195994452.db2.gz VQBWHKFRXHLRAQ-CYGHRXIMSA-N 2 0 378.517 0.155 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)NC(C)(C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001075810718 1195995309 /nfs/dbraw/zinc/99/53/09/1195995309.db2.gz TUSGNKDAZLPPGM-QKPAOTATSA-N 2 0 391.516 0.190 20 0 GCADRP CC(C)([NH3+])c1noc(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)n1 ZINC000521432172 1195996121 /nfs/dbraw/zinc/99/61/21/1195996121.db2.gz QNOMBRHQIVYTQL-IBGZPJMESA-N 2 0 384.440 0.960 20 0 GCADRP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061649 1196017531 /nfs/dbraw/zinc/01/75/31/1196017531.db2.gz RWZLDYLCRYJABO-ZNMIVQPWSA-N 2 0 382.530 0.961 20 0 GCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000521926228 1196026127 /nfs/dbraw/zinc/02/61/27/1196026127.db2.gz DIANLMRXGFRWSL-SFHVURJKSA-N 2 0 381.565 0.223 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001075813684 1196048811 /nfs/dbraw/zinc/04/88/11/1196048811.db2.gz UIRRQGJQASPBCU-MWDXBVQZSA-N 2 0 391.516 0.191 20 0 GCADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000550480154 1196052120 /nfs/dbraw/zinc/05/21/20/1196052120.db2.gz JQLNTYFANTWRBH-UHFFFAOYSA-N 2 0 390.528 0.670 20 0 GCADRP CC(C)C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)N1CCOCC1 ZINC000550489929 1196055688 /nfs/dbraw/zinc/05/56/88/1196055688.db2.gz SNJRIBWRTVZCDC-GOSISDBHSA-N 2 0 382.549 0.842 20 0 GCADRP C[C@@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000443516403 1196064114 /nfs/dbraw/zinc/06/41/14/1196064114.db2.gz MUZIGNQIBVURAB-IAGOWNOFSA-N 2 0 382.549 0.792 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000550518527 1196071558 /nfs/dbraw/zinc/07/15/58/1196071558.db2.gz DYFSUPLMOBEEFX-AEFFLSMTSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550519416 1196072060 /nfs/dbraw/zinc/07/20/60/1196072060.db2.gz OETHZFNCFJIBGB-GOSISDBHSA-N 2 0 395.592 0.757 20 0 GCADRP CC(C)N(CCOCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487437596 1196085711 /nfs/dbraw/zinc/08/57/11/1196085711.db2.gz YFXYTWWDBHGEHS-YDZRNGNQSA-N 2 0 396.576 0.752 20 0 GCADRP O=C1[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)CCN1c1ccccc1F ZINC000114501913 1196101222 /nfs/dbraw/zinc/10/12/22/1196101222.db2.gz FVXRIGDDIPLMBX-GOSISDBHSA-N 2 0 378.492 0.911 20 0 GCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474314376 1196108732 /nfs/dbraw/zinc/10/87/32/1196108732.db2.gz SRBDUZOSHNLIOC-XOKHGSTOSA-N 2 0 380.439 0.785 20 0 GCADRP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[NH+](C)[C@H]3C)nc(N3CCOCC3)n2)CC[N@@H+]1C ZINC000895737474 1196111096 /nfs/dbraw/zinc/11/10/96/1196111096.db2.gz WDOLNDKJBKZWRD-GEEKYZPCSA-N 2 0 390.536 0.717 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000895828958 1196114636 /nfs/dbraw/zinc/11/46/36/1196114636.db2.gz LXMHHDHEOXQUQR-GOSISDBHSA-N 2 0 394.560 0.650 20 0 GCADRP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000895890052 1196116624 /nfs/dbraw/zinc/11/66/24/1196116624.db2.gz BUQZBMFEDHCNKZ-LJQANCHMSA-N 2 0 389.544 0.559 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2C[NH+](C3CCOCC3)C2)cc1 ZINC000896210035 1196133570 /nfs/dbraw/zinc/13/35/70/1196133570.db2.gz IAIIDAAPBXTZSV-UHFFFAOYSA-N 2 0 388.512 0.705 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)O2)CC[NH+]1C ZINC000332991519 1196146984 /nfs/dbraw/zinc/14/69/84/1196146984.db2.gz BXCZVHUEALGEKE-BLONOQDTSA-N 2 0 380.533 0.732 20 0 GCADRP O=C(CC(O)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000329214855 1196177229 /nfs/dbraw/zinc/17/72/29/1196177229.db2.gz LULJQZXXMTZQPG-QZTJIDSGSA-N 2 0 392.544 0.521 20 0 GCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@@H](C)C1 ZINC000665460577 1196183876 /nfs/dbraw/zinc/18/38/76/1196183876.db2.gz OSOQZUFPEATFMO-DLBZAZTESA-N 2 0 382.549 0.974 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896876910 1196230854 /nfs/dbraw/zinc/23/08/54/1196230854.db2.gz DKMGLBKRYUIFGW-QGZVFWFLSA-N 2 0 380.533 0.450 20 0 GCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000444272348 1196370163 /nfs/dbraw/zinc/37/01/63/1196370163.db2.gz VXHOMAUTMGYCJJ-KBXCAEBGSA-N 2 0 380.493 0.032 20 0 GCADRP COc1ccc(N2C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cc1 ZINC000103210867 1196374776 /nfs/dbraw/zinc/37/47/76/1196374776.db2.gz HENIONVBFPJDPG-MRXNPFEDSA-N 2 0 376.501 1.000 20 0 GCADRP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104190732 1196381214 /nfs/dbraw/zinc/38/12/14/1196381214.db2.gz BNBMPEVMLCXKRO-UHFFFAOYSA-N 2 0 376.505 0.373 20 0 GCADRP CCN(CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000665594325 1196384690 /nfs/dbraw/zinc/38/46/90/1196384690.db2.gz YEYYSYBQABDWRD-ZWKOTPCHSA-N 2 0 382.549 0.936 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000129733263 1196406731 /nfs/dbraw/zinc/40/67/31/1196406731.db2.gz NAXPDYCRCFZGPK-CQSZACIVSA-N 2 0 385.534 0.161 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000665759186 1196460940 /nfs/dbraw/zinc/46/09/40/1196460940.db2.gz RQFVBJYXWDOFMC-GOSISDBHSA-N 2 0 381.565 0.955 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367146995 1196494467 /nfs/dbraw/zinc/49/44/67/1196494467.db2.gz DPYQJCCPUBFOIM-OAQYLSRUSA-N 2 0 385.556 0.700 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446265264 1196630876 /nfs/dbraw/zinc/63/08/76/1196630876.db2.gz DCRMQZGBOAWJIP-QEEYODRMSA-N 2 0 399.499 0.544 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000524905269 1196636056 /nfs/dbraw/zinc/63/60/56/1196636056.db2.gz CNAFJCZPRJRNQX-UHFFFAOYSA-N 2 0 390.576 0.943 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000524913008 1196637918 /nfs/dbraw/zinc/63/79/18/1196637918.db2.gz XYTWTQGQVZFPAV-UHFFFAOYSA-N 2 0 378.473 0.138 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000524921885 1196638484 /nfs/dbraw/zinc/63/84/84/1196638484.db2.gz OVFJMUWHNOZSJZ-UHFFFAOYSA-N 2 0 397.564 0.417 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000446371165 1196638546 /nfs/dbraw/zinc/63/85/46/1196638546.db2.gz OJUHBNURKLEPBU-ZSZQSSIHSA-N 2 0 392.504 0.032 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000446371164 1196638620 /nfs/dbraw/zinc/63/86/20/1196638620.db2.gz OJUHBNURKLEPBU-URLQWDBASA-N 2 0 392.504 0.032 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446368043 1196638629 /nfs/dbraw/zinc/63/86/29/1196638629.db2.gz BWWUUIDKTBWFNT-WRWLIDTKSA-N 2 0 380.533 0.578 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512952 1196687390 /nfs/dbraw/zinc/68/73/90/1196687390.db2.gz RJQOGTVIIIGFRC-QUCCMNQESA-N 2 0 375.517 0.168 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512953 1196687648 /nfs/dbraw/zinc/68/76/48/1196687648.db2.gz RJQOGTVIIIGFRC-UYAOXDASSA-N 2 0 375.517 0.168 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000525684499 1196699759 /nfs/dbraw/zinc/69/97/59/1196699759.db2.gz UFDAKFOXFMEOBD-KZNAEPCWSA-N 2 0 379.549 0.199 20 0 GCADRP C[C@H](CC[NH+](C)C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000525698409 1196701669 /nfs/dbraw/zinc/70/16/69/1196701669.db2.gz KFOKDBQAECUVAN-UONOGXRCSA-N 2 0 387.550 0.703 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000526086193 1196739641 /nfs/dbraw/zinc/73/96/41/1196739641.db2.gz RSMBCQCDLMVYLK-UHFFFAOYSA-N 2 0 378.521 0.962 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000526131660 1196744041 /nfs/dbraw/zinc/74/40/41/1196744041.db2.gz QADQDIMMHWBKSK-SFHVURJKSA-N 2 0 392.500 0.745 20 0 GCADRP COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526131745 1196744158 /nfs/dbraw/zinc/74/41/58/1196744158.db2.gz CBJHDQWFNRJYOW-UHFFFAOYSA-N 2 0 393.488 0.544 20 0 GCADRP CC(=O)Nc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C ZINC000526132235 1196744271 /nfs/dbraw/zinc/74/42/71/1196744271.db2.gz UUBHGMGTZVHVKR-UHFFFAOYSA-N 2 0 377.489 0.844 20 0 GCADRP CNC(=O)C[N@H+](CCOC)CC1(c2ccccc2)CC[NH+](CC(=O)NC)CC1 ZINC000428495403 1196770517 /nfs/dbraw/zinc/77/05/17/1196770517.db2.gz CVSYUOOLFWIQQW-UHFFFAOYSA-N 2 0 390.528 0.461 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000527373744 1196783987 /nfs/dbraw/zinc/78/39/87/1196783987.db2.gz DJIAMJJMXRRTKA-MRXNPFEDSA-N 2 0 392.500 0.745 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000527374250 1196784358 /nfs/dbraw/zinc/78/43/58/1196784358.db2.gz RKDCNQXXPXHXNT-UHFFFAOYSA-N 2 0 390.463 0.902 20 0 GCADRP COC(=O)c1c(C)cccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527374230 1196784380 /nfs/dbraw/zinc/78/43/80/1196784380.db2.gz KMHSZPLPTOELTL-UHFFFAOYSA-N 2 0 378.473 0.672 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@H](C)C1 ZINC000448519524 1196809125 /nfs/dbraw/zinc/80/91/25/1196809125.db2.gz DWNRGEBOOWIOKX-RTBURBONSA-N 2 0 383.581 0.748 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528333476 1196850055 /nfs/dbraw/zinc/85/00/55/1196850055.db2.gz AJRBSSDOCMMQJV-DLBZAZTESA-N 2 0 388.578 0.533 20 0 GCADRP C[NH+]1CCN(Cc2cc(Cl)cc(CN3CC[N@@H+](C)C[C@H]3CO)c2)[C@H](CO)C1 ZINC000639867161 1196858004 /nfs/dbraw/zinc/85/80/04/1196858004.db2.gz KQVWCPGLCCOMGH-PMACEKPBSA-N 2 0 396.963 0.557 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529290923 1196912123 /nfs/dbraw/zinc/91/21/23/1196912123.db2.gz GNFDFZZJSUFSPA-LJQANCHMSA-N 2 0 375.517 0.612 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)C1 ZINC000529305599 1196912984 /nfs/dbraw/zinc/91/29/84/1196912984.db2.gz IYKCZCDYGOHUGX-QZTJIDSGSA-N 2 0 389.500 0.172 20 0 GCADRP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000529333688 1196916337 /nfs/dbraw/zinc/91/63/37/1196916337.db2.gz YXJBBFUIWKHCTM-LJQANCHMSA-N 2 0 389.500 0.897 20 0 GCADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000529387809 1196919347 /nfs/dbraw/zinc/91/93/47/1196919347.db2.gz MJVOCNZEEUSPOT-MRXNPFEDSA-N 2 0 376.505 0.754 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1 ZINC000530570673 1196997019 /nfs/dbraw/zinc/99/70/19/1196997019.db2.gz HUQISEPRYOAZDH-HNNXBMFYSA-N 2 0 389.500 0.972 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000530629988 1197000925 /nfs/dbraw/zinc/00/09/25/1197000925.db2.gz ANEXCESYVMLCJU-ZCNNSNEGSA-N 2 0 389.544 0.414 20 0 GCADRP CNS(=O)(=O)c1ccc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000530641356 1197002665 /nfs/dbraw/zinc/00/26/65/1197002665.db2.gz KHZIUMLJZMWTPC-UHFFFAOYSA-N 2 0 384.546 0.479 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCSC1 ZINC000530655734 1197005163 /nfs/dbraw/zinc/00/51/63/1197005163.db2.gz GUNSJDZADOJVSB-SFHVURJKSA-N 2 0 383.562 0.373 20 0 GCADRP COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530835461 1197020376 /nfs/dbraw/zinc/02/03/76/1197020376.db2.gz VKPDRMDWDVAHIJ-DYESRHJHSA-N 2 0 389.496 0.719 20 0 GCADRP CC(C)NS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000531118466 1197047644 /nfs/dbraw/zinc/04/76/44/1197047644.db2.gz JYKNQSXBPZPGEY-UHFFFAOYSA-N 2 0 384.546 0.939 20 0 GCADRP Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000531118866 1197047809 /nfs/dbraw/zinc/04/78/09/1197047809.db2.gz GGQZHNGKLNKKQL-UHFFFAOYSA-N 2 0 398.573 0.924 20 0 GCADRP COC(CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897366040 1197049932 /nfs/dbraw/zinc/04/99/32/1197049932.db2.gz HVRHYCLDEPSTDC-HZPDHXFCSA-N 2 0 382.549 0.979 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)CC1=O ZINC000452358959 1197054719 /nfs/dbraw/zinc/05/47/19/1197054719.db2.gz GWSPXGCNHBEELF-FGTMMUONSA-N 2 0 380.533 0.282 20 0 GCADRP CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000532027690 1197107410 /nfs/dbraw/zinc/10/74/10/1197107410.db2.gz GFTNFBJKGCCESW-GBESFXJTSA-N 2 0 398.548 0.089 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000453711817 1197125192 /nfs/dbraw/zinc/12/51/92/1197125192.db2.gz RGVSWMNPCKUIOO-HNNXBMFYSA-N 2 0 391.520 0.356 20 0 GCADRP C[NH+](C)CCn1nnnc1SCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000532273710 1197133145 /nfs/dbraw/zinc/13/31/45/1197133145.db2.gz NQDYCKFOTROHBM-HNNXBMFYSA-N 2 0 377.518 0.746 20 0 GCADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171304985 1197156886 /nfs/dbraw/zinc/15/68/86/1197156886.db2.gz VYHKJTWAXXTGBE-ZACQAIPSSA-N 2 0 394.560 0.920 20 0 GCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC4CC[NH+](C)CC4)nc3)C[C@@H]21 ZINC000453922993 1197180953 /nfs/dbraw/zinc/18/09/53/1197180953.db2.gz WGHFWDKSGBRRFH-PBHICJAKSA-N 2 0 387.484 0.656 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1=O ZINC000174623083 1197182011 /nfs/dbraw/zinc/18/20/11/1197182011.db2.gz CBPHXHUYNGORCJ-MRXNPFEDSA-N 2 0 382.574 0.874 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CC2)CC1 ZINC000176048461 1197186413 /nfs/dbraw/zinc/18/64/13/1197186413.db2.gz IOROEGINPQSTCT-GOSISDBHSA-N 2 0 393.576 0.909 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000897380676 1197186940 /nfs/dbraw/zinc/18/69/40/1197186940.db2.gz LYFXSISERUGBIJ-UHFFFAOYSA-N 2 0 378.561 0.973 20 0 GCADRP COc1ccc(N2C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cc1 ZINC000666092450 1197192307 /nfs/dbraw/zinc/19/23/07/1197192307.db2.gz PGJSFJWEDZLXHW-MRXNPFEDSA-N 2 0 391.516 0.935 20 0 GCADRP C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418349119 1197192921 /nfs/dbraw/zinc/19/29/21/1197192921.db2.gz RTGQIFJWYMTNPL-UHOSZYNNSA-N 2 0 389.544 0.963 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000180934863 1197202720 /nfs/dbraw/zinc/20/27/20/1197202720.db2.gz XITFTFLODAYQHT-UHFFFAOYSA-N 2 0 399.499 0.811 20 0 GCADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000188832173 1197234378 /nfs/dbraw/zinc/23/43/78/1197234378.db2.gz PGLOJTUWMHKHJZ-SJORKVTESA-N 2 0 382.549 0.974 20 0 GCADRP C[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000188832196 1197234601 /nfs/dbraw/zinc/23/46/01/1197234601.db2.gz PGLOJTUWMHKHJZ-IRXDYDNUSA-N 2 0 382.549 0.974 20 0 GCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000897420375 1197243621 /nfs/dbraw/zinc/24/36/21/1197243621.db2.gz SDSPQBINFCPRKB-UHFFFAOYSA-N 2 0 393.576 0.606 20 0 GCADRP C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956747 1197308379 /nfs/dbraw/zinc/30/83/79/1197308379.db2.gz BZHUPIXMTUNWQV-GOEBONIOSA-N 2 0 387.488 0.247 20 0 GCADRP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956743 1197308467 /nfs/dbraw/zinc/30/84/67/1197308467.db2.gz BZHUPIXMTUNWQV-ZBFHGGJFSA-N 2 0 387.488 0.247 20 0 GCADRP CC(C)[N@H+](C)CC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532537724 1197323552 /nfs/dbraw/zinc/32/35/52/1197323552.db2.gz AQMKXYYNBJXKJH-UHFFFAOYSA-N 2 0 376.505 0.486 20 0 GCADRP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532568199 1197329687 /nfs/dbraw/zinc/32/96/87/1197329687.db2.gz NNXZKZGLTRDGHO-IEBWSBKVSA-N 2 0 394.560 0.887 20 0 GCADRP C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000897442547 1197331864 /nfs/dbraw/zinc/33/18/64/1197331864.db2.gz XRKNTEVBUFMOKD-MJGOQNOKSA-N 2 0 389.544 0.917 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000112212915 1197333900 /nfs/dbraw/zinc/33/39/00/1197333900.db2.gz VDKZETCYTNDRMZ-SFHVURJKSA-N 2 0 381.565 0.766 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000897465137 1197339445 /nfs/dbraw/zinc/33/94/45/1197339445.db2.gz VCDRRRXYGQKYOH-KRWDZBQOSA-N 2 0 389.500 0.347 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729620306 1197355034 /nfs/dbraw/zinc/35/50/34/1197355034.db2.gz QCJNDSNEJCDZCB-RBUKOAKNSA-N 2 0 380.533 0.994 20 0 GCADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000666670266 1197363015 /nfs/dbraw/zinc/36/30/15/1197363015.db2.gz ALCXFNUOQBCGPU-LJQANCHMSA-N 2 0 386.496 0.984 20 0 GCADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000666670260 1197363151 /nfs/dbraw/zinc/36/31/51/1197363151.db2.gz ALCXFNUOQBCGPU-IBGZPJMESA-N 2 0 386.496 0.984 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000132708164 1197380956 /nfs/dbraw/zinc/38/09/56/1197380956.db2.gz VQJQJKVVUPOSRC-OAHLLOKOSA-N 2 0 377.493 0.215 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1=O ZINC000105323394 1197391287 /nfs/dbraw/zinc/39/12/87/1197391287.db2.gz WBVVKGAIKUCAFI-QRVBRYPASA-N 2 0 394.560 0.888 20 0 GCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000137139380 1197391709 /nfs/dbraw/zinc/39/17/09/1197391709.db2.gz BNIBGCBKOTYFFJ-ROUUACIJSA-N 2 0 387.532 0.724 20 0 GCADRP [NH3+]Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000666727823 1197394231 /nfs/dbraw/zinc/39/42/31/1197394231.db2.gz GVHQORCMLIWCNB-UHFFFAOYSA-N 3 0 396.495 0.807 20 0 GCADRP O=C(CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)N1CCN(c2ccccn2)CC1 ZINC000238034126 1197401923 /nfs/dbraw/zinc/40/19/23/1197401923.db2.gz VBYFCMUXOLDAFJ-LJQANCHMSA-N 2 0 393.491 0.951 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000419011536 1197406397 /nfs/dbraw/zinc/40/63/97/1197406397.db2.gz SKYAQWVNGRXFDH-UHFFFAOYSA-N 2 0 396.919 0.773 20 0 GCADRP CO[C@H]1COCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454430557 1197413322 /nfs/dbraw/zinc/41/33/22/1197413322.db2.gz SGFKCNQXSUCAPN-HKUYNNGSSA-N 2 0 391.516 0.944 20 0 GCADRP CO[C@@H]1COCC[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454430560 1197413430 /nfs/dbraw/zinc/41/34/30/1197413430.db2.gz SGFKCNQXSUCAPN-PKOBYXMFSA-N 2 0 391.516 0.944 20 0 GCADRP CCO[C@@H]1COC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454416180 1197413865 /nfs/dbraw/zinc/41/38/65/1197413865.db2.gz BXUUJFYIGONDJD-QZTJIDSGSA-N 2 0 377.489 0.697 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1=O ZINC000245598867 1197414349 /nfs/dbraw/zinc/41/43/49/1197414349.db2.gz UCRMRJFBHXBPTN-GUDVDZBRSA-N 2 0 388.512 0.148 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCC([NH3+])CC3)CC2)c1 ZINC000419511630 1197421204 /nfs/dbraw/zinc/42/12/04/1197421204.db2.gz IJKUZMPBPAXJHN-UHFFFAOYSA-N 2 0 387.528 0.573 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000246012470 1197442960 /nfs/dbraw/zinc/44/29/60/1197442960.db2.gz TZYJVWIFCAJJDG-DOTOQJQBSA-N 2 0 386.562 0.621 20 0 GCADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000533571958 1197459237 /nfs/dbraw/zinc/45/92/37/1197459237.db2.gz HKWFDVTZVUEGAW-AZUAARDMSA-N 2 0 377.533 0.587 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000246351628 1197465445 /nfs/dbraw/zinc/46/54/45/1197465445.db2.gz DCVWCLIINIHSDQ-HOTGVXAUSA-N 2 0 376.505 0.716 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000246473168 1197471492 /nfs/dbraw/zinc/47/14/92/1197471492.db2.gz QVNYAOYRDDTKNK-ZSYWTGECSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000074655933 1197472222 /nfs/dbraw/zinc/47/22/22/1197472222.db2.gz GDFGAWLUJASSIE-SFHVURJKSA-N 2 0 381.565 0.624 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000246769599 1197473908 /nfs/dbraw/zinc/47/39/08/1197473908.db2.gz PHWAUFQHDYKJHC-IPMKNSEASA-N 2 0 392.544 0.500 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000248372171 1197479076 /nfs/dbraw/zinc/47/90/76/1197479076.db2.gz ZOUPCOHWKQAMNO-PKOBYXMFSA-N 2 0 393.576 0.461 20 0 GCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000897529956 1197492562 /nfs/dbraw/zinc/49/25/62/1197492562.db2.gz ZFQFGTDYWOATLV-UHFFFAOYSA-N 2 0 380.533 0.690 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261794584 1197515197 /nfs/dbraw/zinc/51/51/97/1197515197.db2.gz IKCAJBBYOKWLCC-JKSUJKDBSA-N 2 0 391.516 0.431 20 0 GCADRP O=C(NC[C@@H]1CCCN([C@H]2CCN(CC(F)(F)F)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261884603 1197517336 /nfs/dbraw/zinc/51/73/36/1197517336.db2.gz PRUJTZRTPLBWPV-MJBXVCDLSA-N 2 0 376.423 0.730 20 0 GCADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000261917986 1197519418 /nfs/dbraw/zinc/51/94/18/1197519418.db2.gz USRUJAAXRLGGNX-BBWFWOEESA-N 2 0 388.516 0.496 20 0 GCADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000262012761 1197522127 /nfs/dbraw/zinc/52/21/27/1197522127.db2.gz UXIWUVDEKPSLNH-HNNXBMFYSA-N 2 0 396.557 0.703 20 0 GCADRP C[NH2+]CCC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000262017513 1197522682 /nfs/dbraw/zinc/52/26/82/1197522682.db2.gz WUHABMKXDRWBAO-AWEZNQCLSA-N 2 0 394.541 0.933 20 0 GCADRP [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000666822235 1197536093 /nfs/dbraw/zinc/53/60/93/1197536093.db2.gz NWQODLOFEWFALN-OAQYLSRUSA-N 2 0 382.464 0.837 20 0 GCADRP O=C(NCCN1CCN(c2ncccn2)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000428653455 1197568736 /nfs/dbraw/zinc/56/87/36/1197568736.db2.gz WKDIJJLQTXNQLT-UHFFFAOYSA-N 2 0 387.532 0.772 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672007882 1198999590 /nfs/dbraw/zinc/99/95/90/1198999590.db2.gz FUVABHOKYJXJOP-HNNXBMFYSA-N 2 0 389.500 0.585 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009475 1199001812 /nfs/dbraw/zinc/00/18/12/1199001812.db2.gz IDOUWYAVLRHBQL-RDJZCZTQSA-N 2 0 379.549 0.118 20 0 GCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672098393 1199088793 /nfs/dbraw/zinc/08/87/93/1199088793.db2.gz SGOOLYQTQIGUNU-SFHVURJKSA-N 2 0 395.592 0.850 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000265744149 1199106427 /nfs/dbraw/zinc/10/64/27/1199106427.db2.gz NTECERHKTNPXOW-RBUKOAKNSA-N 2 0 376.501 0.426 20 0 GCADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627307724 1199156618 /nfs/dbraw/zinc/15/66/18/1199156618.db2.gz VDNGRXRDFPMTOU-JSGCOSHPSA-N 2 0 378.439 0.963 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)CC1 ZINC000672206893 1199160275 /nfs/dbraw/zinc/16/02/75/1199160275.db2.gz NBGRLKQYUQAZRY-QGZVFWFLSA-N 2 0 393.576 0.602 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000656294992 1199161489 /nfs/dbraw/zinc/16/14/89/1199161489.db2.gz ZHNHXAVUXPEBJD-UHFFFAOYSA-N 2 0 381.565 0.461 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672304467 1199196786 /nfs/dbraw/zinc/19/67/86/1199196786.db2.gz VFJDZXSTRAAJPC-KRWDZBQOSA-N 2 0 378.517 0.348 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000672306460 1199200134 /nfs/dbraw/zinc/20/01/34/1199200134.db2.gz JSFVXAQRZQAFEX-SFHVURJKSA-N 2 0 376.476 0.974 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000672311224 1199201678 /nfs/dbraw/zinc/20/16/78/1199201678.db2.gz BLEKJPXMYAZELV-HXUWFJFHSA-N 2 0 384.524 0.974 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000672311216 1199201725 /nfs/dbraw/zinc/20/17/25/1199201725.db2.gz BALXTPFAOIKMOU-NEWSRXKRSA-N 2 0 394.560 0.840 20 0 GCADRP CC(=O)N1CCc2cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000112362201 1199202349 /nfs/dbraw/zinc/20/23/49/1199202349.db2.gz AJIRKEACGLOQHE-UHFFFAOYSA-N 2 0 382.530 0.710 20 0 GCADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465946886 1199211820 /nfs/dbraw/zinc/21/18/20/1199211820.db2.gz GTEWXSOIYRMKTQ-QGZVFWFLSA-N 2 0 390.532 0.742 20 0 GCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794760 1199218246 /nfs/dbraw/zinc/21/82/46/1199218246.db2.gz AOBBEGZEHYLYLC-APWZRJJASA-N 2 0 395.507 0.918 20 0 GCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794738 1199218494 /nfs/dbraw/zinc/21/84/94/1199218494.db2.gz AOBBEGZEHYLYLC-QFBILLFUSA-N 2 0 395.507 0.918 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952936 1199218781 /nfs/dbraw/zinc/21/87/81/1199218781.db2.gz SGFWBGSUMHFOJT-QZTJIDSGSA-N 2 0 396.580 0.147 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000672513263 1199253494 /nfs/dbraw/zinc/25/34/94/1199253494.db2.gz FOUWRWYARSZFCH-KRWDZBQOSA-N 2 0 395.548 0.034 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672593337 1199275978 /nfs/dbraw/zinc/27/59/78/1199275978.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 2 0 379.549 0.212 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000672597050 1199277025 /nfs/dbraw/zinc/27/70/25/1199277025.db2.gz FHKZGIJWIKYPMS-IBGZPJMESA-N 2 0 393.576 0.463 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672596849 1199277163 /nfs/dbraw/zinc/27/71/63/1199277163.db2.gz SDNWUBWKSDRCGQ-RBUKOAKNSA-N 2 0 387.528 0.081 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638396 1199288331 /nfs/dbraw/zinc/28/83/31/1199288331.db2.gz GOBFMRUIUUBESA-MJGOQNOKSA-N 2 0 391.560 0.358 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638152 1199291078 /nfs/dbraw/zinc/29/10/78/1199291078.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 2 0 391.560 0.356 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639404 1199291822 /nfs/dbraw/zinc/29/18/22/1199291822.db2.gz BZTOXRNUJCDBCZ-IAGOWNOFSA-N 2 0 379.549 0.262 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640965 1199298605 /nfs/dbraw/zinc/29/86/05/1199298605.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 2 0 393.576 0.604 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642105 1199299900 /nfs/dbraw/zinc/29/99/00/1199299900.db2.gz XVNAIZMBVMSVTD-GOSISDBHSA-N 2 0 395.592 0.852 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303045 /nfs/dbraw/zinc/30/30/45/1199303045.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 2 0 393.576 0.508 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641629 1199303719 /nfs/dbraw/zinc/30/37/19/1199303719.db2.gz VAKNNIAAJMWZEE-INIZCTEOSA-N 2 0 379.549 0.214 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000672694806 1199315615 /nfs/dbraw/zinc/31/56/15/1199315615.db2.gz CMDCPORUWMILQN-IAGOWNOFSA-N 2 0 380.533 0.689 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000672693401 1199317862 /nfs/dbraw/zinc/31/78/62/1199317862.db2.gz VYMXQSZBZNFULY-BHIYHBOVSA-N 2 0 394.560 0.861 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000672699340 1199318377 /nfs/dbraw/zinc/31/83/77/1199318377.db2.gz SSUPMKKTCJDBKJ-QGZVFWFLSA-N 2 0 382.549 0.983 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000077622149 1199319577 /nfs/dbraw/zinc/31/95/77/1199319577.db2.gz DSIAZCJDDJGZLY-HKUYNNGSSA-N 2 0 382.549 0.879 20 0 GCADRP Cc1cccn2cc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc12 ZINC000672764723 1199333770 /nfs/dbraw/zinc/33/37/70/1199333770.db2.gz KTMCSHCXSQZYTP-UHFFFAOYSA-N 2 0 388.516 0.253 20 0 GCADRP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1(C)C ZINC000672854505 1199352366 /nfs/dbraw/zinc/35/23/66/1199352366.db2.gz HLPQLINSUCVOCT-DLBZAZTESA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2)CC1 ZINC000672969770 1199380647 /nfs/dbraw/zinc/38/06/47/1199380647.db2.gz KOSLAXNCRFRTRR-ZDUSSCGKSA-N 2 0 385.468 0.153 20 0 GCADRP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672980074 1199384700 /nfs/dbraw/zinc/38/47/00/1199384700.db2.gz PURACGKRXULBJP-KRWDZBQOSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cn1 ZINC000673155002 1199459198 /nfs/dbraw/zinc/45/91/98/1199459198.db2.gz HAJHYRKNJMKPLR-KRWDZBQOSA-N 2 0 390.463 0.941 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC1 ZINC000265826410 1199495691 /nfs/dbraw/zinc/49/56/91/1199495691.db2.gz WQWWUZYQEPRVJC-KRWDZBQOSA-N 2 0 389.500 0.715 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000673268783 1199513185 /nfs/dbraw/zinc/51/31/85/1199513185.db2.gz YPDGXISLESEIHM-UHFFFAOYSA-N 2 0 377.489 0.109 20 0 GCADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000673287039 1199518033 /nfs/dbraw/zinc/51/80/33/1199518033.db2.gz WGWVIQYFHAGBRB-SFHVURJKSA-N 2 0 375.517 0.241 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627350919 1199558764 /nfs/dbraw/zinc/55/87/64/1199558764.db2.gz FSHNIYPRUNVWEA-ZWKOTPCHSA-N 2 0 376.501 0.160 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCC1 ZINC000673380758 1199583633 /nfs/dbraw/zinc/58/36/33/1199583633.db2.gz JISLHCGSUCHCRJ-SFHVURJKSA-N 2 0 393.576 0.463 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446304 1199659452 /nfs/dbraw/zinc/65/94/52/1199659452.db2.gz VGEPWBRCMKARBG-IRXDYDNUSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673584866 1199828613 /nfs/dbraw/zinc/82/86/13/1199828613.db2.gz WIZNWOCKKPMLRA-SQNIBIBYSA-N 2 0 380.533 0.469 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583541 1199829709 /nfs/dbraw/zinc/82/97/09/1199829709.db2.gz AJAJAUINNYGVAF-NXHRZFHOSA-N 2 0 380.533 0.471 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584249 1199830290 /nfs/dbraw/zinc/83/02/90/1199830290.db2.gz ICTMWJSFCLFHME-MSOLQXFVSA-N 2 0 380.533 0.423 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000671390418 1199874795 /nfs/dbraw/zinc/87/47/95/1199874795.db2.gz GFUHEGILMVMDBZ-UHFFFAOYSA-N 2 0 381.480 0.978 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625022751 1199892388 /nfs/dbraw/zinc/89/23/88/1199892388.db2.gz BCARWOAWJHPJNR-SJORKVTESA-N 2 0 390.532 0.648 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000674309667 1200218593 /nfs/dbraw/zinc/21/85/93/1200218593.db2.gz HISJFFVSHCUVGI-DLBZAZTESA-N 2 0 380.533 0.546 20 0 GCADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000674328977 1200222489 /nfs/dbraw/zinc/22/24/89/1200222489.db2.gz VQNOQVODWDXRTG-QGZVFWFLSA-N 2 0 383.537 0.339 20 0 GCADRP CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000674383960 1200231004 /nfs/dbraw/zinc/23/10/04/1200231004.db2.gz JVNBUXSQMCOHOA-INIZCTEOSA-N 2 0 393.488 0.004 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000670503785 1200381805 /nfs/dbraw/zinc/38/18/05/1200381805.db2.gz QWSAPLWKPBZMPL-IBGZPJMESA-N 3 0 395.592 0.848 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1=O ZINC000246525228 1200410676 /nfs/dbraw/zinc/41/06/76/1200410676.db2.gz WBVVKGAIKUCAFI-OTWHNJEPSA-N 2 0 394.560 0.888 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047694 1200480732 /nfs/dbraw/zinc/48/07/32/1200480732.db2.gz UDSDKTCVXOANMZ-DFQSSKMNSA-N 2 0 393.576 0.832 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000676169717 1200504995 /nfs/dbraw/zinc/50/49/95/1200504995.db2.gz YZYYLHJTHSPTTB-YRXWBPOGSA-N 2 0 380.533 0.605 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374184964 1200634365 /nfs/dbraw/zinc/63/43/65/1200634365.db2.gz WLZLRXZXYAOMOE-UHFFFAOYSA-N 2 0 376.505 0.718 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000448495987 1200634902 /nfs/dbraw/zinc/63/49/02/1200634902.db2.gz OAZZCKWVTUATTQ-UHFFFAOYSA-N 2 0 376.505 0.860 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCSC1 ZINC000427566906 1200649550 /nfs/dbraw/zinc/64/95/50/1200649550.db2.gz ZCJFJKCNJKASTH-GOSISDBHSA-N 2 0 394.545 0.642 20 0 GCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000373326768 1200650415 /nfs/dbraw/zinc/65/04/15/1200650415.db2.gz DSRYBUYULANJRO-ZBFHGGJFSA-N 2 0 376.505 1.077 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376041257 1200695279 /nfs/dbraw/zinc/69/52/79/1200695279.db2.gz FXCXBDAWQSQARJ-HNNXBMFYSA-N 2 0 378.521 1.459 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427101352 1200734176 /nfs/dbraw/zinc/73/41/76/1200734176.db2.gz PAJOOORLGKOBNI-MRXNPFEDSA-N 2 0 390.532 1.325 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1CCCC1 ZINC000372952393 1200754195 /nfs/dbraw/zinc/75/41/95/1200754195.db2.gz RQZFEOLADSBLHN-QGZVFWFLSA-N 2 0 390.532 1.325 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000375750093 1200807727 /nfs/dbraw/zinc/80/77/27/1200807727.db2.gz SBKUCRBEHDCDBX-UHFFFAOYSA-N 2 0 376.505 0.936 20 0 GCADRP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](C)C2)O1)[C@@H]1CCC[NH+](C)C1 ZINC000189876540 1200954076 /nfs/dbraw/zinc/95/40/76/1200954076.db2.gz VDAYCRPAEJQARL-USTZCAOPSA-N 2 0 380.533 0.639 20 0 GCADRP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000923377599 1200973283 /nfs/dbraw/zinc/97/32/83/1200973283.db2.gz ODJOSTGLWQSZLB-YZGWKJHDSA-N 2 0 388.512 0.955 20 0 GCADRP O=C1N[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923378190 1200973298 /nfs/dbraw/zinc/97/32/98/1200973298.db2.gz RQGDFECESPFXPH-KBAYOESNSA-N 2 0 392.475 0.786 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365890734 1201052382 /nfs/dbraw/zinc/05/23/82/1201052382.db2.gz WCIUXPIQQLGRMY-INIZCTEOSA-N 2 0 377.537 1.297 20 0 GCADRP COC(=O)[C@H](O)C1CC[NH+](C/C=C\C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)CC1 ZINC000611151926 1201220332 /nfs/dbraw/zinc/22/03/32/1201220332.db2.gz RDQKIMQGIXQKBO-GRFNRIFCSA-N 2 0 398.500 0.034 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001080878074 1201284527 /nfs/dbraw/zinc/28/45/27/1201284527.db2.gz YVKMITAWVSSIJG-QBPKDAKJSA-N 2 0 380.533 0.137 20 0 GCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082520192 1201337146 /nfs/dbraw/zinc/33/71/46/1201337146.db2.gz HINSYWGAKHHENB-KLHDSHLOSA-N 2 0 377.537 0.747 20 0 GCADRP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447279 1201412537 /nfs/dbraw/zinc/41/25/37/1201412537.db2.gz HDVSONDAFHQOPJ-BNEJOLLZSA-N 2 0 376.505 0.147 20 0 GCADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447466 1201412567 /nfs/dbraw/zinc/41/25/67/1201412567.db2.gz OROCWHSZMVNMMT-NCXUSEDFSA-N 2 0 375.517 0.752 20 0 GCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(CC[NH+]3CCOCC3)CC1)C2=O ZINC000738111517 1201734149 /nfs/dbraw/zinc/73/41/49/1201734149.db2.gz MXOWMOCLWRNBHM-UHFFFAOYSA-N 2 0 393.532 0.394 20 0 GCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(OCC[NH+]3CCCC3)CC1)C2=O ZINC000744441697 1201843826 /nfs/dbraw/zinc/84/38/26/1201843826.db2.gz SUILEXKFIVXKDL-UHFFFAOYSA-N 2 0 393.532 0.537 20 0 GCADRP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000745824673 1201891399 /nfs/dbraw/zinc/89/13/99/1201891399.db2.gz KWZHNQBBKOZOAK-HKUYNNGSSA-N 2 0 381.565 0.813 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000923603649 1201897611 /nfs/dbraw/zinc/89/76/11/1201897611.db2.gz OPCXILNYKQTYSN-GOSISDBHSA-N 2 0 385.530 0.815 20 0 GCADRP COc1ccc(CN2CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC2=O)cc1 ZINC001168909302 1201928706 /nfs/dbraw/zinc/92/87/06/1201928706.db2.gz MTINASHPYBSHSG-HNNXBMFYSA-N 2 0 380.449 0.324 20 0 GCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)S(C)(=O)=O)cn1 ZINC001169130422 1201932636 /nfs/dbraw/zinc/93/26/36/1201932636.db2.gz NXHPEBOVILDPGI-OBVSXPTNSA-N 2 0 381.546 0.580 20 0 GCADRP COC(=O)[C@H](CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)CNC(C)=O ZINC001169125308 1201932690 /nfs/dbraw/zinc/93/26/90/1201932690.db2.gz YQWWUJMHCUIRSH-NXOAAHMSSA-N 2 0 382.505 0.165 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169134921 1201933287 /nfs/dbraw/zinc/93/32/87/1201933287.db2.gz XERVXPMDVHGILC-REPLKXPHSA-N 3 0 377.577 0.782 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001169167750 1201934553 /nfs/dbraw/zinc/93/45/53/1201934553.db2.gz KZYOTIARQBJZOT-LSDHHAIUSA-N 2 0 376.505 0.534 20 0 GCADRP CC[NH+]1CCC(N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001169233853 1201940085 /nfs/dbraw/zinc/94/00/85/1201940085.db2.gz WWESBICTKQLKMO-UHFFFAOYSA-N 2 0 396.517 0.723 20 0 GCADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CO1 ZINC001169347826 1201942555 /nfs/dbraw/zinc/94/25/55/1201942555.db2.gz CMWCENOLVWDTML-RDTXWAMCSA-N 2 0 384.473 0.693 20 0 GCADRP CC(=O)N1CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001169613580 1201953426 /nfs/dbraw/zinc/95/34/26/1201953426.db2.gz ZQGHXUZOMHXZNS-GOSISDBHSA-N 2 0 379.549 0.168 20 0 GCADRP C[C@H]1C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000767612679 1201979362 /nfs/dbraw/zinc/97/93/62/1201979362.db2.gz QUIPDUUIBDOUPD-QFBILLFUSA-N 2 0 380.558 0.834 20 0 GCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109295197 1202015117 /nfs/dbraw/zinc/01/51/17/1202015117.db2.gz ZPGVUKIZGDRTHQ-YRXWBPOGSA-N 2 0 378.517 0.202 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC001109304227 1202018725 /nfs/dbraw/zinc/01/87/25/1202018725.db2.gz PZJBIPFDOWCGNT-MTSZKFMLSA-N 2 0 386.562 0.330 20 0 GCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799369 1202124215 /nfs/dbraw/zinc/12/42/15/1202124215.db2.gz WERPRFAZARTSNV-QYZOEREBSA-N 2 0 380.533 0.593 20 0 GCADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCOCC[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170021680 1202125428 /nfs/dbraw/zinc/12/54/28/1202125428.db2.gz IVDKNFTXQZFADZ-KBPBESRZSA-N 2 0 388.534 0.462 20 0 GCADRP COCCN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000771597995 1202150265 /nfs/dbraw/zinc/15/02/65/1202150265.db2.gz TVLYLNWSXHYCEF-UHFFFAOYSA-N 2 0 382.549 0.651 20 0 GCADRP OCCCC[NH+]1CCN(c2cc(N3CC[NH+](CCCCO)CC3)ncn2)CC1 ZINC000772085193 1202173689 /nfs/dbraw/zinc/17/36/89/1202173689.db2.gz XQPOGGUNCMIKSY-UHFFFAOYSA-N 2 0 392.548 0.266 20 0 GCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787667475 1205398282 /nfs/dbraw/zinc/39/82/82/1205398282.db2.gz DAQMWZUEPCHCAH-FUHWJXTLSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787667473 1205398431 /nfs/dbraw/zinc/39/84/31/1205398431.db2.gz DAQMWZUEPCHCAH-AEFFLSMTSA-N 2 0 380.533 0.594 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790471444 1205465312 /nfs/dbraw/zinc/46/53/12/1205465312.db2.gz KRAUGKZOJRKAQG-HNNXBMFYSA-N 2 0 399.536 0.064 20 0 GCADRP Cn1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ccc1=O ZINC001170391630 1205491332 /nfs/dbraw/zinc/49/13/32/1205491332.db2.gz CYNISAWBMLSMPY-LGEZUQEUSA-N 2 0 397.520 0.054 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(F)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388897 1205491359 /nfs/dbraw/zinc/49/13/59/1205491359.db2.gz AAUNENPPUZFQOL-YIIZKNBGSA-N 2 0 385.484 0.889 20 0 GCADRP Cn1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ccc1=O ZINC001170391631 1205491363 /nfs/dbraw/zinc/49/13/63/1205491363.db2.gz CYNISAWBMLSMPY-LYHUEXMXSA-N 2 0 397.520 0.054 20 0 GCADRP Cc1cc[n+]([O-])c(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170388299 1205491370 /nfs/dbraw/zinc/49/13/70/1205491370.db2.gz KWADNZIRKZQWLU-BEIYGRMHSA-N 2 0 396.532 0.902 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc[n+]([O-])c2)[C@H](O)OC(C)(C)C)C1 ZINC001170395839 1205491582 /nfs/dbraw/zinc/49/15/82/1205491582.db2.gz ODBWKVRUKUVBSX-PEJOBZMASA-N 2 0 382.505 0.593 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(N)nc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170392316 1205491585 /nfs/dbraw/zinc/49/15/85/1205491585.db2.gz PDRUZHOPHRSUFP-YIIZKNBGSA-N 2 0 382.509 0.332 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[NH+](C)C)cc1 ZINC000793717050 1205503305 /nfs/dbraw/zinc/50/33/05/1205503305.db2.gz DGGVIOHSIFHRDF-QRVBRYPASA-N 2 0 388.512 0.693 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000793718021 1205503369 /nfs/dbraw/zinc/50/33/69/1205503369.db2.gz AEAQOSYGOIPAII-SJORKVTESA-N 2 0 395.548 0.036 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701010 1205504327 /nfs/dbraw/zinc/50/43/27/1205504327.db2.gz NNUWPQKBZKTRCT-HKUYNNGSSA-N 2 0 393.576 0.604 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000793850350 1205507721 /nfs/dbraw/zinc/50/77/21/1205507721.db2.gz XEDNRTALYJOPIY-GVDBMIGSSA-N 2 0 392.500 0.758 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000793850351 1205507845 /nfs/dbraw/zinc/50/78/45/1205507845.db2.gz XEDNRTALYJOPIY-IXDOHACOSA-N 2 0 392.500 0.758 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)c1 ZINC000793872023 1205508568 /nfs/dbraw/zinc/50/85/68/1205508568.db2.gz WRDMURGCGTUVHR-OALUTQOASA-N 2 0 388.512 0.734 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000793916165 1205509377 /nfs/dbraw/zinc/50/93/77/1205509377.db2.gz XNZSIJGLIYENGH-XWTMOSNGSA-N 2 0 394.560 0.839 20 0 GCADRP C[NH+]1CCC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)(N2CCOCC2)CC1 ZINC001129720862 1205519093 /nfs/dbraw/zinc/51/90/93/1205519093.db2.gz RZAIWVRTVUAZNF-UHFFFAOYSA-N 2 0 384.484 0.794 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000805636057 1205541694 /nfs/dbraw/zinc/54/16/94/1205541694.db2.gz JOAXQZDJCRMBFK-SQNIBIBYSA-N 2 0 394.560 0.983 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807685615 1205588105 /nfs/dbraw/zinc/58/81/05/1205588105.db2.gz TYNXUKMCXMLGLM-UHFFFAOYSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000809674168 1205628486 /nfs/dbraw/zinc/62/84/86/1205628486.db2.gz AWRZDDPGZIWQBE-KRWDZBQOSA-N 2 0 398.548 0.520 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001086701453 1205661400 /nfs/dbraw/zinc/66/14/00/1205661400.db2.gz XCXFPVDBLQFPRE-XUWVNRHRSA-N 2 0 379.505 0.143 20 0 GCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001172115012 1205713065 /nfs/dbraw/zinc/71/30/65/1205713065.db2.gz FXWNVVWKYDDJQO-MUJYYYPQSA-N 2 0 381.546 0.806 20 0 GCADRP COCCC[NH+]1CCC(NS(=O)(=O)c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001172252321 1205715345 /nfs/dbraw/zinc/71/53/45/1205715345.db2.gz KNJBIJRJHUQWIL-UHFFFAOYSA-N 2 0 396.557 0.875 20 0 GCADRP CC[NH+](CC)CCn1cc(-n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cn1 ZINC001203251736 1205716755 /nfs/dbraw/zinc/71/67/55/1205716755.db2.gz KYABORPCTMYPDH-UHFFFAOYSA-N 2 0 387.532 0.831 20 0 GCADRP COC(=O)[C@H]1CCC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001172799414 1205717618 /nfs/dbraw/zinc/71/76/18/1205717618.db2.gz PEHBYAMVTXWRQY-ZWKOTPCHSA-N 2 0 390.521 0.723 20 0 GCADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173021142 1205718380 /nfs/dbraw/zinc/71/83/80/1205718380.db2.gz STZVZJZEOVCQFL-CABCVRRESA-N 2 0 379.457 0.532 20 0 GCADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173021143 1205718498 /nfs/dbraw/zinc/71/84/98/1205718498.db2.gz STZVZJZEOVCQFL-GJZGRUSLSA-N 2 0 379.457 0.532 20 0 GCADRP COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])NCCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001173484445 1205721296 /nfs/dbraw/zinc/72/12/96/1205721296.db2.gz ABJFRPRRNOHADT-HOTGVXAUSA-N 2 0 375.473 0.686 20 0 GCADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)C[C@@H]1C(=O)OC ZINC001173581116 1205724715 /nfs/dbraw/zinc/72/47/15/1205724715.db2.gz GPHKFZZDKCRXAX-XJFOESAGSA-N 2 0 387.477 0.907 20 0 GCADRP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001173648659 1205726261 /nfs/dbraw/zinc/72/62/61/1205726261.db2.gz FEXNCPVLAXNHMO-QZTJIDSGSA-N 2 0 390.521 0.723 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755733 1205727517 /nfs/dbraw/zinc/72/75/17/1205727517.db2.gz WBDPUFVNZGNYHJ-ZJPYXAASSA-N 2 0 391.520 0.268 20 0 GCADRP CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001176596283 1205748957 /nfs/dbraw/zinc/74/89/57/1205748957.db2.gz IZICRZNMTQIFKH-ZDUSSCGKSA-N 2 0 393.492 0.711 20 0 GCADRP CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCC[NH2+]CCO)C2)CC1 ZINC001179379124 1205809302 /nfs/dbraw/zinc/80/93/02/1205809302.db2.gz GHTYWJBYGGPMPR-INIZCTEOSA-N 2 0 398.548 0.796 20 0 GCADRP CC(C)[NH+]1CCN(CC(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)CC1 ZINC001180350843 1205822088 /nfs/dbraw/zinc/82/20/88/1205822088.db2.gz IHPHBTJUFMGMIR-UHFFFAOYSA-N 2 0 396.557 0.967 20 0 GCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001180408928 1205824527 /nfs/dbraw/zinc/82/45/27/1205824527.db2.gz VQTGDVZFZPJWKL-JKSUJKDBSA-N 3 0 375.473 0.369 20 0 GCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001180408469 1205824825 /nfs/dbraw/zinc/82/48/25/1205824825.db2.gz WTWQPSULHRZJIV-CEXWTWQISA-N 2 0 389.496 0.697 20 0 GCADRP COc1ccnc(N(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C2CC[NH2+]CC2)c1 ZINC001180610971 1205828670 /nfs/dbraw/zinc/82/86/70/1205828670.db2.gz PLZDHJUPGHYXFU-UHFFFAOYSA-N 2 0 389.500 0.763 20 0 GCADRP Cc1ccc(N(C(=O)[C@@H]2CN(C)CCO2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761141 1205830176 /nfs/dbraw/zinc/83/01/76/1205830176.db2.gz XHIZRZXDRUDONT-GJYPPUQNSA-N 2 0 375.473 0.360 20 0 GCADRP Cc1ccc(N(C(=O)[C@@H]2CN(C)CCO2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001180761140 1205830319 /nfs/dbraw/zinc/83/03/19/1205830319.db2.gz XHIZRZXDRUDONT-BXWFABGCSA-N 2 0 375.473 0.360 20 0 GCADRP C[C@@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+])[NH+](C)C ZINC001180864974 1205834772 /nfs/dbraw/zinc/83/47/72/1205834772.db2.gz NNAQEGYZOBDUEW-WKLICJCCSA-N 3 0 388.553 0.232 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CC13CCC[NH+]1CCC3)CC2 ZINC001181107552 1205838445 /nfs/dbraw/zinc/83/84/45/1205838445.db2.gz ZTMXDRASYZQAQV-UHFFFAOYSA-N 2 0 389.500 0.869 20 0 GCADRP CO[C@H](C)CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181601936 1205847381 /nfs/dbraw/zinc/84/73/81/1205847381.db2.gz SARUGUZCFSLKQO-OVARMSRNSA-N 2 0 389.537 0.707 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001181991501 1205853071 /nfs/dbraw/zinc/85/30/71/1205853071.db2.gz ACWLBGMTFIWKGA-HNNXBMFYSA-N 2 0 377.489 0.725 20 0 GCADRP Cc1ccc(N(C(=O)C2(O)CC[NH+](C)CC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001182032914 1205854031 /nfs/dbraw/zinc/85/40/31/1205854031.db2.gz VZCJJRUCEGLFPW-VQIMIIECSA-N 2 0 389.500 0.486 20 0 GCADRP COC(=O)[C@@]1(NC(=O)C2(O)CC[NH+](C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001182035863 1205854388 /nfs/dbraw/zinc/85/43/88/1205854388.db2.gz HFAATRODXQNDCC-LJQANCHMSA-N 2 0 375.469 0.377 20 0 GCADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC001182018514 1205854829 /nfs/dbraw/zinc/85/48/29/1205854829.db2.gz YVYBIKKPIQXCAQ-QGZVFWFLSA-N 2 0 378.498 0.274 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1 ZINC001182567194 1205876984 /nfs/dbraw/zinc/87/69/84/1205876984.db2.gz ZQEGBQOLKRVYFE-SHTZXODSSA-N 2 0 377.489 0.782 20 0 GCADRP Cn1nnc2c1CCN(C(=O)C1([NH+](C)C)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001182596222 1205877209 /nfs/dbraw/zinc/87/72/09/1205877209.db2.gz GYWSVBWSEZHNRS-MRXNPFEDSA-N 2 0 376.505 0.448 20 0 GCADRP CC[C@H](CO)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001183174058 1205888259 /nfs/dbraw/zinc/88/82/59/1205888259.db2.gz OKVMJPBSJCTINZ-ZSDNPPSXSA-N 2 0 389.537 0.301 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC001183308237 1205890801 /nfs/dbraw/zinc/89/08/01/1205890801.db2.gz GTWYDJPILCDXIE-ZDUSSCGKSA-N 2 0 383.493 0.876 20 0 GCADRP CC(C)[C@H](C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)[NH+](C)C ZINC001183360365 1205891442 /nfs/dbraw/zinc/89/14/42/1205891442.db2.gz NVGQJFCJGMBJLQ-PKOBYXMFSA-N 2 0 392.548 0.940 20 0 GCADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001183373364 1205892000 /nfs/dbraw/zinc/89/20/00/1205892000.db2.gz SLIUCQVZKKJYGD-JZXOWHBKSA-N 2 0 390.532 0.694 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC001183373496 1205892058 /nfs/dbraw/zinc/89/20/58/1205892058.db2.gz WAPBOEJHPHEFRG-CALCHBBNSA-N 2 0 379.549 0.023 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1 ZINC001183519370 1205893805 /nfs/dbraw/zinc/89/38/05/1205893805.db2.gz WNZYAJJWAVJORP-CVEARBPZSA-N 2 0 388.472 0.848 20 0 GCADRP COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774727468 1205906415 /nfs/dbraw/zinc/90/64/15/1205906415.db2.gz WGABRADUUWEGBG-NBVRZTHBSA-N 2 0 398.573 0.924 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000774855520 1205920480 /nfs/dbraw/zinc/92/04/80/1205920480.db2.gz DZXVQNAGSZWMCB-GOSISDBHSA-N 2 0 380.533 0.735 20 0 GCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001186106856 1205935156 /nfs/dbraw/zinc/93/51/56/1205935156.db2.gz PUNJMWARZXPVBA-INIZCTEOSA-N 2 0 389.500 0.359 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCC[N@H+](C)C1)CC2 ZINC001186353351 1205938259 /nfs/dbraw/zinc/93/82/59/1205938259.db2.gz GADBLWWDMVUPQI-KRWDZBQOSA-N 2 0 379.549 0.025 20 0 GCADRP Cn1nnc2c1CCN(c1ncc3c(n1)CC[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713497 720171928 /nfs/dbraw/zinc/17/19/28/720171928.db2.gz LMJKAYISEOCDHG-GOSISDBHSA-N 2 0 398.515 0.467 20 0 GCADRP Cn1nnc2c1CCN(c1ncc3c(n1)C[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164716572 720182084 /nfs/dbraw/zinc/18/20/84/720182084.db2.gz HXTKCOSJTVOFCO-KRWDZBQOSA-N 2 0 384.488 0.425 20 0 GCADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164744389 720640112 /nfs/dbraw/zinc/64/01/12/720640112.db2.gz RZFPYQWDJCYUPZ-CHWSQXEVSA-N 2 0 387.875 0.908 20 0 GCADRP c1ncc(O[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)cn1 ZINC001164743765 720708635 /nfs/dbraw/zinc/70/86/35/720708635.db2.gz YEVVOGOAQGTIBQ-JKSUJKDBSA-N 2 0 382.472 0.018 20 0 GCADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164740373 720725161 /nfs/dbraw/zinc/72/51/61/720725161.db2.gz KJSJGPCVSVLVND-ZWKOTPCHSA-N 2 0 395.511 0.965 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]2C1 ZINC001164850924 720840124 /nfs/dbraw/zinc/84/01/24/720840124.db2.gz FOTMSFXNFMQFSG-CZUORRHYSA-N 2 0 381.908 0.949 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@H]2C1 ZINC001164850925 720840444 /nfs/dbraw/zinc/84/04/44/720840444.db2.gz FOTMSFXNFMQFSG-XJKSGUPXSA-N 2 0 381.908 0.949 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@H]3C2)cn1 ZINC001164762690 721080032 /nfs/dbraw/zinc/08/00/32/721080032.db2.gz FFHBNUDWHSDLMH-RTBURBONSA-N 2 0 396.543 0.920 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4c(n3)CC[NH2+]C4)CC2)C1 ZINC001164870240 721263811 /nfs/dbraw/zinc/26/38/11/721263811.db2.gz UTKMHWNMIVBARC-UHFFFAOYSA-N 2 0 387.528 0.734 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc4c(n3)CC[NH2+]C4)CC2)C1 ZINC001164868852 721266047 /nfs/dbraw/zinc/26/60/47/721266047.db2.gz FWKJQVPBTJMZIF-UHFFFAOYSA-N 2 0 388.516 0.129 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c3CC[NH2+]C4)CC2)C1 ZINC001164868531 721267194 /nfs/dbraw/zinc/26/71/94/721267194.db2.gz ASMRWYABWRPFBW-UHFFFAOYSA-N 2 0 388.516 0.129 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(C4C[NH2+]C4)ncn3)CC2)C1 ZINC001164874810 721293854 /nfs/dbraw/zinc/29/38/54/721293854.db2.gz CRIOMLMLCLDUCI-UHFFFAOYSA-N 2 0 388.516 0.170 20 0 GCADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889743 721391503 /nfs/dbraw/zinc/39/15/03/721391503.db2.gz MAAUJZRDXAFCHD-GHTZIAJQSA-N 2 0 386.544 0.888 20 0 GCADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164890583 721394551 /nfs/dbraw/zinc/39/45/51/721394551.db2.gz OLYAUUUTIVAXGS-LAUBAEHRSA-N 2 0 386.544 0.888 20 0 GCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cccc(N4CCOCC4)[nH+]2)CC3)CC1 ZINC001164798383 721517239 /nfs/dbraw/zinc/51/72/39/721517239.db2.gz SUZDYIFJHVAXQF-UHFFFAOYSA-N 2 0 397.527 0.882 20 0 GCADRP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264499 945485600 /nfs/dbraw/zinc/48/56/00/945485600.db2.gz QECVMIMIPHWCLO-HUUCEWRRSA-N 2 0 385.472 0.518 20 0 GCADRP Cc1cc(N[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571271904 945653999 /nfs/dbraw/zinc/65/39/99/945653999.db2.gz MGLSQAYZCCZMHG-YOEHRIQHSA-N 2 0 386.504 0.981 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282698 945857234 /nfs/dbraw/zinc/85/72/34/945857234.db2.gz NXCNATIMBCQGDZ-HIFRSBDPSA-N 2 0 387.463 0.896 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282699 945858633 /nfs/dbraw/zinc/85/86/33/945858633.db2.gz NXCNATIMBCQGDZ-UKRRQHHQSA-N 2 0 387.463 0.896 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825450628 947192420 /nfs/dbraw/zinc/19/24/20/947192420.db2.gz BSHLXEWMYLXNAJ-AWEZNQCLSA-N 2 0 390.492 0.580 20 0 GCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575256857 949264455 /nfs/dbraw/zinc/26/44/55/949264455.db2.gz XIYYCQJIVPMKQF-CQSZACIVSA-N 2 0 381.484 0.899 20 0 GCADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263781 949408791 /nfs/dbraw/zinc/40/87/91/949408791.db2.gz JMBPOAWBHXQXSR-GXTWGEPZSA-N 2 0 387.463 0.894 20 0 GCADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575283015 949853607 /nfs/dbraw/zinc/85/36/07/949853607.db2.gz MLYZVDCVTBXXGZ-CHWSQXEVSA-N 2 0 388.476 0.100 20 0 GCADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576181051 949988267 /nfs/dbraw/zinc/98/82/67/949988267.db2.gz GYEDGNDRNQWJLV-HUUCEWRRSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576191378 950194642 /nfs/dbraw/zinc/19/46/42/950194642.db2.gz FQLLENIFBPHMTR-RHSMWYFYSA-N 2 0 387.488 0.117 20 0 GCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574158058 950270209 /nfs/dbraw/zinc/27/02/09/950270209.db2.gz NPPWJGUIZNUVKF-CQSZACIVSA-N 2 0 386.504 0.968 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196764 950371025 /nfs/dbraw/zinc/37/10/25/950371025.db2.gz HMYMHZJBWRBZLQ-HUUCEWRRSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197453 950397064 /nfs/dbraw/zinc/39/70/64/950397064.db2.gz OKFPQQZKPXMDBS-HUUCEWRRSA-N 2 0 384.488 0.676 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208359 950609054 /nfs/dbraw/zinc/60/90/54/950609054.db2.gz OHYQMNWNTQUHDC-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574772631 950977059 /nfs/dbraw/zinc/97/70/59/950977059.db2.gz SZYJTFUISYMVKA-STQMWFEESA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078058 951676888 /nfs/dbraw/zinc/67/68/88/951676888.db2.gz JPZHXKAFQXHBJP-CYBMUJFWSA-N 2 0 375.452 0.944 20 0 GCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078047 951678208 /nfs/dbraw/zinc/67/82/08/951678208.db2.gz JNEPOKVFUQKJJW-TZMCWYRMSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081706 951725277 /nfs/dbraw/zinc/72/52/77/951725277.db2.gz RTKFHYBAXPIOQW-GXTWGEPZSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081707 951725935 /nfs/dbraw/zinc/72/59/35/951725935.db2.gz RTKFHYBAXPIOQW-JSGCOSHPSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101099 951853664 /nfs/dbraw/zinc/85/36/64/951853664.db2.gz ZKYCEZGWAUXVDL-GFCCVEGCSA-N 2 0 375.502 0.866 20 0 GCADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575147172 952198403 /nfs/dbraw/zinc/19/84/03/952198403.db2.gz ROMNYBIUNPUIRW-CYBMUJFWSA-N 2 0 388.476 0.053 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119949 952497204 /nfs/dbraw/zinc/49/72/04/952497204.db2.gz HLLUOURVOXAODH-OLZOCXBDSA-N 2 0 375.502 0.818 20 0 GCADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571190092 952939977 /nfs/dbraw/zinc/93/99/77/952939977.db2.gz FEKGJQLNVHVDAK-SJLPKXTDSA-N 2 0 381.484 0.899 20 0 GCADRP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571190258 952940766 /nfs/dbraw/zinc/94/07/66/952940766.db2.gz GBNKULWUXUHGMY-QGZVFWFLSA-N 2 0 381.484 0.995 20 0 GCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571250498 953310982 /nfs/dbraw/zinc/31/09/82/953310982.db2.gz QGRGDJAZLANCMU-ZBFHGGJFSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571250488 953311246 /nfs/dbraw/zinc/31/12/46/953311246.db2.gz QGRGDJAZLANCMU-GDBMZVCRSA-N 2 0 384.488 0.817 20 0 GCADRP Cc1cc(N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571251883 953320585 /nfs/dbraw/zinc/32/05/85/953320585.db2.gz CDKHRRFZSGOFSL-CJNGLKHVSA-N 2 0 384.488 0.735 20 0 GCADRP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252503 953329880 /nfs/dbraw/zinc/32/98/80/953329880.db2.gz NZTMQIFPYBVRSB-KKUMJFAQSA-N 2 0 384.488 0.995 20 0 GCADRP Cc1cc(N[C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252588 953330812 /nfs/dbraw/zinc/33/08/12/953330812.db2.gz QNKCURFEHDOGJJ-GASCZTMLSA-N 2 0 384.488 0.783 20 0 GCADRP C[C@H]1C[C@@H](C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571252746 953332555 /nfs/dbraw/zinc/33/25/55/953332555.db2.gz VPSQEEFHQHGRRI-LQULJDIASA-N 2 0 384.488 0.721 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000607226502 530152989 /nfs/dbraw/zinc/15/29/89/530152989.db2.gz DQROBLKIKCAGFE-UHFFFAOYSA-N 2 0 377.536 0.030 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000572606539 530316515 /nfs/dbraw/zinc/31/65/15/530316515.db2.gz WSUHVNIKABBJEJ-HNNXBMFYSA-N 2 0 375.535 0.113 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000572606540 530316591 /nfs/dbraw/zinc/31/65/91/530316591.db2.gz WSUHVNIKABBJEJ-OAHLLOKOSA-N 2 0 375.535 0.113 20 0 GCADRP COC(=O)C1CC[NH+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000601306600 530376588 /nfs/dbraw/zinc/37/65/88/530376588.db2.gz MRLIJMBFLUFQBP-UHFFFAOYSA-N 2 0 375.535 0.667 20 0 GCADRP C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C(=O)NCC[NH3+] ZINC000415266469 530501780 /nfs/dbraw/zinc/50/17/80/530501780.db2.gz HKPSZVQMUSFUDF-NSHDSACASA-N 2 0 398.305 0.603 20 0 GCADRP C[C@]([NH3+])(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(Br)cc1 ZINC000566497019 530531618 /nfs/dbraw/zinc/53/16/18/530531618.db2.gz WMSBYQAQGPSIQV-DVOMOZLQSA-N 2 0 381.274 0.393 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000563874061 530565553 /nfs/dbraw/zinc/56/55/53/530565553.db2.gz FUFIIUOWKZCCOR-UHFFFAOYSA-N 2 0 385.559 0.823 20 0 GCADRP C[C@@H]1CN(CCCCNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C[C@H](C)O1 ZINC000579236038 530739941 /nfs/dbraw/zinc/73/99/41/530739941.db2.gz STDZUZBTUCAXAS-GASCZTMLSA-N 2 0 375.535 0.159 20 0 GCADRP CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000579350934 530741790 /nfs/dbraw/zinc/74/17/90/530741790.db2.gz ABEWDJDCIUINMO-LSDHHAIUSA-N 2 0 395.301 0.903 20 0 GCADRP CN1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@H](C[NH3+])C1 ZINC000582903923 530856159 /nfs/dbraw/zinc/85/61/59/530856159.db2.gz RMVRGFRGOQDQGJ-OLZOCXBDSA-N 2 0 395.301 0.903 20 0 GCADRP C[C@@]([NH3+])(C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000662749823 531022693 /nfs/dbraw/zinc/02/26/93/531022693.db2.gz LWSJQAWJELJGRD-HNNXBMFYSA-N 2 0 380.246 0.894 20 0 GCADRP O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)C1(O)C[NH2+]C1 ZINC000662737631 531022777 /nfs/dbraw/zinc/02/27/77/531022777.db2.gz ABMOFCWDGPAWCE-UHFFFAOYSA-N 2 0 398.301 0.743 20 0 GCADRP Cn1ncc(I)c1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000555889688 531171833 /nfs/dbraw/zinc/17/18/33/531171833.db2.gz ZLDVZTUZGLXZFQ-UHFFFAOYSA-N 2 0 393.273 0.590 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736150274 598348911 /nfs/dbraw/zinc/34/89/11/598348911.db2.gz ZJGMTCMJMNLPHO-CQSZACIVSA-N 2 0 387.488 0.830 20 0 GCADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000826045257 607819993 /nfs/dbraw/zinc/81/99/93/607819993.db2.gz STEMSIYQNQAEKY-ZDUSSCGKSA-N 2 0 395.475 0.364 20 0 GCADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1-c1nn[nH]n1 ZINC000826073157 608021803 /nfs/dbraw/zinc/02/18/03/608021803.db2.gz HCXNGDPGBOHZQB-LBPRGKRZSA-N 2 0 375.481 0.945 20 0 GCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863548077 641241224 /nfs/dbraw/zinc/24/12/24/641241224.db2.gz URMKMXOTUFECAI-ZDUSSCGKSA-N 2 0 393.531 0.428 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCS2)C[C@H]1C[NH+](C)C ZINC000875224659 641540929 /nfs/dbraw/zinc/54/09/29/641540929.db2.gz IAYPRKMQRUPGCZ-RBSFLKMASA-N 2 0 388.603 0.149 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCOCC(F)(F)F ZINC000809833451 641713947 /nfs/dbraw/zinc/71/39/47/641713947.db2.gz IUKLXCWQZCNPBK-UHFFFAOYSA-N 2 0 375.457 0.853 20 0 GCADRP O[C@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)C(F)(F)C(F)(F)F ZINC000883360041 641751749 /nfs/dbraw/zinc/75/17/49/641751749.db2.gz SJXJSFUVUJWPBA-CYBMUJFWSA-N 2 0 375.382 0.931 20 0 GCADRP CCOC(=O)CC1(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000831135993 642156870 /nfs/dbraw/zinc/15/68/70/642156870.db2.gz VKRDTHWYNRHSLZ-UHFFFAOYSA-N 2 0 375.535 0.760 20 0 GCADRP C[NH+](CCCCCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000105570126 642404402 /nfs/dbraw/zinc/40/44/02/642404402.db2.gz FJCMVBBIXSEQKG-HZPDHXFCSA-N 2 0 380.576 0.785 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000662960284 1192171115 /nfs/dbraw/zinc/17/11/15/1192171115.db2.gz PPHJGOOJZPIGCL-OALUTQOASA-N 2 0 388.512 0.338 20 0 GCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000652361403 1192203836 /nfs/dbraw/zinc/20/38/36/1192203836.db2.gz GOCMHZUGHQVWIZ-FGTMMUONSA-N 2 0 378.517 0.428 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000652469914 1192229057 /nfs/dbraw/zinc/22/90/57/1192229057.db2.gz IDKCESSMDUUCGT-MOPGFXCFSA-N 2 0 393.576 0.415 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000652624317 1192258062 /nfs/dbraw/zinc/25/80/62/1192258062.db2.gz GOQZAYVTABYCSH-SJORKVTESA-N 2 0 392.504 0.128 20 0 GCADRP [NH3+]CCc1nnn(-c2cc(N3CCC[C@@H]([NH3+])C3)nc(Oc3ccccc3)n2)n1 ZINC001167790836 1192257215 /nfs/dbraw/zinc/25/72/15/1192257215.db2.gz OOGMZQLTSACXTR-CYBMUJFWSA-N 2 0 381.444 0.673 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2)C1 ZINC000652626440 1192257999 /nfs/dbraw/zinc/25/79/99/1192257999.db2.gz AAZHMOKCEDNGAD-UXLLHSPISA-N 2 0 398.467 0.373 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(C2CC[NH2+]CC2)no1 ZINC000662559689 1192312555 /nfs/dbraw/zinc/31/25/55/1192312555.db2.gz DIZWOSNZFIFNGR-AWEZNQCLSA-N 2 0 375.395 0.708 20 0 GCADRP OC1CC[NH+](CCCNc2cc(NCCC[NH+]3CCC(O)CC3)ncn2)CC1 ZINC000663402628 1192323431 /nfs/dbraw/zinc/32/34/31/1192323431.db2.gz NZGNDASRICENOW-UHFFFAOYSA-N 3 0 392.548 0.994 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000663445349 1192338593 /nfs/dbraw/zinc/33/85/93/1192338593.db2.gz OBFJPIZXNLCOJY-GOSISDBHSA-N 2 0 377.533 0.821 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000585688557 1192371818 /nfs/dbraw/zinc/37/18/18/1192371818.db2.gz WNBMUHSTGFXTRY-SFHVURJKSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663558327 1192387994 /nfs/dbraw/zinc/38/79/94/1192387994.db2.gz OYRWOBHIQCBUKS-GOSISDBHSA-N 2 0 381.565 0.909 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652668046 1192390159 /nfs/dbraw/zinc/39/01/59/1192390159.db2.gz MCSUNTXQGVTCMZ-FHWLQOOXSA-N 2 0 394.560 0.970 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000585725334 1192398615 /nfs/dbraw/zinc/39/86/15/1192398615.db2.gz MSTFKHSQVGTDCT-GBESFXJTSA-N 2 0 391.560 0.356 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652672385 1192418506 /nfs/dbraw/zinc/41/85/06/1192418506.db2.gz IGUWRKDKUZWVEQ-IPMKNSEASA-N 2 0 394.560 0.970 20 0 GCADRP CCn1nccc1CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000663657013 1192454577 /nfs/dbraw/zinc/45/45/77/1192454577.db2.gz ZMWQFYKJJBDPLR-UHFFFAOYSA-N 2 0 398.511 0.629 20 0 GCADRP Cc1nc(Cn2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn2)no1 ZINC000279081120 1192461011 /nfs/dbraw/zinc/46/10/11/1192461011.db2.gz SAXDSHHECXCSNO-UHFFFAOYSA-N 2 0 378.481 0.363 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000663664656 1192466979 /nfs/dbraw/zinc/46/69/79/1192466979.db2.gz YLOCAPJTZJCLPK-PMACEKPBSA-N 2 0 389.544 0.823 20 0 GCADRP CC1(O)CCN(c2cc(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ncn2)CC1 ZINC000663739853 1192518891 /nfs/dbraw/zinc/51/88/91/1192518891.db2.gz PHJKPJMLOJEXHB-MRXNPFEDSA-N 2 0 388.516 0.746 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000663743156 1192521255 /nfs/dbraw/zinc/52/12/55/1192521255.db2.gz NHRMLHKYLHDJOG-PMACEKPBSA-N 2 0 389.544 0.905 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000669232470 1192571487 /nfs/dbraw/zinc/57/14/87/1192571487.db2.gz LUUWLMYVRSVXKT-QGZVFWFLSA-N 2 0 380.533 0.594 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)CC1 ZINC000112294647 1192601259 /nfs/dbraw/zinc/60/12/59/1192601259.db2.gz JQDMGMAATFCECA-IBGZPJMESA-N 2 0 386.544 0.685 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000512324516 1192604062 /nfs/dbraw/zinc/60/40/62/1192604062.db2.gz UOZIYSFJLOCBSL-GOSISDBHSA-N 2 0 396.557 0.963 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418609354 1192618409 /nfs/dbraw/zinc/61/84/09/1192618409.db2.gz FKPCBSNSUWCQBG-ARFHVFGLSA-N 2 0 385.434 0.877 20 0 GCADRP COC[C@@]1(CNC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000418635040 1192621678 /nfs/dbraw/zinc/62/16/78/1192621678.db2.gz JZTYTHOOCFLQSZ-NSHGMRRFSA-N 2 0 381.565 0.955 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623396 1192621807 /nfs/dbraw/zinc/62/18/07/1192621807.db2.gz XCJRKHKYCQGAPV-CABCVRRESA-N 2 0 395.470 0.575 20 0 GCADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418666549 1192627464 /nfs/dbraw/zinc/62/74/64/1192627464.db2.gz LANWGBJUDFLLGU-QUCCMNQESA-N 2 0 387.528 0.846 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418760120 1192640753 /nfs/dbraw/zinc/64/07/53/1192640753.db2.gz GUIBFVWYYPTWOF-QGZVFWFLSA-N 2 0 391.516 0.447 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418760185 1192640866 /nfs/dbraw/zinc/64/08/66/1192640866.db2.gz GYNZAEZTGVOMKH-BZSNNMDCSA-N 2 0 375.517 0.702 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418760246 1192641052 /nfs/dbraw/zinc/64/10/52/1192641052.db2.gz JWWAQSPSVOHEEH-QRVBRYPASA-N 2 0 375.517 0.072 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1)Cc1ccccc1 ZINC000418794154 1192645656 /nfs/dbraw/zinc/64/56/56/1192645656.db2.gz QYAIIWRUZJUMII-FQEVSTJZSA-N 2 0 389.544 0.824 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCCC1 ZINC000418807620 1192650764 /nfs/dbraw/zinc/65/07/64/1192650764.db2.gz PWTTWPMIWUONNR-MSOLQXFVSA-N 2 0 394.560 0.970 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418802417 1192648974 /nfs/dbraw/zinc/64/89/74/1192648974.db2.gz KIXRBXKDHJCUQT-KRWDZBQOSA-N 2 0 380.533 0.501 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@H](C)C[NH2+]1 ZINC000418802888 1192649000 /nfs/dbraw/zinc/64/90/00/1192649000.db2.gz KQSAOANAQKNHFW-IAGOWNOFSA-N 2 0 380.533 0.594 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418805454 1192649916 /nfs/dbraw/zinc/64/99/16/1192649916.db2.gz NKZXNXTVWZBHCO-ROUUACIJSA-N 2 0 392.544 0.453 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CCCC1 ZINC000418807285 1192650154 /nfs/dbraw/zinc/65/01/54/1192650154.db2.gz PRZOVQBVYFKVIK-QZTJIDSGSA-N 2 0 394.560 0.970 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418807661 1192650702 /nfs/dbraw/zinc/65/07/02/1192650702.db2.gz PYTCPUACXUYQQM-UHFFFAOYSA-N 2 0 382.549 0.829 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[NH+](C)C)cc1 ZINC000418813679 1192653667 /nfs/dbraw/zinc/65/36/67/1192653667.db2.gz JDRHXCTYYPJSKF-PVAVHDDUSA-N 2 0 376.501 0.943 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000418823695 1192656543 /nfs/dbraw/zinc/65/65/43/1192656543.db2.gz CGYDRQNFSUDQIJ-UHOSZYNNSA-N 2 0 388.512 0.589 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000418831377 1192659226 /nfs/dbraw/zinc/65/92/26/1192659226.db2.gz GEQIPCJGIZYPPD-RDJZCZTQSA-N 2 0 390.484 0.134 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[NH+](C)C)cc1OC ZINC000418833342 1192660704 /nfs/dbraw/zinc/66/07/04/1192660704.db2.gz NEZXRACCDNXCRD-MGPUTAFESA-N 2 0 392.500 0.620 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418841969 1192663562 /nfs/dbraw/zinc/66/35/62/1192663562.db2.gz ZKAOYJFUABWBSH-HOCLYGCPSA-N 2 0 392.500 0.539 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000418848162 1192665079 /nfs/dbraw/zinc/66/50/79/1192665079.db2.gz KSEFGOYJSSDSOA-USXIJHARSA-N 2 0 376.501 0.505 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)[NH+](C)C)c1 ZINC000418858105 1192668972 /nfs/dbraw/zinc/66/89/72/1192668972.db2.gz IMXWAQRGRTUUTF-ZVZYQTTQSA-N 2 0 376.501 1.000 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418865700 1192669371 /nfs/dbraw/zinc/66/93/71/1192669371.db2.gz SCOFVGGIYXSSCN-YJBOKZPZSA-N 2 0 376.501 0.920 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCO1 ZINC000418857919 1192669424 /nfs/dbraw/zinc/66/94/24/1192669424.db2.gz IEKSIWWSFCQAER-LSDHHAIUSA-N 2 0 380.514 0.577 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418865693 1192669434 /nfs/dbraw/zinc/66/94/34/1192669434.db2.gz SCOFVGGIYXSSCN-MAUKXSAKSA-N 2 0 376.501 0.920 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418860664 1192670828 /nfs/dbraw/zinc/67/08/28/1192670828.db2.gz MADAYNUNHZMJCQ-GUDVDZBRSA-N 2 0 388.512 0.904 20 0 GCADRP [NH3+]C1CCC(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000418862801 1192671500 /nfs/dbraw/zinc/67/15/00/1192671500.db2.gz OQSHMZWIOBMOHW-UHFFFAOYSA-N 2 0 387.528 0.307 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000418862839 1192671537 /nfs/dbraw/zinc/67/15/37/1192671537.db2.gz OXMFYMCSTMMJNA-ARFHVFGLSA-N 2 0 394.541 0.966 20 0 GCADRP C[C@@H]([NH2+]C1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCCC1)c1ccccc1 ZINC000418862721 1192671575 /nfs/dbraw/zinc/67/15/75/1192671575.db2.gz ICRKYVMVURYMON-MRXNPFEDSA-N 2 0 376.501 0.546 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418863284 1192671765 /nfs/dbraw/zinc/67/17/65/1192671765.db2.gz PGLDNOPIQWIOJG-HFTRVMKXSA-N 2 0 376.501 0.918 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)[NH+](C)C)c1 ZINC000418863331 1192671817 /nfs/dbraw/zinc/67/18/17/1192671817.db2.gz PIFPNCURUDHPNQ-XLIONFOSSA-N 2 0 376.501 0.920 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000418865341 1192672096 /nfs/dbraw/zinc/67/20/96/1192672096.db2.gz RLOVGWJJMVARRG-QZTJIDSGSA-N 2 0 387.528 0.129 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418863779 1192672315 /nfs/dbraw/zinc/67/23/15/1192672315.db2.gz PTRRNFBKCRBRED-IEBWSBKVSA-N 2 0 387.528 0.116 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)[NH+](C)C)c1 ZINC000418868382 1192672732 /nfs/dbraw/zinc/67/27/32/1192672732.db2.gz VXPBBYNULQSWMQ-KSSFIOAISA-N 2 0 376.501 1.000 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000418880949 1192678126 /nfs/dbraw/zinc/67/81/26/1192678126.db2.gz QDUCQWCOBVPDRZ-RBUKOAKNSA-N 2 0 388.512 0.503 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000418880947 1192678149 /nfs/dbraw/zinc/67/81/49/1192678149.db2.gz QDUCQWCOBVPDRZ-OALUTQOASA-N 2 0 388.512 0.503 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418878720 1192674754 /nfs/dbraw/zinc/67/47/54/1192674754.db2.gz MAODHKJUDBXURG-OALUTQOASA-N 2 0 390.528 0.701 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418875654 1192675306 /nfs/dbraw/zinc/67/53/06/1192675306.db2.gz DRXGNLNWNHZEHW-IPELMVKDSA-N 2 0 388.512 0.503 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418884171 1192679441 /nfs/dbraw/zinc/67/94/41/1192679441.db2.gz WGJXAMOZYZIJRS-OALUTQOASA-N 2 0 388.512 0.470 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418904454 1192685050 /nfs/dbraw/zinc/68/50/50/1192685050.db2.gz JFBAVSZUKGUCAZ-KRWDZBQOSA-N 2 0 390.553 0.965 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000418913429 1192689964 /nfs/dbraw/zinc/68/99/64/1192689964.db2.gz DYPLHVYSYZOFQJ-OTWHNJEPSA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000418927323 1192693162 /nfs/dbraw/zinc/69/31/62/1192693162.db2.gz SOQCTASYYQTXTP-ZWKOTPCHSA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000418928730 1192693597 /nfs/dbraw/zinc/69/35/97/1192693597.db2.gz VMHOPHVLSAYZTJ-GOSISDBHSA-N 2 0 376.501 0.447 20 0 GCADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)([NH+](C)C)C1 ZINC000418927552 1192693749 /nfs/dbraw/zinc/69/37/49/1192693749.db2.gz VRAMANLFQUEXRB-OXJNMPFZSA-N 2 0 382.549 0.970 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000418929353 1192694132 /nfs/dbraw/zinc/69/41/32/1192694132.db2.gz FDCBMUBVHHWMJX-OALUTQOASA-N 2 0 388.512 0.762 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000418931748 1192694367 /nfs/dbraw/zinc/69/43/67/1192694367.db2.gz HKJLNNPOHLVVPE-GOSISDBHSA-N 2 0 388.512 0.781 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000418913428 1192690268 /nfs/dbraw/zinc/69/02/68/1192690268.db2.gz DYPLHVYSYZOFQJ-IPMKNSEASA-N 2 0 394.560 0.840 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c2ccccc2)CC1 ZINC000418944265 1192696717 /nfs/dbraw/zinc/69/67/17/1192696717.db2.gz MDADKXZWUPIFJU-SFHVURJKSA-N 2 0 376.501 0.355 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)Cc1ccccc1 ZINC000418945192 1192697295 /nfs/dbraw/zinc/69/72/95/1192697295.db2.gz PCQAFBUYNOWFQY-GOSISDBHSA-N 2 0 399.499 0.149 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000418948850 1192699041 /nfs/dbraw/zinc/69/90/41/1192699041.db2.gz OVUKFKYSXABQLV-YQQAZPJKSA-N 2 0 376.501 0.852 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418959369 1192699837 /nfs/dbraw/zinc/69/98/37/1192699837.db2.gz ZSOXCCQIZYTKHR-KZNAEPCWSA-N 2 0 394.560 0.765 20 0 GCADRP C[C@@]1(CNC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000418958187 1192701664 /nfs/dbraw/zinc/70/16/64/1192701664.db2.gz FRKQXOPPDLVCNV-FQEVSTJZSA-N 2 0 388.512 0.639 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)ccn1 ZINC000418955821 1192701862 /nfs/dbraw/zinc/70/18/62/1192701862.db2.gz QXMUXVOLPBOICN-INIZCTEOSA-N 2 0 377.489 0.272 20 0 GCADRP C[NH2+]CCC1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000418959468 1192702375 /nfs/dbraw/zinc/70/23/75/1192702375.db2.gz ZZFKFXVGAZYHTI-UHFFFAOYSA-N 2 0 391.516 0.486 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000418964644 1192704423 /nfs/dbraw/zinc/70/44/23/1192704423.db2.gz NKSVBYNCVLOEJX-LPHOPBHVSA-N 2 0 388.512 0.973 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418966799 1192705018 /nfs/dbraw/zinc/70/50/18/1192705018.db2.gz QYAUWHFCUVQZHA-SFHVURJKSA-N 2 0 388.512 0.988 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000418970558 1192707200 /nfs/dbraw/zinc/70/72/00/1192707200.db2.gz WSFBBTMQOXTIDG-CBVHJVASSA-N 2 0 388.512 0.856 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000418995848 1192713167 /nfs/dbraw/zinc/71/31/67/1192713167.db2.gz JFIHJFPRYIFBHU-RTBURBONSA-N 2 0 394.560 0.970 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000418995490 1192713244 /nfs/dbraw/zinc/71/32/44/1192713244.db2.gz JBDPJTZDCKQEQA-OALUTQOASA-N 2 0 394.560 0.970 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000418995843 1192713342 /nfs/dbraw/zinc/71/33/42/1192713342.db2.gz JFIHJFPRYIFBHU-OALUTQOASA-N 2 0 394.560 0.970 20 0 GCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000419011054 1192717300 /nfs/dbraw/zinc/71/73/00/1192717300.db2.gz RLGBBGCGLXANJB-GOSISDBHSA-N 2 0 376.501 0.721 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000419003624 1192714444 /nfs/dbraw/zinc/71/44/44/1192714444.db2.gz DHVCONLKSHUTJJ-MOPGFXCFSA-N 2 0 388.512 0.863 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000419013269 1192718681 /nfs/dbraw/zinc/71/86/81/1192718681.db2.gz ATKKKCLUNJVNTJ-MSOLQXFVSA-N 2 0 376.501 0.719 20 0 GCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000419021044 1192726340 /nfs/dbraw/zinc/72/63/40/1192726340.db2.gz AQIIQMVMXXJUGO-QZTJIDSGSA-N 2 0 375.517 0.288 20 0 GCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419026151 1192727324 /nfs/dbraw/zinc/72/73/24/1192727324.db2.gz ZYWLRKMRCPCCLB-GOSISDBHSA-N 2 0 376.501 0.721 20 0 GCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)c3cn(C4CC[NH2+]CC4)nn3)cc2)CC1 ZINC000237089511 1192729265 /nfs/dbraw/zinc/72/92/65/1192729265.db2.gz DLEJQGFHYPYVQU-UHFFFAOYSA-N 2 0 397.527 0.880 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000419041115 1192739230 /nfs/dbraw/zinc/73/92/30/1192739230.db2.gz XVCAPFCEPAPLDP-OAHLLOKOSA-N 2 0 384.546 0.040 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000419037590 1192735733 /nfs/dbraw/zinc/73/57/33/1192735733.db2.gz ISEOBXFLURUZNI-RCCFBDPRSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419041458 1192738826 /nfs/dbraw/zinc/73/88/26/1192738826.db2.gz KBDKCXQJLICZBW-QGZVFWFLSA-N 2 0 382.549 0.886 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])[C@@H](C)C1 ZINC000419042395 1192740107 /nfs/dbraw/zinc/74/01/07/1192740107.db2.gz OZBQCNWFHALHMY-XLAORIBOSA-N 2 0 382.549 0.968 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419057736 1192751171 /nfs/dbraw/zinc/75/11/71/1192751171.db2.gz ORECFWSIIGTBBP-GUDVDZBRSA-N 2 0 388.512 0.447 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419055414 1192751758 /nfs/dbraw/zinc/75/17/58/1192751758.db2.gz JNTFPFKNZCPSRG-RTBURBONSA-N 2 0 388.512 0.462 20 0 GCADRP C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000419057549 1192755121 /nfs/dbraw/zinc/75/51/21/1192755121.db2.gz AMAPYTOBVZBBMM-GJZGRUSLSA-N 2 0 388.512 0.910 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000419067856 1192764220 /nfs/dbraw/zinc/76/42/20/1192764220.db2.gz GYXLEOLHCVWEGY-AWEZNQCLSA-N 2 0 381.908 0.432 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000410626360 1192770956 /nfs/dbraw/zinc/77/09/56/1192770956.db2.gz ZEAHWXIQFKXEFG-LMMKCTJWSA-N 2 0 392.544 0.783 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419077774 1192776154 /nfs/dbraw/zinc/77/61/54/1192776154.db2.gz JRUABXYVGFMGES-IRXDYDNUSA-N 2 0 391.520 0.281 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238094642 1192781751 /nfs/dbraw/zinc/78/17/51/1192781751.db2.gz GGSHXUCMVTWSKG-UHFFFAOYSA-N 2 0 397.527 0.750 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098724 1192785591 /nfs/dbraw/zinc/78/55/91/1192785591.db2.gz HGSKJJLCZGVBRI-PBHICJAKSA-N 2 0 380.439 0.737 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000419103234 1192791689 /nfs/dbraw/zinc/79/16/89/1192791689.db2.gz JNWOKQFOLIFNFS-GOSISDBHSA-N 2 0 390.528 0.756 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000500784245 1192787407 /nfs/dbraw/zinc/78/74/07/1192787407.db2.gz YNPIGAFIAYZDDU-IRXDYDNUSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c1cccc(C(F)(F)F)c1 ZINC000419108676 1192790631 /nfs/dbraw/zinc/79/06/31/1192790631.db2.gz MANIPBBWSYHLNY-CQSZACIVSA-N 2 0 390.406 0.204 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419123251 1192795284 /nfs/dbraw/zinc/79/52/84/1192795284.db2.gz YALPQBUVXZEHET-QGZVFWFLSA-N 2 0 390.532 0.281 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000419123911 1192795882 /nfs/dbraw/zinc/79/58/82/1192795882.db2.gz HJCLMVFSSBSJLE-KZNAEPCWSA-N 2 0 382.549 0.968 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000419128191 1192797868 /nfs/dbraw/zinc/79/78/68/1192797868.db2.gz VNHDPVLPYMVVQM-IBGZPJMESA-N 2 0 395.592 0.803 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000419128390 1192798372 /nfs/dbraw/zinc/79/83/72/1192798372.db2.gz ARTMPSGUMRLNTL-IBGZPJMESA-N 2 0 388.512 0.877 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000419130938 1192805821 /nfs/dbraw/zinc/80/58/21/1192805821.db2.gz BOMKIHMQWDMRFK-WBVHZDCISA-N 2 0 376.501 0.687 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000410673325 1192806878 /nfs/dbraw/zinc/80/68/78/1192806878.db2.gz JTWAFLONLBSHCM-FUHWJXTLSA-N 2 0 382.549 0.744 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)CC1 ZINC000410673321 1192806905 /nfs/dbraw/zinc/80/69/05/1192806905.db2.gz JTWAFLONLBSHCM-AEFFLSMTSA-N 2 0 382.549 0.744 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000419136570 1192807982 /nfs/dbraw/zinc/80/79/82/1192807982.db2.gz PKPNIPRGGFIAGB-MRXNPFEDSA-N 2 0 388.512 0.844 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)(C)C ZINC000419135853 1192808175 /nfs/dbraw/zinc/80/81/75/1192808175.db2.gz NYESZFDIFAYVOW-CVEARBPZSA-N 2 0 397.564 0.315 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC000410676908 1192810490 /nfs/dbraw/zinc/81/04/90/1192810490.db2.gz PZZWNFKDYVSHJC-RYRKJORJSA-N 2 0 379.549 0.022 20 0 GCADRP CSCCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419141751 1192813011 /nfs/dbraw/zinc/81/30/11/1192813011.db2.gz FUZNJMOWIDUINN-UHFFFAOYSA-N 2 0 378.542 0.965 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000419144488 1192814125 /nfs/dbraw/zinc/81/41/25/1192814125.db2.gz GYCRMPCTIUABMZ-HNNXBMFYSA-N 2 0 376.501 0.829 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419146667 1192815280 /nfs/dbraw/zinc/81/52/80/1192815280.db2.gz HPHBVQOMKQFZQP-KRWDZBQOSA-N 2 0 390.532 0.281 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419155677 1192816250 /nfs/dbraw/zinc/81/62/50/1192816250.db2.gz UFNXGCXUKBPQMQ-SIIHOXLZSA-N 2 0 392.450 0.879 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419159513 1192817851 /nfs/dbraw/zinc/81/78/51/1192817851.db2.gz ZKISHVOVYJYFAH-BPQIPLTHSA-N 2 0 388.512 0.748 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419157821 1192817873 /nfs/dbraw/zinc/81/78/73/1192817873.db2.gz WSAWLOOEDFFHSC-MRXNPFEDSA-N 2 0 376.501 0.749 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419162139 1192820410 /nfs/dbraw/zinc/82/04/10/1192820410.db2.gz TUVYBBNSFLHWGG-QGZVFWFLSA-N 2 0 388.516 0.050 20 0 GCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419167224 1192823328 /nfs/dbraw/zinc/82/33/28/1192823328.db2.gz IFMGXXTWNLIYFP-UFYCRDLUSA-N 2 0 384.524 0.735 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H](C)C[NH2+]1 ZINC000419172322 1192825799 /nfs/dbraw/zinc/82/57/99/1192825799.db2.gz YXUMGLOSRFJFJF-LMMKCTJWSA-N 2 0 388.512 0.603 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000419177689 1192829656 /nfs/dbraw/zinc/82/96/56/1192829656.db2.gz FBQIEZVVHUHVKJ-FGTMMUONSA-N 2 0 380.533 0.864 20 0 GCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419192578 1192830870 /nfs/dbraw/zinc/83/08/70/1192830870.db2.gz PIPISSKVHHREAT-OALUTQOASA-N 2 0 384.524 0.878 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419197167 1192836812 /nfs/dbraw/zinc/83/68/12/1192836812.db2.gz XSOJDGXLBFSLAH-VQIMIIECSA-N 2 0 388.512 0.863 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])ccn2)CC1 ZINC000419204590 1192845681 /nfs/dbraw/zinc/84/56/81/1192845681.db2.gz JGEJKYUEQJEZLI-DLBZAZTESA-N 2 0 388.516 0.083 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000419203914 1192850091 /nfs/dbraw/zinc/85/00/91/1192850091.db2.gz OLGSCFGXWTZMEG-SJLPKXTDSA-N 2 0 376.501 0.589 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893742960 1192847999 /nfs/dbraw/zinc/84/79/99/1192847999.db2.gz NPJHTLDQKMTBGZ-HCXYKTFWSA-N 2 0 380.533 0.605 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419205571 1192852150 /nfs/dbraw/zinc/85/21/50/1192852150.db2.gz JGUMATPUNZCJSF-JQHSSLGASA-N 2 0 388.512 0.996 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410724707 1192854323 /nfs/dbraw/zinc/85/43/23/1192854323.db2.gz LNUUXRDLVPHCSX-ULQDDVLXSA-N 2 0 382.549 0.621 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000419205275 1192854714 /nfs/dbraw/zinc/85/47/14/1192854714.db2.gz JQIANSAYLYRFPS-INIZCTEOSA-N 2 0 376.501 0.749 20 0 GCADRP CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)c2)CC1 ZINC000419211586 1192895813 /nfs/dbraw/zinc/89/58/13/1192895813.db2.gz XGNBKYRVMRZKJR-LJQANCHMSA-N 2 0 388.512 0.639 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419211320 1192896071 /nfs/dbraw/zinc/89/60/71/1192896071.db2.gz XBAYYNUMQDCKOF-QGZVFWFLSA-N 2 0 388.516 0.050 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000419214466 1192905041 /nfs/dbraw/zinc/90/50/41/1192905041.db2.gz MPGJAZJJDKLLGF-WBVHZDCISA-N 2 0 376.501 0.748 20 0 GCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000410813859 1192905595 /nfs/dbraw/zinc/90/55/95/1192905595.db2.gz XIBJQWPTRLQFEB-UHFFFAOYSA-N 2 0 382.549 0.890 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410907589 1192914282 /nfs/dbraw/zinc/91/42/82/1192914282.db2.gz DQTQVPLGCNLLTR-GOSISDBHSA-N 2 0 382.549 0.748 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000419214983 1192915264 /nfs/dbraw/zinc/91/52/64/1192915264.db2.gz NNGIXTQZNCBNHI-FCEWJHQRSA-N 2 0 388.512 0.719 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)CC2)CC1 ZINC000663877086 1192917765 /nfs/dbraw/zinc/91/77/65/1192917765.db2.gz QRZSAOXTZLLJFV-FQEVSTJZSA-N 2 0 393.576 0.786 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2)CC1 ZINC000274556838 1184099255 /nfs/dbraw/zinc/09/92/55/1184099255.db2.gz WDZACEALQNKNFY-FQEVSTJZSA-N 2 0 391.516 0.196 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC000654730174 1184109689 /nfs/dbraw/zinc/10/96/89/1184109689.db2.gz MNONUMVAQYVSNR-FGTMMUONSA-N 2 0 377.533 0.951 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)CC1 ZINC000643544147 1184152780 /nfs/dbraw/zinc/15/27/80/1184152780.db2.gz PWTNCMHYINTUCU-QZTJIDSGSA-N 2 0 391.560 0.071 20 0 GCADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000557264643 1184214476 /nfs/dbraw/zinc/21/44/76/1184214476.db2.gz VELADNIVTALSJQ-UHFFFAOYSA-N 2 0 395.592 0.711 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cn1 ZINC000654966892 1184228004 /nfs/dbraw/zinc/22/80/04/1184228004.db2.gz QWZDQCPFEWFNPR-KRWDZBQOSA-N 2 0 392.504 0.097 20 0 GCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418799521 1184255561 /nfs/dbraw/zinc/25/55/61/1184255561.db2.gz IDDRIXGLPOPSOJ-IRXDYDNUSA-N 2 0 380.533 0.771 20 0 GCADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000643576919 1184256528 /nfs/dbraw/zinc/25/65/28/1184256528.db2.gz LVONKFDDHKEKQR-RBUKOAKNSA-N 2 0 387.528 0.068 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000643577487 1184257063 /nfs/dbraw/zinc/25/70/63/1184257063.db2.gz KZZJHOJBGQDIJA-SFHVURJKSA-N 2 0 379.549 0.202 20 0 GCADRP CC(C)[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000109166238 1184331177 /nfs/dbraw/zinc/33/11/77/1184331177.db2.gz UNHYPDYNKLGBRR-RBUKOAKNSA-N 2 0 383.581 0.650 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000179449853 1184384693 /nfs/dbraw/zinc/38/46/93/1184384693.db2.gz VFARITUUHCCCBE-LJQANCHMSA-N 2 0 377.533 0.948 20 0 GCADRP CCOC[C@H]1C(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)N1C ZINC000683282982 1184472588 /nfs/dbraw/zinc/47/25/88/1184472588.db2.gz VAZOHTILFJSYOS-KRWDZBQOSA-N 2 0 375.473 0.893 20 0 GCADRP C[N@@H+]1CC[C@H]2OCCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@H]2C1 ZINC000332767660 1184746116 /nfs/dbraw/zinc/74/61/16/1184746116.db2.gz GUJSRPFGPANXNF-RBUKOAKNSA-N 2 0 394.560 0.543 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176261612 1184767594 /nfs/dbraw/zinc/76/75/94/1184767594.db2.gz DEWBOQNVEOWWNG-ROUUACIJSA-N 2 0 380.533 0.851 20 0 GCADRP CC(C)OCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143378930 1184819801 /nfs/dbraw/zinc/81/98/01/1184819801.db2.gz HDUAHEKTQOYHKJ-FTAMUGHTSA-N 2 0 389.537 0.707 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N(CCO)C1CCOCC1 ZINC000275647271 1184855576 /nfs/dbraw/zinc/85/55/76/1184855576.db2.gz KBYFOSLEFNVGCJ-UHFFFAOYSA-N 2 0 391.516 0.777 20 0 GCADRP OC(CN1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000683666899 1184870873 /nfs/dbraw/zinc/87/08/73/1184870873.db2.gz JPKATKNXKBKDNM-UHFFFAOYSA-N 3 0 382.512 0.782 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000579980254 1184877070 /nfs/dbraw/zinc/87/70/70/1184877070.db2.gz QQJZHQXXRXHUFQ-DLBZAZTESA-N 2 0 395.548 0.069 20 0 GCADRP CCN(C)C(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000579996248 1184895606 /nfs/dbraw/zinc/89/56/06/1184895606.db2.gz SSKUXFWKCXTWAL-UHFFFAOYSA-N 2 0 384.546 0.892 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000579996606 1184895809 /nfs/dbraw/zinc/89/58/09/1184895809.db2.gz FBNFITLDXVRAOV-JFRXWTBNSA-N 2 0 394.560 0.717 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656027584 1184962660 /nfs/dbraw/zinc/96/26/60/1184962660.db2.gz DNOAJUHTZFRYGQ-AKHDSKFASA-N 2 0 392.544 0.864 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000656063915 1184996566 /nfs/dbraw/zinc/99/65/66/1184996566.db2.gz IGJXBMZFHDYZJZ-UHFFFAOYSA-N 2 0 394.560 0.890 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000118897943 1185037383 /nfs/dbraw/zinc/03/73/83/1185037383.db2.gz FAVXFDGTCRLBGQ-GOSISDBHSA-N 2 0 387.528 0.831 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275801781 1185084112 /nfs/dbraw/zinc/08/41/12/1185084112.db2.gz DBXPONHKZLGJCY-MRXNPFEDSA-N 2 0 378.521 0.850 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580173953 1185104313 /nfs/dbraw/zinc/10/43/13/1185104313.db2.gz DNNVOUQQHKMSIL-RBUKOAKNSA-N 2 0 389.544 0.581 20 0 GCADRP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000569330099 1185121793 /nfs/dbraw/zinc/12/17/93/1185121793.db2.gz BVDDSLITPYGXQF-INIZCTEOSA-N 2 0 386.496 0.842 20 0 GCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000275872441 1185202636 /nfs/dbraw/zinc/20/26/36/1185202636.db2.gz JYBNPMRGUTVNQN-UHFFFAOYSA-N 2 0 391.516 0.115 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000580569624 1185278088 /nfs/dbraw/zinc/27/80/88/1185278088.db2.gz YINMLKOFYPLYIM-INIZCTEOSA-N 2 0 376.505 0.021 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000580737289 1185320596 /nfs/dbraw/zinc/32/05/96/1185320596.db2.gz PMCAXUQLCVLVFL-OALUTQOASA-N 2 0 394.560 0.813 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000656299815 1185364425 /nfs/dbraw/zinc/36/44/25/1185364425.db2.gz CJDPCKCBSXWCSS-GOSISDBHSA-N 2 0 395.592 0.709 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCN(C)CC1 ZINC000656299956 1185366168 /nfs/dbraw/zinc/36/61/68/1185366168.db2.gz FZGUJXYBQONPQO-KURKYZTESA-N 2 0 379.549 0.119 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000656300995 1185367617 /nfs/dbraw/zinc/36/76/17/1185367617.db2.gz WUVWYNNJWMXIGJ-QGZVFWFLSA-N 2 0 381.565 0.319 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656300664 1185367830 /nfs/dbraw/zinc/36/78/30/1185367830.db2.gz SHHXXVFJSJPPKN-CEXWTWQISA-N 2 0 393.576 0.509 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656312107 1185389634 /nfs/dbraw/zinc/38/96/34/1185389634.db2.gz SKQAUXPDZAYVBA-MSOLQXFVSA-N 2 0 392.544 0.881 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)C2)CC1 ZINC000580938444 1185434321 /nfs/dbraw/zinc/43/43/21/1185434321.db2.gz ILZGTSQOSIMWSV-GOSISDBHSA-N 2 0 393.576 0.556 20 0 GCADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000642796500 1185434329 /nfs/dbraw/zinc/43/43/29/1185434329.db2.gz OSGUYHBXUQUIQL-FRQCXROJSA-N 2 0 388.512 0.903 20 0 GCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419356797 1185442873 /nfs/dbraw/zinc/44/28/73/1185442873.db2.gz NLRXBHMLLYYOIO-IRXDYDNUSA-N 3 0 388.516 0.096 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656353380 1185447105 /nfs/dbraw/zinc/44/71/05/1185447105.db2.gz ANRYNDQYNAJILU-MSOLQXFVSA-N 2 0 380.533 0.689 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000580966299 1185452193 /nfs/dbraw/zinc/45/21/93/1185452193.db2.gz PRSSWDVGDXPLRJ-LJQANCHMSA-N 2 0 393.576 0.604 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656356879 1185456477 /nfs/dbraw/zinc/45/64/77/1185456477.db2.gz HUZHPNAHEBGSSR-IPMKNSEASA-N 2 0 392.544 0.690 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356462 1185457144 /nfs/dbraw/zinc/45/71/44/1185457144.db2.gz DMTIKFPNOMEVQD-YTQUADARSA-N 2 0 392.544 0.831 20 0 GCADRP COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000656360776 1185465444 /nfs/dbraw/zinc/46/54/44/1185465444.db2.gz IKJVQPYFUQMRFD-INIZCTEOSA-N 2 0 392.500 0.587 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000581062894 1185482802 /nfs/dbraw/zinc/48/28/02/1185482802.db2.gz QXOSAPUMCROVNN-KRWDZBQOSA-N 2 0 381.565 0.223 20 0 GCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419415956 1185505855 /nfs/dbraw/zinc/50/58/55/1185505855.db2.gz IOCNHIWHPZAVPK-ZWKOTPCHSA-N 2 0 387.528 0.701 20 0 GCADRP Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000684150343 1185506886 /nfs/dbraw/zinc/50/68/86/1185506886.db2.gz ULMNPZYJCQPYPA-OAHLLOKOSA-N 2 0 394.520 0.204 20 0 GCADRP Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000684150342 1185507230 /nfs/dbraw/zinc/50/72/30/1185507230.db2.gz ULMNPZYJCQPYPA-HNNXBMFYSA-N 2 0 394.520 0.204 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133163 1185509759 /nfs/dbraw/zinc/50/97/59/1185509759.db2.gz ZDEHFEBDGNRYBH-ZWKOTPCHSA-N 3 0 375.517 0.192 20 0 GCADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)CC1 ZINC000558216920 1185531398 /nfs/dbraw/zinc/53/13/98/1185531398.db2.gz JPPYDNZZDQGZTC-OALUTQOASA-N 2 0 393.576 0.319 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000276073530 1185547207 /nfs/dbraw/zinc/54/72/07/1185547207.db2.gz SVRNXCDOXGNEEA-AWEZNQCLSA-N 2 0 378.477 0.298 20 0 GCADRP CCc1nn(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000276096685 1185569511 /nfs/dbraw/zinc/56/95/11/1185569511.db2.gz VVAJPWWRBSVJEI-OAHLLOKOSA-N 2 0 378.521 0.796 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581299809 1185573828 /nfs/dbraw/zinc/57/38/28/1185573828.db2.gz HXCFXTHZPYTMSU-SJORKVTESA-N 2 0 377.533 0.857 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581313514 1185586403 /nfs/dbraw/zinc/58/64/03/1185586403.db2.gz IRMHWWRZWMJFCU-USXIJHARSA-N 2 0 398.515 0.071 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562075 1185606013 /nfs/dbraw/zinc/60/60/13/1185606013.db2.gz CHSZLABHLAQITL-GJZGRUSLSA-N 2 0 386.504 0.071 20 0 GCADRP C[C@](C[NH3+])([NH2+]CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000430565907 1185610757 /nfs/dbraw/zinc/61/07/57/1185610757.db2.gz BLGZKUVKRRFVDV-GOSISDBHSA-N 2 0 383.514 0.803 20 0 GCADRP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1C ZINC001104345488 1185612790 /nfs/dbraw/zinc/61/27/90/1185612790.db2.gz IWFKHKZTCNGTJP-QBPKDAKJSA-N 2 0 392.548 0.671 20 0 GCADRP CCn1nc(C)c(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346799 1185618369 /nfs/dbraw/zinc/61/83/69/1185618369.db2.gz JSCMAQHPWJOIOC-FXRXJOCMSA-N 2 0 392.548 0.900 20 0 GCADRP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346972 1185619545 /nfs/dbraw/zinc/61/95/45/1185619545.db2.gz NUZDROALXBIZFT-BRSBDYLESA-N 2 0 382.549 0.696 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430595216 1185667421 /nfs/dbraw/zinc/66/74/21/1185667421.db2.gz HMZAFDBOAQGDOT-ZBFHGGJFSA-N 2 0 382.530 0.442 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430598346 1185677437 /nfs/dbraw/zinc/67/74/37/1185677437.db2.gz CTROUHJSVSBUIS-QZTJIDSGSA-N 2 0 387.528 0.511 20 0 GCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000581434305 1185688779 /nfs/dbraw/zinc/68/87/79/1185688779.db2.gz QRJLSWLGFZLGRV-NRFANRHFSA-N 3 0 376.545 0.917 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000581440820 1185691530 /nfs/dbraw/zinc/69/15/30/1185691530.db2.gz SDQAKJPXTLWPPI-GBESFXJTSA-N 2 0 385.512 0.850 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000072067275 1185699445 /nfs/dbraw/zinc/69/94/45/1185699445.db2.gz PZTZCJCUKPURAD-INIZCTEOSA-N 2 0 382.530 0.822 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891414154 1185722972 /nfs/dbraw/zinc/72/29/72/1185722972.db2.gz GHCKHBXTUWASLW-HMDCTGQHSA-N 2 0 379.505 0.683 20 0 GCADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607452 1185729417 /nfs/dbraw/zinc/72/94/17/1185729417.db2.gz CFXJUAFYDBKLIT-CVEARBPZSA-N 2 0 393.532 0.677 20 0 GCADRP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000581536037 1185747129 /nfs/dbraw/zinc/74/71/29/1185747129.db2.gz ADGKBOAELZONRE-UHFFFAOYSA-N 2 0 391.516 0.319 20 0 GCADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609594 1185752346 /nfs/dbraw/zinc/75/23/46/1185752346.db2.gz HQJLIQNYECLHTO-STQMWFEESA-N 2 0 379.436 0.649 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)cn2)CC1 ZINC000581545832 1185753897 /nfs/dbraw/zinc/75/38/97/1185753897.db2.gz FISBMYOGEPWHHP-GOSISDBHSA-N 2 0 383.500 0.884 20 0 GCADRP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430611704 1185758309 /nfs/dbraw/zinc/75/83/09/1185758309.db2.gz PPSGYXNNZZIGIA-KGLIPLIRSA-N 2 0 378.473 0.818 20 0 GCADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430612404 1185765635 /nfs/dbraw/zinc/76/56/35/1185765635.db2.gz REUVRTDWNQWTGQ-INIZCTEOSA-N 2 0 392.500 0.449 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)O1 ZINC001022017254 1185769750 /nfs/dbraw/zinc/76/97/50/1185769750.db2.gz FEURGQHEDIEWBB-YYIAUSFCSA-N 2 0 378.517 0.249 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)O1 ZINC001022017146 1185770582 /nfs/dbraw/zinc/77/05/82/1185770582.db2.gz CFKPTERQJGHGBR-QXCFHYIPSA-N 2 0 392.544 0.497 20 0 GCADRP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)CC2)c1 ZINC000430614346 1185774244 /nfs/dbraw/zinc/77/42/44/1185774244.db2.gz YHVJCNHTASCWOQ-SFHVURJKSA-N 2 0 387.528 0.431 20 0 GCADRP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430615591 1185778579 /nfs/dbraw/zinc/77/85/79/1185778579.db2.gz CJFBUDBVODXETK-KRWDZBQOSA-N 2 0 394.541 0.581 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581597869 1185780672 /nfs/dbraw/zinc/78/06/72/1185780672.db2.gz IEVJWFOLXDHOGG-BHIYHBOVSA-N 2 0 387.528 0.115 20 0 GCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000276381321 1185781585 /nfs/dbraw/zinc/78/15/85/1185781585.db2.gz OHBJFYQTGKVCCO-GOSISDBHSA-N 2 0 375.517 0.829 20 0 GCADRP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615231 1185782749 /nfs/dbraw/zinc/78/27/49/1185782749.db2.gz BGVZIMCTUMPHDY-GJZGRUSLSA-N 2 0 392.500 0.668 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000581622078 1185791664 /nfs/dbraw/zinc/79/16/64/1185791664.db2.gz SFUZVRGXDHHNKL-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430622580 1185800898 /nfs/dbraw/zinc/80/08/98/1185800898.db2.gz FRWXHRMNMIVBMO-KRWDZBQOSA-N 2 0 376.476 0.928 20 0 GCADRP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430629483 1185817566 /nfs/dbraw/zinc/81/75/66/1185817566.db2.gz QFBGGCXSUBFRAH-QGZVFWFLSA-N 2 0 376.501 0.585 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC(C)(C)CO2)C[C@H]1C[NH+](C)C ZINC000933356796 1185818374 /nfs/dbraw/zinc/81/83/74/1185818374.db2.gz RNHDMJQFXNGSQG-KURKYZTESA-N 2 0 396.576 0.896 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1ccc(F)cc1 ZINC000430632678 1185822567 /nfs/dbraw/zinc/82/25/67/1185822567.db2.gz ZAPYDTANZAFCHY-INIZCTEOSA-N 2 0 392.475 0.465 20 0 GCADRP COCCC1(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000891445866 1185825646 /nfs/dbraw/zinc/82/56/46/1185825646.db2.gz LYJBWICHLIAESP-UHFFFAOYSA-N 2 0 390.532 0.791 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc2c(c1)OCO2 ZINC000430636479 1185834842 /nfs/dbraw/zinc/83/48/42/1185834842.db2.gz JHQLDCQUGNGUAL-INIZCTEOSA-N 2 0 388.468 0.175 20 0 GCADRP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000430640705 1185843370 /nfs/dbraw/zinc/84/33/70/1185843370.db2.gz HQZKQNBBMUCWGA-OAHLLOKOSA-N 2 0 375.473 0.738 20 0 GCADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642203 1185854673 /nfs/dbraw/zinc/85/46/73/1185854673.db2.gz ODQPKYJHWOPUCC-GOSISDBHSA-N 2 0 388.512 0.498 20 0 GCADRP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430642394 1185854902 /nfs/dbraw/zinc/85/49/02/1185854902.db2.gz KECOPALFPDDIKA-SJLPKXTDSA-N 2 0 386.496 0.944 20 0 GCADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000581734417 1185870996 /nfs/dbraw/zinc/87/09/96/1185870996.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 0 384.609 0.931 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891483488 1185887412 /nfs/dbraw/zinc/88/74/12/1185887412.db2.gz QJMXKGGCZLWFDW-ZIAGYGMSSA-N 2 0 375.464 0.473 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484809 1185888215 /nfs/dbraw/zinc/88/82/15/1185888215.db2.gz YDLXDBQEJHTVLN-IAGOWNOFSA-N 2 0 395.548 0.387 20 0 GCADRP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430657323 1185896583 /nfs/dbraw/zinc/89/65/83/1185896583.db2.gz VOMZHVYJPMRTQP-ZDUSSCGKSA-N 2 0 382.892 0.752 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891511600 1185900739 /nfs/dbraw/zinc/90/07/39/1185900739.db2.gz DEBDQQUKENQNPH-YLJYHZDGSA-N 2 0 387.532 0.963 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891563292 1185921666 /nfs/dbraw/zinc/92/16/66/1185921666.db2.gz COPJBOHYYWNLFH-AZUAARDMSA-N 2 0 379.549 0.568 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C(F)(F)F ZINC000891567082 1185922458 /nfs/dbraw/zinc/92/24/58/1185922458.db2.gz VKBGPMIIIDTDMJ-KFWWJZLASA-N 2 0 393.454 0.172 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCN4CCOCC4)[C@@H]3C2)CC[N@@H+]1C ZINC001022161436 1185936562 /nfs/dbraw/zinc/93/65/62/1185936562.db2.gz GSESPYQHFMJFGK-XMTFNYHQSA-N 2 0 378.517 0.108 20 0 GCADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891647315 1185955827 /nfs/dbraw/zinc/95/58/27/1185955827.db2.gz TVWKBCOBKAWNRY-KSZLIROESA-N 2 0 391.516 0.970 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000581897808 1185958393 /nfs/dbraw/zinc/95/83/93/1185958393.db2.gz SQCXMVDTZFJBJI-GOSISDBHSA-N 2 0 379.549 0.214 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891670070 1185964118 /nfs/dbraw/zinc/96/41/18/1185964118.db2.gz NISFWHYVANVISW-HZMVEIRTSA-N 2 0 379.505 0.541 20 0 GCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000891693819 1185980520 /nfs/dbraw/zinc/98/05/20/1185980520.db2.gz GTFPRIRMYFUBOP-OKZBNKHCSA-N 2 0 380.533 0.822 20 0 GCADRP O=C(N[C@H]1CCN(c2ccccn2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891709711 1185990677 /nfs/dbraw/zinc/99/06/77/1185990677.db2.gz SZMYUDGHKRXGRC-JJXSEGSLSA-N 2 0 386.456 0.237 20 0 GCADRP C[NH+](C)CC1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCC1 ZINC000891791496 1186038242 /nfs/dbraw/zinc/03/82/42/1186038242.db2.gz YHVZLZJOJNXTTJ-XHSDSOJGSA-N 2 0 379.505 0.685 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430919893 1186053713 /nfs/dbraw/zinc/05/37/13/1186053713.db2.gz MTEPNCFDZYEYOC-RDBSUJKOSA-N 2 0 382.530 0.959 20 0 GCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000430923412 1186055156 /nfs/dbraw/zinc/05/51/56/1186055156.db2.gz DNRRROMLLMRQAY-STQMWFEESA-N 2 0 380.514 0.671 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000430923411 1186055306 /nfs/dbraw/zinc/05/53/06/1186055306.db2.gz DNRRROMLLMRQAY-QWHCGFSZSA-N 2 0 380.514 0.671 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000430968220 1186077060 /nfs/dbraw/zinc/07/70/60/1186077060.db2.gz WBWOYDULHCYZRY-CQSZACIVSA-N 2 0 386.504 0.071 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(CCOC)CC[NH2+]C3)cn2)CC1 ZINC000431008605 1186099681 /nfs/dbraw/zinc/09/96/81/1186099681.db2.gz SCUGNLWUNXAHRZ-FQEVSTJZSA-N 2 0 375.517 0.856 20 0 GCADRP O=C(C[NH2+]C[C@H]1CCCO1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431007808 1186099999 /nfs/dbraw/zinc/09/99/99/1186099999.db2.gz HUSHXOGMXSUNAS-QGZVFWFLSA-N 2 0 376.505 0.264 20 0 GCADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891858532 1186100938 /nfs/dbraw/zinc/10/09/38/1186100938.db2.gz QHZKKSUVGJEVBD-ZACQAIPSSA-N 2 0 377.489 0.437 20 0 GCADRP CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1C ZINC000431011930 1186101829 /nfs/dbraw/zinc/10/18/29/1186101829.db2.gz FJEURNKZBVXHPP-UHFFFAOYSA-N 2 0 380.514 0.917 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431013585 1186103047 /nfs/dbraw/zinc/10/30/47/1186103047.db2.gz JGWGMPKOFVWGDA-UHFFFAOYSA-N 2 0 380.514 0.068 20 0 GCADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891866414 1186108150 /nfs/dbraw/zinc/10/81/50/1186108150.db2.gz AWMZVASLZOQPGZ-VNPUNGKLSA-N 2 0 377.489 0.580 20 0 GCADRP C[NH+](C)CCn1c2cc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)ccc2oc1=O ZINC000431055763 1186114292 /nfs/dbraw/zinc/11/42/92/1186114292.db2.gz AOCXVCWGBRZAMM-UHFFFAOYSA-N 2 0 399.455 0.924 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276840316 1186114946 /nfs/dbraw/zinc/11/49/46/1186114946.db2.gz IRNHMDLHMNNNMS-NVXWUHKLSA-N 2 0 376.505 0.480 20 0 GCADRP O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891944321 1186177528 /nfs/dbraw/zinc/17/75/28/1186177528.db2.gz OAEFVZXYMQUUDM-ZACQAIPSSA-N 2 0 377.489 0.580 20 0 GCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[N@H+]1CCO ZINC000458215422 1186216618 /nfs/dbraw/zinc/21/66/18/1186216618.db2.gz KPBPBERRORWQOU-IXDOHACOSA-N 2 0 383.537 0.026 20 0 GCADRP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC[NH+]1CC=CCC1 ZINC001707907000 1186242726 /nfs/dbraw/zinc/24/27/26/1186242726.db2.gz QNNVMFHSMMECHO-GOSISDBHSA-N 2 0 387.532 0.591 20 0 GCADRP COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-n1nnnc1C ZINC000548520947 1186295810 /nfs/dbraw/zinc/29/58/10/1186295810.db2.gz HMHBFSJXIUEQSH-UHFFFAOYSA-N 2 0 390.492 0.936 20 0 GCADRP C[C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C[NH+]1CCN(C)CC1 ZINC000431297971 1186329212 /nfs/dbraw/zinc/32/92/12/1186329212.db2.gz IKHIHBADWGDUKE-SFHVURJKSA-N 2 0 396.580 0.161 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000892106225 1186344107 /nfs/dbraw/zinc/34/41/07/1186344107.db2.gz BMIIXKBQXZMOGN-MXWKQRLJSA-N 2 0 391.360 0.601 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000892106995 1186345259 /nfs/dbraw/zinc/34/52/59/1186345259.db2.gz GBQRMNJZVUTZBD-GOEBONIOSA-N 2 0 377.455 0.998 20 0 GCADRP CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc(C[NH2+]C)ncn1 ZINC001167526635 1186370653 /nfs/dbraw/zinc/37/06/53/1186370653.db2.gz JGRHEHCSNVUOSB-UHFFFAOYSA-N 2 0 388.497 0.690 20 0 GCADRP OCCN1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261306 1186389050 /nfs/dbraw/zinc/38/90/50/1186389050.db2.gz DZURJUHNFVDESR-CZYKHXBRSA-N 2 0 394.604 0.829 20 0 GCADRP OCC[NH+]1CCC[C@@H]2[C@H]1CCN2C/C=C/CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934264656 1186391875 /nfs/dbraw/zinc/39/18/75/1186391875.db2.gz UPHMGKMWQXEGMP-QPXNDOLGSA-N 2 0 392.588 0.605 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000152127682 1186402799 /nfs/dbraw/zinc/40/27/99/1186402799.db2.gz YLCIVVORGUHHGJ-KRWDZBQOSA-N 2 0 381.565 0.813 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000564662479 1186405906 /nfs/dbraw/zinc/40/59/06/1186405906.db2.gz YGJPFSYTGZUBSB-SFHVURJKSA-N 2 0 394.560 0.938 20 0 GCADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000892186864 1186418742 /nfs/dbraw/zinc/41/87/42/1186418742.db2.gz DRAFZFBWHSXJRH-IXDOHACOSA-N 2 0 377.533 0.890 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000582206789 1186464948 /nfs/dbraw/zinc/46/49/48/1186464948.db2.gz WBHRZCQYJBIECE-HZPDHXFCSA-N 2 0 380.533 0.687 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000582206787 1186465179 /nfs/dbraw/zinc/46/51/79/1186465179.db2.gz WBHRZCQYJBIECE-CVEARBPZSA-N 2 0 380.533 0.687 20 0 GCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582240519 1186472366 /nfs/dbraw/zinc/47/23/66/1186472366.db2.gz VKNVXUNZAZCWCE-WMZOPIPTSA-N 2 0 380.533 0.450 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000582263769 1186479394 /nfs/dbraw/zinc/47/93/94/1186479394.db2.gz IPPJFSZVZNZQNV-JQHSSLGASA-N 2 0 380.533 0.281 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892235137 1186480764 /nfs/dbraw/zinc/48/07/64/1186480764.db2.gz FBJGICJEBAKLSJ-UUAJXVIYSA-N 2 0 377.489 0.580 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892235133 1186480776 /nfs/dbraw/zinc/48/07/76/1186480776.db2.gz FBJGICJEBAKLSJ-UTSKFRMZSA-N 2 0 377.489 0.580 20 0 GCADRP CCN1CCc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000130600956 1186509578 /nfs/dbraw/zinc/50/95/78/1186509578.db2.gz XISSTAUNTXGGIH-UHFFFAOYSA-N 2 0 375.517 0.959 20 0 GCADRP CC[C@@H]1C[NH+](C)CCCN1C(=O)COCC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000684864582 1186526050 /nfs/dbraw/zinc/52/60/50/1186526050.db2.gz LXHWWJBWZXALHE-HDICACEKSA-N 2 0 382.549 0.888 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000560008248 1186527343 /nfs/dbraw/zinc/52/73/43/1186527343.db2.gz HMGGBZDRMYLIJU-CEXWTWQISA-N 2 0 395.592 0.707 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000125123350 1186537766 /nfs/dbraw/zinc/53/77/66/1186537766.db2.gz OLNMFHRCMMPKPX-AWEZNQCLSA-N 2 0 378.502 0.864 20 0 GCADRP CCOC(=O)[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277645760 1186552345 /nfs/dbraw/zinc/55/23/45/1186552345.db2.gz DSZXHGWOANGZRO-HNNXBMFYSA-N 2 0 375.429 0.077 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000569615910 1186563493 /nfs/dbraw/zinc/56/34/93/1186563493.db2.gz CQFVBJKYWUNSMR-ROUUACIJSA-N 2 0 380.533 0.473 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000582560283 1186567079 /nfs/dbraw/zinc/56/70/79/1186567079.db2.gz FCEQCERUGLNNNJ-UHFFFAOYSA-N 2 0 394.560 0.983 20 0 GCADRP NC(=O)c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000892287153 1186624109 /nfs/dbraw/zinc/62/41/09/1186624109.db2.gz WFZTWRKJVIXLKJ-SJORKVTESA-N 2 0 399.543 0.925 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000162034303 1186739827 /nfs/dbraw/zinc/73/98/27/1186739827.db2.gz HIRVTZLKIWITPW-UHFFFAOYSA-N 2 0 387.528 0.927 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000150740609 1186764404 /nfs/dbraw/zinc/76/44/04/1186764404.db2.gz AGKABWHFEOBOAI-SFHVURJKSA-N 2 0 379.549 0.914 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000458562815 1186872300 /nfs/dbraw/zinc/87/23/00/1186872300.db2.gz YLIALROZAZGRGB-GBESFXJTSA-N 2 0 382.549 0.900 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892346728 1186905800 /nfs/dbraw/zinc/90/58/00/1186905800.db2.gz UQVICTMRMZTVGV-UHFFFAOYSA-N 2 0 385.512 0.782 20 0 GCADRP C[C@@H]1CN(Cc2cccc(CNC(=O)N3CC(N4CC[C@@H](O)C4)C3)c2)CCO1 ZINC000650747858 1186927650 /nfs/dbraw/zinc/92/76/50/1186927650.db2.gz JDDOGGHRSHFKMH-OXQOHEQNSA-N 2 0 388.512 0.868 20 0 GCADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000132001046 1186967183 /nfs/dbraw/zinc/96/71/83/1186967183.db2.gz YORQOHUDSAHJHB-FQEVSTJZSA-N 2 0 376.501 0.692 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)C2)CC1 ZINC000584008561 1186978255 /nfs/dbraw/zinc/97/82/55/1186978255.db2.gz WYCZSJZDRXDRPJ-RBUKOAKNSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000672010980 1186990750 /nfs/dbraw/zinc/99/07/50/1186990750.db2.gz PTDNIILFCCCPOR-MRXNPFEDSA-N 2 0 381.565 0.317 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000548817225 1186993854 /nfs/dbraw/zinc/99/38/54/1186993854.db2.gz ZXIWHQJNZCZOOV-IBGZPJMESA-N 2 0 391.560 0.382 20 0 GCADRP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)cn2)[C@@H](C)C1 ZINC000685273061 1187008597 /nfs/dbraw/zinc/00/85/97/1187008597.db2.gz FKUHFMQIWONCJQ-XSLAGTTESA-N 2 0 392.548 0.259 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000584194973 1187013360 /nfs/dbraw/zinc/01/33/60/1187013360.db2.gz IBAQTQPRERZUHW-DDBAPUKQSA-N 2 0 378.517 0.033 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)[C@@H]2C1 ZINC000584194975 1187013690 /nfs/dbraw/zinc/01/36/90/1187013690.db2.gz IBAQTQPRERZUHW-VDHUWJSZSA-N 2 0 378.517 0.033 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000685277346 1187019746 /nfs/dbraw/zinc/01/97/46/1187019746.db2.gz GPSLNLZKSYFYRJ-ARFHVFGLSA-N 2 0 378.517 0.440 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000584285759 1187025969 /nfs/dbraw/zinc/02/59/69/1187025969.db2.gz NWBYMWHDYKRSSW-SFHVURJKSA-N 2 0 382.549 0.781 20 0 GCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000080699373 1187034161 /nfs/dbraw/zinc/03/41/61/1187034161.db2.gz HGVBCKKAPVJGLC-ROUUACIJSA-N 2 0 379.549 0.947 20 0 GCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000420972843 1187040206 /nfs/dbraw/zinc/04/02/06/1187040206.db2.gz BJIXOWCAJBRBNS-SVFBPWRDSA-N 2 0 382.593 0.949 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611840126 1187047000 /nfs/dbraw/zinc/04/70/00/1187047000.db2.gz ZTARILXRHDSGAT-IRXDYDNUSA-N 2 0 380.533 0.593 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cn1 ZINC000127840422 1187049315 /nfs/dbraw/zinc/04/93/15/1187049315.db2.gz ZBQVZJJLYKOWCT-UHFFFAOYSA-N 2 0 390.463 0.771 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000584409274 1187053696 /nfs/dbraw/zinc/05/36/96/1187053696.db2.gz CFEOOTJMJFZNBM-LSDHHAIUSA-N 2 0 389.500 0.645 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685306297 1187062665 /nfs/dbraw/zinc/06/26/65/1187062665.db2.gz AUNIYSMRYYUITI-RYRKJORJSA-N 2 0 378.517 0.156 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000685310522 1187069489 /nfs/dbraw/zinc/06/94/89/1187069489.db2.gz YXWVDLCPVLEBOB-QAPCUYQASA-N 2 0 380.533 0.545 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@H+](C)C1 ZINC000413555735 1187075758 /nfs/dbraw/zinc/07/57/58/1187075758.db2.gz ROIMIROLDMGRKU-MRXNPFEDSA-N 2 0 393.488 0.268 20 0 GCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000563912368 1187087539 /nfs/dbraw/zinc/08/75/39/1187087539.db2.gz RLNFYOZOKKPONY-NXHRZFHOSA-N 2 0 380.533 0.423 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443949 1187129374 /nfs/dbraw/zinc/12/93/74/1187129374.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 2 0 391.560 0.380 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2O)CC[N@@H+]1C ZINC001023969263 1187201140 /nfs/dbraw/zinc/20/11/40/1187201140.db2.gz KQWNHXCBKLZIJI-UTRMSSBJSA-N 2 0 392.544 0.137 20 0 GCADRP [NH3+][C@H](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000892414970 1187218982 /nfs/dbraw/zinc/21/89/82/1187218982.db2.gz WXGPNRFYHKLUJF-GOSISDBHSA-N 2 0 388.516 0.299 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000431628090 1187274995 /nfs/dbraw/zinc/27/49/95/1187274995.db2.gz MURWTIVAHNACRG-KRWDZBQOSA-N 2 0 397.564 0.633 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000658568909 1187349392 /nfs/dbraw/zinc/34/93/92/1187349392.db2.gz YTTVMEUCHLGHTR-ZWKOTPCHSA-N 2 0 379.549 0.025 20 0 GCADRP Cc1nc2ccc(NC(=O)C(=O)N(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736229 1187386816 /nfs/dbraw/zinc/38/68/16/1187386816.db2.gz ZNJCLVZTABLJMI-KRWDZBQOSA-N 2 0 399.499 0.603 20 0 GCADRP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001024462150 1187394641 /nfs/dbraw/zinc/39/46/41/1187394641.db2.gz HDRKHNUYYXLIOO-BDQAWRDZSA-N 2 0 385.468 0.284 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000658732072 1187433562 /nfs/dbraw/zinc/43/35/62/1187433562.db2.gz XLRLHFDWKUUNMW-MOPGFXCFSA-N 2 0 391.560 0.312 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC000685761789 1187451815 /nfs/dbraw/zinc/45/18/15/1187451815.db2.gz BLHLCWXBNJAYMP-QGZVFWFLSA-N 2 0 391.516 0.590 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC000472429586 1187486849 /nfs/dbraw/zinc/48/68/49/1187486849.db2.gz WLKSANDMQKYFBF-ROUUACIJSA-N 2 0 394.560 0.671 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000612486222 1187506101 /nfs/dbraw/zinc/50/61/01/1187506101.db2.gz QMBIORQYRXETJQ-ZWKOTPCHSA-N 2 0 382.549 0.792 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000612546587 1187523070 /nfs/dbraw/zinc/52/30/70/1187523070.db2.gz UGJZFRHHKQZDAC-OKZBNKHCSA-N 2 0 379.549 0.071 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000413822555 1187529947 /nfs/dbraw/zinc/52/99/47/1187529947.db2.gz UHTFSQUDFQIMGL-FGTMMUONSA-N 2 0 380.533 0.282 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC[C@H]21 ZINC000612595562 1187534986 /nfs/dbraw/zinc/53/49/86/1187534986.db2.gz IVLUNMHEPCZXRS-KBAYOESNSA-N 2 0 378.517 0.299 20 0 GCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612596422 1187536101 /nfs/dbraw/zinc/53/61/01/1187536101.db2.gz OZFOXWVJCUCZHU-KRWDZBQOSA-N 2 0 392.500 0.539 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000612595932 1187536648 /nfs/dbraw/zinc/53/66/48/1187536648.db2.gz LKVLNDFBYUSHNW-SJLPKXTDSA-N 2 0 378.517 0.300 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000612599138 1187538704 /nfs/dbraw/zinc/53/87/04/1187538704.db2.gz PUJVEIRPQHJZQH-MSOLQXFVSA-N 2 0 378.517 0.443 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000612599365 1187538763 /nfs/dbraw/zinc/53/87/63/1187538763.db2.gz UISQZKCHLFGPCH-RBUKOAKNSA-N 2 0 392.544 0.833 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000612599366 1187538919 /nfs/dbraw/zinc/53/89/19/1187538919.db2.gz UISQZKCHLFGPCH-RTBURBONSA-N 2 0 392.544 0.833 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612600858 1187539609 /nfs/dbraw/zinc/53/96/09/1187539609.db2.gz LRAOLEHJLGDSJB-SFHVURJKSA-N 2 0 394.560 0.936 20 0 GCADRP CCN(CCOCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000413845044 1187543768 /nfs/dbraw/zinc/54/37/68/1187543768.db2.gz JMIFPWRWSIKPQS-MLHJIOFPSA-N 2 0 382.549 0.363 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@@H+]1C ZINC001024650046 1187558415 /nfs/dbraw/zinc/55/84/15/1187558415.db2.gz LAEWQKBXYWVNPN-BSDSXHPESA-N 2 0 385.468 0.366 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](C)C1 ZINC000413901529 1187573361 /nfs/dbraw/zinc/57/33/61/1187573361.db2.gz MIFXYHUEFHPRLY-GOSISDBHSA-N 2 0 388.512 0.762 20 0 GCADRP CN1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636111779 1187573495 /nfs/dbraw/zinc/57/34/95/1187573495.db2.gz OSJULRDZLTWSGG-BZSNNMDCSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCC1 ZINC000570415038 1187599242 /nfs/dbraw/zinc/59/92/42/1187599242.db2.gz ZFJHAXYXOAKPIN-UHFFFAOYSA-N 2 0 380.533 0.548 20 0 GCADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911692 1187617754 /nfs/dbraw/zinc/61/77/54/1187617754.db2.gz PLSAPUKCDBPKSH-CVEARBPZSA-N 2 0 375.521 0.850 20 0 GCADRP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915958 1187618811 /nfs/dbraw/zinc/61/88/11/1187618811.db2.gz VJBIQDCCXBKPLD-JKSUJKDBSA-N 2 0 375.521 0.708 20 0 GCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612922338 1187620128 /nfs/dbraw/zinc/62/01/28/1187620128.db2.gz FXELKUFSKFGSQM-OWCLPIDISA-N 2 0 375.521 0.706 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612920499 1187620379 /nfs/dbraw/zinc/62/03/79/1187620379.db2.gz HRVRTYCQPDXROV-BZUAXINKSA-N 2 0 375.521 0.978 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000658856210 1187652765 /nfs/dbraw/zinc/65/27/65/1187652765.db2.gz UDQPVXJCHJKLBY-IBGZPJMESA-N 2 0 393.576 0.415 20 0 GCADRP C[NH+](C)C1(C)CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000892533572 1187698536 /nfs/dbraw/zinc/69/85/36/1187698536.db2.gz XJTVCMPHCUIFHB-UHFFFAOYSA-N 2 0 380.537 0.602 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[NH+]1CCC(O)CC1 ZINC000892544569 1187747146 /nfs/dbraw/zinc/74/71/46/1187747146.db2.gz MXDSGHXJHOBALK-UHFFFAOYSA-N 3 0 390.532 0.350 20 0 GCADRP O=C(C[C@H](O)CC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332812509 1187782147 /nfs/dbraw/zinc/78/21/47/1187782147.db2.gz VBVYNAYJAKQVFW-RHQZKXFESA-N 2 0 392.544 0.614 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCN2Cc2ccccc2)n1 ZINC000658963552 1187821676 /nfs/dbraw/zinc/82/16/76/1187821676.db2.gz RKORCXKMBCALPP-QGZVFWFLSA-N 2 0 384.484 0.774 20 0 GCADRP Cc1cccc(CN2CCO[C@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)c1 ZINC000892609057 1187824941 /nfs/dbraw/zinc/82/49/41/1187824941.db2.gz KJVFECAOWFGEMH-RTBURBONSA-N 2 0 376.501 0.955 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)CC2)C1 ZINC000658977846 1187829574 /nfs/dbraw/zinc/82/95/74/1187829574.db2.gz KQKUBECAQBLERY-RTBURBONSA-N 2 0 391.560 0.312 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000892651393 1187882339 /nfs/dbraw/zinc/88/23/39/1187882339.db2.gz YCHHLRCTUDKONL-KURKYZTESA-N 2 0 395.548 0.170 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000659318521 1187943500 /nfs/dbraw/zinc/94/35/00/1187943500.db2.gz KCGIZSBTCWDBHK-GOSISDBHSA-N 2 0 394.491 0.757 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000659318570 1187943553 /nfs/dbraw/zinc/94/35/53/1187943553.db2.gz NHBOTNBYHMANEF-HKUYNNGSSA-N 3 0 393.576 0.414 20 0 GCADRP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344795 1187946135 /nfs/dbraw/zinc/94/61/35/1187946135.db2.gz KVPRJRITFFEGSP-ROUUACIJSA-N 2 0 379.549 0.166 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344578 1187946268 /nfs/dbraw/zinc/94/62/68/1187946268.db2.gz GXNXPBVKHXXTIM-SFHVURJKSA-N 2 0 393.576 0.556 20 0 GCADRP CCC(CC)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCOCC1 ZINC000659432282 1187957849 /nfs/dbraw/zinc/95/78/49/1187957849.db2.gz YBMOACHGWJRGEZ-HNNXBMFYSA-N 2 0 380.493 0.577 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659455811 1187960880 /nfs/dbraw/zinc/96/08/80/1187960880.db2.gz DOSKKIHKYNSGNT-PMACEKPBSA-N 2 0 393.576 0.814 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000659456309 1187961079 /nfs/dbraw/zinc/96/10/79/1187961079.db2.gz KMEFWQJMGSJISM-DZGCQCFKSA-N 2 0 380.493 0.577 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659566597 1187970849 /nfs/dbraw/zinc/97/08/49/1187970849.db2.gz MVFJUTFRAMOADH-HXUWFJFHSA-N 2 0 386.544 0.983 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659565409 1187971757 /nfs/dbraw/zinc/97/17/57/1187971757.db2.gz IDGLKHHLPZOEHB-FQEVSTJZSA-N 2 0 386.544 0.983 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000659589664 1187974253 /nfs/dbraw/zinc/97/42/53/1187974253.db2.gz WQPFQIMRIFCAPX-HOJAQTOUSA-N 2 0 387.528 0.830 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659608147 1187976058 /nfs/dbraw/zinc/97/60/58/1187976058.db2.gz LFEKZOJJGPCNGY-FUHWJXTLSA-N 2 0 393.532 0.093 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000659631572 1187978301 /nfs/dbraw/zinc/97/83/01/1187978301.db2.gz YGCDUTUSMNCSAI-UHFFFAOYSA-N 2 0 388.472 0.923 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659632814 1187978957 /nfs/dbraw/zinc/97/89/57/1187978957.db2.gz HXRXDGKRAQUTTJ-HUUCEWRRSA-N 2 0 391.520 0.341 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)[NH+](C)C)cc1OC ZINC000659673513 1187990696 /nfs/dbraw/zinc/99/06/96/1187990696.db2.gz KNVQNSDBUVGIQY-HNNXBMFYSA-N 2 0 392.500 0.810 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659680437 1187993089 /nfs/dbraw/zinc/99/30/89/1187993089.db2.gz NGFUOKNMYWUNOA-MOPGFXCFSA-N 2 0 394.560 0.698 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659680784 1187993872 /nfs/dbraw/zinc/99/38/72/1187993872.db2.gz KVQVOSJAFVLPFD-STQMWFEESA-N 2 0 392.504 0.130 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659680782 1187994037 /nfs/dbraw/zinc/99/40/37/1187994037.db2.gz KVQVOSJAFVLPFD-BETUJISGSA-N 2 0 392.504 0.130 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659684651 1187996811 /nfs/dbraw/zinc/99/68/11/1187996811.db2.gz KKTTXDFYUZQZOX-KBAYOESNSA-N 2 0 376.501 0.364 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000659688613 1187997353 /nfs/dbraw/zinc/99/73/53/1187997353.db2.gz CRDMPZFQUPTUJO-HNNXBMFYSA-N 2 0 390.488 0.170 20 0 GCADRP O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000659688163 1187998130 /nfs/dbraw/zinc/99/81/30/1187998130.db2.gz GSZZLKBPYBPCTJ-SFHVURJKSA-N 2 0 376.501 0.030 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCCC1 ZINC000659706382 1188002169 /nfs/dbraw/zinc/00/21/69/1188002169.db2.gz KDINZTGCWIDILR-UHFFFAOYSA-N 2 0 388.512 0.647 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699125 1188004109 /nfs/dbraw/zinc/00/41/09/1188004109.db2.gz QDBCRZLDXZVRBF-IBGZPJMESA-N 2 0 393.576 0.368 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)c2ccccc2)CC1 ZINC000659699232 1188004194 /nfs/dbraw/zinc/00/41/94/1188004194.db2.gz UOPMBHICDQBBIB-GOSISDBHSA-N 2 0 387.528 0.479 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659719322 1188007589 /nfs/dbraw/zinc/00/75/89/1188007589.db2.gz HBXZPIYRTAGYCH-GOSISDBHSA-N 2 0 380.533 0.785 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659718238 1188007609 /nfs/dbraw/zinc/00/76/09/1188007609.db2.gz MUPZXBPWIHEFRL-GOSISDBHSA-N 2 0 375.517 0.899 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000659739415 1188017921 /nfs/dbraw/zinc/01/79/21/1188017921.db2.gz TYFMGLHTTUQSDP-UHOSZYNNSA-N 2 0 392.544 0.737 20 0 GCADRP CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)ccc1OC ZINC000415297128 1188024798 /nfs/dbraw/zinc/02/47/98/1188024798.db2.gz UOLXRJHUYLYXDG-CQSZACIVSA-N 2 0 378.473 0.914 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000377483602 1188034832 /nfs/dbraw/zinc/03/48/32/1188034832.db2.gz BGGMODVHHUTUDV-INIZCTEOSA-N 2 0 393.532 0.726 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415321864 1188036938 /nfs/dbraw/zinc/03/69/38/1188036938.db2.gz DOKSVSZSGRQJST-UHFFFAOYSA-N 2 0 391.541 0.195 20 0 GCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415349865 1188059177 /nfs/dbraw/zinc/05/91/77/1188059177.db2.gz YBELPSMNPFDARR-INIZCTEOSA-N 2 0 385.512 0.977 20 0 GCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000415373071 1188065739 /nfs/dbraw/zinc/06/57/39/1188065739.db2.gz SNCOQHFWPFQJSV-MRXNPFEDSA-N 2 0 389.500 0.043 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415380149 1188068842 /nfs/dbraw/zinc/06/88/42/1188068842.db2.gz PADAPMHTROCWBO-HNNXBMFYSA-N 2 0 389.500 0.644 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415383565 1188069114 /nfs/dbraw/zinc/06/91/14/1188069114.db2.gz TWXRBARSTBIVGZ-QGZVFWFLSA-N 2 0 389.500 0.565 20 0 GCADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000415392333 1188071018 /nfs/dbraw/zinc/07/10/18/1188071018.db2.gz NKJPCUQDFGXSTR-KRWDZBQOSA-N 2 0 386.500 1.323 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1 ZINC000415419244 1188076141 /nfs/dbraw/zinc/07/61/41/1188076141.db2.gz PVOOTQZWLZSMOT-AWEZNQCLSA-N 2 0 377.489 0.502 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415418290 1188076347 /nfs/dbraw/zinc/07/63/47/1188076347.db2.gz RKTPZJGPAKQXPQ-OAHLLOKOSA-N 2 0 389.500 0.596 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000415468950 1188087449 /nfs/dbraw/zinc/08/74/49/1188087449.db2.gz WJAGKXQCLRYNGY-QFBILLFUSA-N 2 0 387.528 0.958 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000415472920 1188088512 /nfs/dbraw/zinc/08/85/12/1188088512.db2.gz ZUWIKMZXNBGIND-MRXNPFEDSA-N 2 0 389.500 0.725 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415484414 1188090129 /nfs/dbraw/zinc/09/01/29/1188090129.db2.gz CBZBOBBLULXGQW-CQSZACIVSA-N 2 0 389.456 0.305 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021056 1188102490 /nfs/dbraw/zinc/10/24/90/1188102490.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 2 0 379.549 0.396 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652691484 1188136366 /nfs/dbraw/zinc/13/63/66/1188136366.db2.gz VSCLGVGSRRPXPD-BQFCYCMXSA-N 2 0 380.533 0.722 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652691487 1188137128 /nfs/dbraw/zinc/13/71/28/1188137128.db2.gz VSCLGVGSRRPXPD-LZLYRXPVSA-N 2 0 380.533 0.722 20 0 GCADRP COC[C@]1(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)CCC[NH2+]1 ZINC000415701308 1188144016 /nfs/dbraw/zinc/14/40/16/1188144016.db2.gz BJQSEGJYEWJXFA-HXUWFJFHSA-N 2 0 392.500 0.759 20 0 GCADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)CC2)CC1 ZINC000584538873 1188144670 /nfs/dbraw/zinc/14/46/70/1188144670.db2.gz CWKICNHNWLWTKU-OAQYLSRUSA-N 2 0 378.561 0.756 20 0 GCADRP CN(C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000415743067 1188155555 /nfs/dbraw/zinc/15/55/55/1188155555.db2.gz MJXVCVKHUXPTHO-INIZCTEOSA-N 2 0 382.468 0.699 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415751286 1188155655 /nfs/dbraw/zinc/15/56/55/1188155655.db2.gz VXIICMCCAQBOPC-IRXDYDNUSA-N 2 0 385.512 0.835 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000415747381 1188156969 /nfs/dbraw/zinc/15/69/69/1188156969.db2.gz OPOKAYKTSYGXDB-RBUKOAKNSA-N 2 0 399.539 0.831 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415813887 1189367844 /nfs/dbraw/zinc/36/78/44/1189367844.db2.gz HKFAENQKWMVENT-PBHICJAKSA-N 2 0 387.484 0.726 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000415820972 1189369642 /nfs/dbraw/zinc/36/96/42/1189369642.db2.gz DMAIBHWHRMPFIS-UHFFFAOYSA-N 2 0 387.528 0.973 20 0 GCADRP C[NH+](C)C[C@H]1CCN(c2nc(NC3CC3)nc(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000893118752 1189373507 /nfs/dbraw/zinc/37/35/07/1189373507.db2.gz JKWCUERVBLGHMD-HZPDHXFCSA-N 2 0 388.564 0.644 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000415837963 1189376467 /nfs/dbraw/zinc/37/64/67/1189376467.db2.gz LAYGZQVYPXFVEA-GDBMZVCRSA-N 2 0 389.500 0.581 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C[C@H]1[NH3+] ZINC000415852039 1189381624 /nfs/dbraw/zinc/38/16/24/1189381624.db2.gz ZWQZRXGCFWFGDU-DNVCBOLYSA-N 2 0 385.512 0.963 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C1 ZINC000415854944 1189382883 /nfs/dbraw/zinc/38/28/83/1189382883.db2.gz NTPTZJINQIAIHJ-LPHOPBHVSA-N 2 0 387.528 0.877 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000415861139 1189384914 /nfs/dbraw/zinc/38/49/14/1189384914.db2.gz IECYXSHFGJKZCE-SFHVURJKSA-N 2 0 390.484 0.594 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000415864310 1189385997 /nfs/dbraw/zinc/38/59/97/1189385997.db2.gz SIPLMEXCBPGPQH-SFHVURJKSA-N 2 0 389.500 0.343 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415858539 1189388439 /nfs/dbraw/zinc/38/84/39/1189388439.db2.gz KCXSLFNAYXIEOK-MRXNPFEDSA-N 2 0 392.500 0.922 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415880411 1189395509 /nfs/dbraw/zinc/39/55/09/1189395509.db2.gz RQXYZSDJFYJTSA-NLWGTHIKSA-N 2 0 399.539 0.877 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415880408 1189395550 /nfs/dbraw/zinc/39/55/50/1189395550.db2.gz RQXYZSDJFYJTSA-CMKODMSKSA-N 2 0 399.539 0.877 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCO1 ZINC000415958661 1189409935 /nfs/dbraw/zinc/40/99/35/1189409935.db2.gz XHYISHWKEPZZFE-OAHLLOKOSA-N 2 0 377.493 0.509 20 0 GCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041641142 1189455388 /nfs/dbraw/zinc/45/53/88/1189455388.db2.gz BXPXRUNEKHMHDD-INIZCTEOSA-N 2 0 375.517 0.829 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000363806975 1189484398 /nfs/dbraw/zinc/48/43/98/1189484398.db2.gz SCDYVSCOUHITDI-GOSISDBHSA-N 2 0 393.576 0.415 20 0 GCADRP COc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)ccc1OCC[NH+](C)C ZINC000416342527 1189493862 /nfs/dbraw/zinc/49/38/62/1189493862.db2.gz PDRASKNWRAULSK-OAHLLOKOSA-N 2 0 392.500 0.984 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000668890934 1189495461 /nfs/dbraw/zinc/49/54/61/1189495461.db2.gz GUKJJJNXMJJVGS-IPMKNSEASA-N 2 0 394.560 0.983 20 0 GCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000378528067 1189528247 /nfs/dbraw/zinc/52/82/47/1189528247.db2.gz HACIQNHBTSOGND-DLBZAZTESA-N 2 0 397.545 0.632 20 0 GCADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H](C[NH3+])C1 ZINC000582052988 1189546491 /nfs/dbraw/zinc/54/64/91/1189546491.db2.gz ZATTZLGCMLBGMQ-ZMSDIMECSA-N 2 0 393.557 0.349 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000511571526 1189559180 /nfs/dbraw/zinc/55/91/80/1189559180.db2.gz HCQAYJJWTXTCDH-IEBWSBKVSA-N 2 0 390.528 0.660 20 0 GCADRP C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000582072552 1189570732 /nfs/dbraw/zinc/57/07/32/1189570732.db2.gz ZFGVOYOMBOONOH-SFHVURJKSA-N 2 0 389.544 0.771 20 0 GCADRP COc1ccc([C@H](CNC(=O)NCCCN2CC[NH2+]CC2)[NH+](C)C)cc1OC ZINC000416812239 1189586193 /nfs/dbraw/zinc/58/61/93/1189586193.db2.gz DMCLAEPZNCAEGG-KRWDZBQOSA-N 2 0 393.532 0.901 20 0 GCADRP COC[C@@]1(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000416835606 1189587524 /nfs/dbraw/zinc/58/75/24/1189587524.db2.gz FPMVERCSVDUOGS-NRFANRHFSA-N 2 0 389.544 0.872 20 0 GCADRP COC[C@@]1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CCC[NH2+]1 ZINC000416939544 1189596352 /nfs/dbraw/zinc/59/63/52/1189596352.db2.gz CXZZWMVFYJOUIH-IBGZPJMESA-N 2 0 376.505 0.401 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC000416935135 1189598608 /nfs/dbraw/zinc/59/86/08/1189598608.db2.gz AKEBZJLGQUUUKW-BRWVUGGUSA-N 2 0 383.537 0.515 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416981635 1189605548 /nfs/dbraw/zinc/60/55/48/1189605548.db2.gz VFKDNSPRROJPEA-OAHLLOKOSA-N 2 0 394.486 0.148 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000416997273 1189606355 /nfs/dbraw/zinc/60/63/55/1189606355.db2.gz VRWCATYWNFYLPT-UHFFFAOYSA-N 2 0 388.560 0.529 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](c2ccccc2)C1 ZINC000417022155 1189609048 /nfs/dbraw/zinc/60/90/48/1189609048.db2.gz NXFPCMVIBZQFTN-WOJBJXKFSA-N 2 0 388.560 0.568 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417024395 1189609160 /nfs/dbraw/zinc/60/91/60/1189609160.db2.gz QADZYLNYYIUUAY-IBGZPJMESA-N 2 0 375.517 0.876 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000417160045 1189626368 /nfs/dbraw/zinc/62/63/68/1189626368.db2.gz XVBPDOHDDOVFLN-UHFFFAOYSA-N 2 0 388.560 0.793 20 0 GCADRP CC(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000611815117 1189628696 /nfs/dbraw/zinc/62/86/96/1189628696.db2.gz VLJXRGIKMPCFCO-XDNAFOTISA-N 2 0 390.532 0.725 20 0 GCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000660176934 1189635508 /nfs/dbraw/zinc/63/55/08/1189635508.db2.gz GZDQCKVKHUIKMS-UHFFFAOYSA-N 2 0 385.468 0.914 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(CC[NH3+])CCO)CC1 ZINC000417432492 1189663678 /nfs/dbraw/zinc/66/36/78/1189663678.db2.gz TYHRCAUAMBYLRQ-HNNXBMFYSA-N 2 0 381.496 0.991 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417434704 1189664014 /nfs/dbraw/zinc/66/40/14/1189664014.db2.gz AGILHJIQVAWUKU-HNNXBMFYSA-N 2 0 395.470 0.623 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000584795458 1189670036 /nfs/dbraw/zinc/67/00/36/1189670036.db2.gz OWOKZAASYANQBJ-RTBURBONSA-N 2 0 395.592 0.757 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000584795456 1189670345 /nfs/dbraw/zinc/67/03/45/1189670345.db2.gz OWOKZAASYANQBJ-RBUKOAKNSA-N 2 0 395.592 0.757 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417488261 1189672159 /nfs/dbraw/zinc/67/21/59/1189672159.db2.gz CHLAWDUGOCOOHN-MOPGFXCFSA-N 2 0 377.533 0.899 20 0 GCADRP CC1(C)CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000417497004 1189674934 /nfs/dbraw/zinc/67/49/34/1189674934.db2.gz ADPWATUUVOLLSI-UHFFFAOYSA-N 2 0 375.521 0.772 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000417529201 1189679554 /nfs/dbraw/zinc/67/95/54/1189679554.db2.gz QJMHJZQZNPLFHS-IBGZPJMESA-N 2 0 389.544 0.859 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000417529202 1189679729 /nfs/dbraw/zinc/67/97/29/1189679729.db2.gz QJMHJZQZNPLFHS-LJQANCHMSA-N 2 0 389.544 0.859 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000417535101 1189680290 /nfs/dbraw/zinc/68/02/90/1189680290.db2.gz BFMPIYBEVPNVNG-INIZCTEOSA-N 2 0 397.564 0.905 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000417535105 1189680507 /nfs/dbraw/zinc/68/05/07/1189680507.db2.gz BFMPIYBEVPNVNG-MRXNPFEDSA-N 2 0 397.564 0.905 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@@H](C)C1 ZINC000417669468 1189694367 /nfs/dbraw/zinc/69/43/67/1189694367.db2.gz LIGMWOGFAWYGBJ-BZSNNMDCSA-N 2 0 397.564 0.620 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NCC1CC[NH+](C2CC2)CC1 ZINC000418095523 1189721952 /nfs/dbraw/zinc/72/19/52/1189721952.db2.gz WBRKRIJOIOOALH-OAHLLOKOSA-N 2 0 377.455 0.996 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000660342522 1189723151 /nfs/dbraw/zinc/72/31/51/1189723151.db2.gz KHOCXWZERMIOPY-QGZVFWFLSA-N 2 0 392.544 0.785 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCO1 ZINC000418115612 1189724843 /nfs/dbraw/zinc/72/48/43/1189724843.db2.gz OSOQSXUKMACAMQ-SJORKVTESA-N 2 0 383.537 0.516 20 0 GCADRP CN(C(=O)NCCCN1C(=O)CCC1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364277670 1189729655 /nfs/dbraw/zinc/72/96/55/1189729655.db2.gz DHKBHZZICMAYRR-INIZCTEOSA-N 2 0 379.505 0.335 20 0 GCADRP CSC1(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH+](C)CC1 ZINC000418203949 1189737149 /nfs/dbraw/zinc/73/71/49/1189737149.db2.gz WVAXGBHIVHWTFA-ZDUSSCGKSA-N 2 0 397.511 0.949 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418287675 1189748151 /nfs/dbraw/zinc/74/81/51/1189748151.db2.gz KXUVCPNBWCHZRO-HXUWFJFHSA-N 2 0 375.517 0.218 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418304130 1189755525 /nfs/dbraw/zinc/75/55/25/1189755525.db2.gz XBMIKSWGLRTHFT-MOPGFXCFSA-N 2 0 375.517 0.074 20 0 GCADRP CCN1CCO[C@@H](C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000364377428 1189773868 /nfs/dbraw/zinc/77/38/68/1189773868.db2.gz PMXDFJVSBXLFMM-QGZVFWFLSA-N 2 0 382.549 0.650 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)C1 ZINC000652693964 1189798649 /nfs/dbraw/zinc/79/86/49/1189798649.db2.gz KMRMESINJGFDRR-SFFUCWETSA-N 2 0 378.517 0.474 20 0 GCADRP CN(C[C@H]1COCCO1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000660516182 1189877192 /nfs/dbraw/zinc/87/71/92/1189877192.db2.gz PTEPLKIKAOXYHU-SFHVURJKSA-N 2 0 377.489 0.651 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000660532373 1189891879 /nfs/dbraw/zinc/89/18/79/1189891879.db2.gz HVPBNSWKSOKIHC-FGTMMUONSA-N 2 0 378.517 0.110 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000660586554 1189911566 /nfs/dbraw/zinc/91/15/66/1189911566.db2.gz ZADGWFXBKZRIQQ-GOSISDBHSA-N 2 0 379.549 0.995 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660582863 1189911586 /nfs/dbraw/zinc/91/15/86/1189911586.db2.gz AKSIIFQPXNKATP-ZWKOTPCHSA-N 2 0 379.549 0.995 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000660755960 1189947245 /nfs/dbraw/zinc/94/72/45/1189947245.db2.gz HAPLQZIGGRBWLD-QZTJIDSGSA-N 2 0 382.549 0.935 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000660919724 1189965116 /nfs/dbraw/zinc/96/51/16/1189965116.db2.gz XAFRXWCXOFAXNX-QGZVFWFLSA-N 2 0 382.549 0.935 20 0 GCADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000662731379 1190011826 /nfs/dbraw/zinc/01/18/26/1190011826.db2.gz DHEBAEWJVIFNRC-QGZVFWFLSA-N 2 0 376.505 0.777 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C1(O)C[NH2+]C1 ZINC000662755947 1190020060 /nfs/dbraw/zinc/02/00/60/1190020060.db2.gz DNGRPNLQENQGBV-UHFFFAOYSA-N 2 0 380.492 0.959 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757498 1190021190 /nfs/dbraw/zinc/02/11/90/1190021190.db2.gz LUOIQPQBOQSGFJ-QGZVFWFLSA-N 2 0 398.515 0.670 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662757497 1190021521 /nfs/dbraw/zinc/02/15/21/1190021521.db2.gz LUOIQPQBOQSGFJ-KRWDZBQOSA-N 2 0 398.515 0.670 20 0 GCADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833565 1190046478 /nfs/dbraw/zinc/04/64/78/1190046478.db2.gz SEKURTCDTWCRKN-SJORKVTESA-N 2 0 376.505 0.920 20 0 GCADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000661441983 1190048785 /nfs/dbraw/zinc/04/87/85/1190048785.db2.gz JNCKASGWUOQFBG-INIZCTEOSA-N 2 0 395.548 0.639 20 0 GCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000662865955 1190063536 /nfs/dbraw/zinc/06/35/36/1190063536.db2.gz SRBDUZOSHNLIOC-XKQJLSEDSA-N 2 0 380.439 0.785 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000419226607 1193728347 /nfs/dbraw/zinc/72/83/47/1193728347.db2.gz RBHJPUAMXPAXQS-ROUUACIJSA-N 2 0 378.517 0.500 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000419228769 1193738046 /nfs/dbraw/zinc/73/80/46/1193738046.db2.gz MRTWVWGMDNQBEX-AEFFLSMTSA-N 2 0 376.501 0.365 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1F ZINC000411246596 1193739577 /nfs/dbraw/zinc/73/95/77/1193739577.db2.gz NPPMCNBDFOQYJO-UHFFFAOYSA-N 2 0 389.431 0.750 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419233225 1193743150 /nfs/dbraw/zinc/74/31/50/1193743150.db2.gz VWUVFSRCJQYQIJ-NZSAHSFTSA-N 2 0 388.512 0.508 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419233197 1193744510 /nfs/dbraw/zinc/74/45/10/1193744510.db2.gz VQPUBNBLERPTJN-JFIYKMOQSA-N 2 0 388.512 0.364 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000433131337 1193759700 /nfs/dbraw/zinc/75/97/00/1193759700.db2.gz KBZZTIONKRIXFO-HNNXBMFYSA-N 2 0 379.457 0.475 20 0 GCADRP CN1CCN(C(=O)CC2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)CC1 ZINC000433128282 1193761783 /nfs/dbraw/zinc/76/17/83/1193761783.db2.gz LCBTUSURYOGWQV-UHFFFAOYSA-N 2 0 393.576 0.592 20 0 GCADRP CCN(CC)C(=O)CN1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433135425 1193762783 /nfs/dbraw/zinc/76/27/83/1193762783.db2.gz NMZYRQTWPUPICD-UHFFFAOYSA-N 2 0 381.565 0.592 20 0 GCADRP COC(=O)CNC(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433155407 1193767243 /nfs/dbraw/zinc/76/72/43/1193767243.db2.gz XTNJFKTXJMLBDH-UHFFFAOYSA-N 2 0 376.457 0.731 20 0 GCADRP C[C@@H]1CCC[NH+](CCNC(=O)COCC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249510469 1193771083 /nfs/dbraw/zinc/77/10/83/1193771083.db2.gz OOUSVMLGHDXHGO-QZTJIDSGSA-N 2 0 382.549 0.699 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 ZINC000433171656 1193774787 /nfs/dbraw/zinc/77/47/87/1193774787.db2.gz FLPFNWRFGCFDQB-UHFFFAOYSA-N 2 0 393.576 0.783 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512814060 1193778187 /nfs/dbraw/zinc/77/81/87/1193778187.db2.gz KLJOVYUDHRWBJD-LJQANCHMSA-N 2 0 381.565 0.646 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000512831826 1193781600 /nfs/dbraw/zinc/78/16/00/1193781600.db2.gz FGQNXXIFLWLSAQ-MJGOQNOKSA-N 2 0 387.528 0.811 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419280829 1193785225 /nfs/dbraw/zinc/78/52/25/1193785225.db2.gz AOTQKXLSRIYMEU-HOCLYGCPSA-N 2 0 391.491 0.623 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000512836709 1193786041 /nfs/dbraw/zinc/78/60/41/1193786041.db2.gz BGTMKJRPJIMPER-IBGZPJMESA-N 2 0 381.565 0.646 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419293791 1193791759 /nfs/dbraw/zinc/79/17/59/1193791759.db2.gz ZYZJSAWJONEUMB-CYBMUJFWSA-N 2 0 379.480 0.608 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419304282 1193795916 /nfs/dbraw/zinc/79/59/16/1193795916.db2.gz ULKUYMMDWSPNHE-CABCVRRESA-N 2 0 391.491 0.562 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419305339 1193797028 /nfs/dbraw/zinc/79/70/28/1193797028.db2.gz WMLJEXLGIUDXLD-HUUCEWRRSA-N 2 0 391.491 0.575 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419303007 1193797736 /nfs/dbraw/zinc/79/77/36/1193797736.db2.gz RCJUDKQDJJZLCD-CABCVRRESA-N 2 0 393.507 0.726 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324810 1193807404 /nfs/dbraw/zinc/80/74/04/1193807404.db2.gz CPRJCXMATSXKQZ-ZWKOTPCHSA-N 2 0 397.564 0.729 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCO1 ZINC000433330713 1193808207 /nfs/dbraw/zinc/80/82/07/1193808207.db2.gz CTSBAFYMKKCWPO-KRWDZBQOSA-N 2 0 397.564 0.729 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000333120747 1193813099 /nfs/dbraw/zinc/81/30/99/1193813099.db2.gz IDRNMTDWCVXEOM-NVXWUHKLSA-N 2 0 386.562 0.510 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000419331281 1193824610 /nfs/dbraw/zinc/82/46/10/1193824610.db2.gz GVLLKSVWIKIMMO-KRWDZBQOSA-N 2 0 389.544 0.412 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC000433395942 1193824966 /nfs/dbraw/zinc/82/49/66/1193824966.db2.gz BUQCVPOYUFANBO-DLBZAZTESA-N 2 0 383.537 0.374 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419334195 1193826500 /nfs/dbraw/zinc/82/65/00/1193826500.db2.gz GOHNQQNONDNEEE-CALCHBBNSA-N 2 0 390.528 0.560 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419341597 1193834642 /nfs/dbraw/zinc/83/46/42/1193834642.db2.gz OJWYPVUHBGWGHE-KRWDZBQOSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000419344001 1193836771 /nfs/dbraw/zinc/83/67/71/1193836771.db2.gz RJPRUFOTDBFOKT-QGZVFWFLSA-N 2 0 387.528 0.261 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000419346371 1193841601 /nfs/dbraw/zinc/84/16/01/1193841601.db2.gz VDBLROHQZBFWRQ-MRXNPFEDSA-N 2 0 392.500 0.592 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H](C)C[NH3+])cc2)CC1 ZINC000419346104 1193841947 /nfs/dbraw/zinc/84/19/47/1193841947.db2.gz UWLSFRKACUCNSX-MRXNPFEDSA-N 2 0 375.517 0.151 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419350829 1193845427 /nfs/dbraw/zinc/84/54/27/1193845427.db2.gz ZTRSCBCDCCASQB-LJQANCHMSA-N 2 0 387.528 0.309 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419350135 1193846811 /nfs/dbraw/zinc/84/68/11/1193846811.db2.gz ZDPBSMINBAJOFP-KRWDZBQOSA-N 2 0 387.528 0.261 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419353557 1193848491 /nfs/dbraw/zinc/84/84/91/1193848491.db2.gz JVUHEJSLRWHYEG-RHSMWYFYSA-N 2 0 398.454 0.221 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433457643 1193861073 /nfs/dbraw/zinc/86/10/73/1193861073.db2.gz QEFKGOXLXSJFNP-GOSISDBHSA-N 2 0 397.564 0.683 20 0 GCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419366469 1193868008 /nfs/dbraw/zinc/86/80/08/1193868008.db2.gz YVGVNKLDLYHZDU-GOSISDBHSA-N 3 0 388.516 0.050 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419372980 1193876069 /nfs/dbraw/zinc/87/60/69/1193876069.db2.gz NHUDTXSTVLTFCS-OALUTQOASA-N 2 0 390.528 0.632 20 0 GCADRP C[NH+](C)CC1(NC(=O)c2cc(C(=O)NC3(C[NH+](C)C)CCC3)[nH]n2)CCC1 ZINC000614401438 1193877004 /nfs/dbraw/zinc/87/70/04/1193877004.db2.gz SWKLSAQAJVUWOD-UHFFFAOYSA-N 2 0 376.505 0.838 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC[NH2+]1 ZINC000419388967 1193900173 /nfs/dbraw/zinc/90/01/73/1193900173.db2.gz KUYIPRSWESLTEI-COXVUDFISA-N 2 0 394.903 0.648 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC[NH2+]1 ZINC000419388970 1193900325 /nfs/dbraw/zinc/90/03/25/1193900325.db2.gz KUYIPRSWESLTEI-JQFCIGGWSA-N 2 0 394.903 0.648 20 0 GCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000513219084 1193923208 /nfs/dbraw/zinc/92/32/08/1193923208.db2.gz NONGGUNBSFCLKC-HUUCEWRRSA-N 2 0 379.505 0.287 20 0 GCADRP COCC1(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]CC1 ZINC000262013494 1193935839 /nfs/dbraw/zinc/93/58/39/1193935839.db2.gz MLKPURZDTVKCNR-UHFFFAOYSA-N 2 0 375.517 0.726 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333429581 1193939124 /nfs/dbraw/zinc/93/91/24/1193939124.db2.gz UKIVRCKKMQUNDI-LJQANCHMSA-N 2 0 393.576 0.958 20 0 GCADRP CS(=O)(=O)C1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000262544770 1193950440 /nfs/dbraw/zinc/95/04/40/1193950440.db2.gz NVMNQSCVCMJRPQ-UHFFFAOYSA-N 2 0 393.553 0.977 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C2)CC1 ZINC000513457198 1193953104 /nfs/dbraw/zinc/95/31/04/1193953104.db2.gz IGMVIBMPOACLSE-SJORKVTESA-N 2 0 381.565 0.317 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513475905 1193955353 /nfs/dbraw/zinc/95/53/53/1193955353.db2.gz LZANYBGUMRWXSC-MRXNPFEDSA-N 2 0 397.564 0.092 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513475496 1193955507 /nfs/dbraw/zinc/95/55/07/1193955507.db2.gz KJYCQLUCOAAJIC-KZNAEPCWSA-N 2 0 395.592 0.563 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513486312 1193956875 /nfs/dbraw/zinc/95/68/75/1193956875.db2.gz VQFWURKDTREDAC-DLBZAZTESA-N 2 0 395.592 0.706 20 0 GCADRP O=C(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC(F)F ZINC000280541446 1194003644 /nfs/dbraw/zinc/00/36/44/1194003644.db2.gz PSDFVXFUWMBDCH-UHFFFAOYSA-N 2 0 384.431 0.274 20 0 GCADRP CO[C@@H]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419399072 1194019378 /nfs/dbraw/zinc/01/93/78/1194019378.db2.gz IWAWUOJPQVAZNU-ZWKOTPCHSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404911 1194020781 /nfs/dbraw/zinc/02/07/81/1194020781.db2.gz UHLQJCCVOIITGN-IEBWSBKVSA-N 2 0 387.528 0.035 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419424335 1194025227 /nfs/dbraw/zinc/02/52/27/1194025227.db2.gz TVGVRDZZGXPGIE-UHFFFAOYSA-N 2 0 375.517 0.383 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425551 1194026323 /nfs/dbraw/zinc/02/63/23/1194026323.db2.gz VZEPGKJABWPLMG-RBUKOAKNSA-N 2 0 389.544 0.581 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427551 1194026489 /nfs/dbraw/zinc/02/64/89/1194026489.db2.gz ZFDBBASXXXRLMP-RTBURBONSA-N 2 0 387.528 0.350 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427178 1194027597 /nfs/dbraw/zinc/02/75/97/1194027597.db2.gz YTUZSNOGOCLUBF-RBUKOAKNSA-N 2 0 387.528 0.335 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000419410130 1194028632 /nfs/dbraw/zinc/02/86/32/1194028632.db2.gz OFZDLCCIDMPVKS-BBWFWOEESA-N 2 0 380.464 0.509 20 0 GCADRP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409573 1194029038 /nfs/dbraw/zinc/02/90/38/1194029038.db2.gz FIHHJDFJJPHHHM-GBESFXJTSA-N 2 0 388.512 0.603 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419412888 1194029789 /nfs/dbraw/zinc/02/97/89/1194029789.db2.gz DRJIIXREDUZBCY-UXHICEINSA-N 2 0 399.539 0.131 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000419411216 1194029815 /nfs/dbraw/zinc/02/98/15/1194029815.db2.gz BFISTCOIYCJCAP-IPMKNSEASA-N 2 0 388.512 0.904 20 0 GCADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419411243 1194029942 /nfs/dbraw/zinc/02/99/42/1194029942.db2.gz BIOQBQGHTKFNQM-GOSISDBHSA-N 2 0 390.528 0.355 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419411774 1194029956 /nfs/dbraw/zinc/02/99/56/1194029956.db2.gz BWCDPNDHMHEGGV-JOCHJYFZSA-N 2 0 399.539 0.527 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411951 1194030164 /nfs/dbraw/zinc/03/01/64/1194030164.db2.gz CJHGETAAOQRYBA-OALUTQOASA-N 2 0 387.528 0.335 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419413380 1194030255 /nfs/dbraw/zinc/03/02/55/1194030255.db2.gz FLIGFYDSBCWKFL-LJQANCHMSA-N 2 0 389.544 0.549 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000419414859 1194031250 /nfs/dbraw/zinc/03/12/50/1194031250.db2.gz HHFMNHHOLIIRJH-RBUKOAKNSA-N 2 0 387.528 0.302 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419445687 1194035624 /nfs/dbraw/zinc/03/56/24/1194035624.db2.gz FBQXQFPRVNGGOO-FGTMMUONSA-N 2 0 387.528 0.557 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419451280 1194037708 /nfs/dbraw/zinc/03/77/08/1194037708.db2.gz NAUMDQMGMNPMLG-DLBZAZTESA-N 2 0 380.464 0.163 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419480883 1194040779 /nfs/dbraw/zinc/04/07/79/1194040779.db2.gz NSUWMOALMNTTKX-IAGOWNOFSA-N 2 0 395.548 0.071 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419482509 1194041245 /nfs/dbraw/zinc/04/12/45/1194041245.db2.gz QKKWDFZPZLINAY-ZJPYXAASSA-N 2 0 382.549 0.825 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000419501241 1194046305 /nfs/dbraw/zinc/04/63/05/1194046305.db2.gz AZCQAICUWXVDLA-RBUKOAKNSA-N 2 0 388.512 0.857 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000419509622 1194048110 /nfs/dbraw/zinc/04/81/10/1194048110.db2.gz FODJZAVWRWICHU-SFHVURJKSA-N 2 0 389.544 0.867 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C[NH3+])C1 ZINC000419530679 1194049582 /nfs/dbraw/zinc/04/95/82/1194049582.db2.gz JWUCVUPBEMHUEJ-GDAAHCPNSA-N 2 0 388.512 0.588 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419514260 1194051479 /nfs/dbraw/zinc/05/14/79/1194051479.db2.gz NZSZFDBNOCCLHS-SFHVURJKSA-N 2 0 387.528 0.492 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419517549 1194052268 /nfs/dbraw/zinc/05/22/68/1194052268.db2.gz XCIXZUGKPBBAMB-UHFFFAOYSA-N 2 0 375.517 0.349 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCCCC[NH3+])CC2)c1 ZINC000419517775 1194052310 /nfs/dbraw/zinc/05/23/10/1194052310.db2.gz XFJJRGXYOFXSPJ-UHFFFAOYSA-N 2 0 375.517 0.478 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419522751 1194053606 /nfs/dbraw/zinc/05/36/06/1194053606.db2.gz NJRKIIDYZCBVQX-IAGOWNOFSA-N 2 0 395.548 0.069 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419522756 1194053667 /nfs/dbraw/zinc/05/36/67/1194053667.db2.gz NJRKIIDYZCBVQX-SJORKVTESA-N 2 0 395.548 0.069 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000419557798 1194054498 /nfs/dbraw/zinc/05/44/98/1194054498.db2.gz LQXBSCUMBPOMMT-ZBFHGGJFSA-N 2 0 382.530 0.599 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000419536749 1194055267 /nfs/dbraw/zinc/05/52/67/1194055267.db2.gz MLYLYOZQYHEHTA-ZWKOTPCHSA-N 2 0 376.501 0.633 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000419547824 1194056794 /nfs/dbraw/zinc/05/67/94/1194056794.db2.gz RYFDVQJTFYHCAB-JQHSSLGASA-N 2 0 376.501 0.618 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000419549850 1194057596 /nfs/dbraw/zinc/05/75/96/1194057596.db2.gz VWJOVUORZOIQPY-YTQUADARSA-N 2 0 390.528 0.926 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419549196 1194057860 /nfs/dbraw/zinc/05/78/60/1194057860.db2.gz VEPOFKDKDLJXPM-QZTJIDSGSA-N 2 0 376.501 0.680 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCSC1 ZINC000419577741 1194059768 /nfs/dbraw/zinc/05/97/68/1194059768.db2.gz DWGLSLQSTUFILU-MDZRGWNJSA-N 2 0 398.573 0.285 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000419581549 1194060289 /nfs/dbraw/zinc/06/02/89/1194060289.db2.gz IKBLTCQIMPHODJ-ZOCIIQOWSA-N 2 0 388.512 0.856 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000419581546 1194060449 /nfs/dbraw/zinc/06/04/49/1194060449.db2.gz IKBLTCQIMPHODJ-JVPBZIDWSA-N 2 0 388.512 0.856 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCSC1 ZINC000419579352 1194060479 /nfs/dbraw/zinc/06/04/79/1194060479.db2.gz HAFCXCRUOSYWLW-ZSZQSSIHSA-N 2 0 394.516 0.632 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCSC1 ZINC000419583857 1194060823 /nfs/dbraw/zinc/06/08/23/1194060823.db2.gz LQMVKRSUYJPJHI-FCEWJHQRSA-N 2 0 376.526 0.493 20 0 GCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000419565654 1194061983 /nfs/dbraw/zinc/06/19/83/1194061983.db2.gz ZXHYYNRAEAGYDI-PNBKFKSVSA-N 2 0 376.526 0.925 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000419585574 1194065690 /nfs/dbraw/zinc/06/56/90/1194065690.db2.gz GDMYHVBEFLHKOO-BBWFWOEESA-N 2 0 390.528 0.775 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCSC1 ZINC000419587684 1194066308 /nfs/dbraw/zinc/06/63/08/1194066308.db2.gz QCPGJZAMKKZDRG-LJQANCHMSA-N 2 0 378.542 0.918 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000419654469 1194074208 /nfs/dbraw/zinc/07/42/08/1194074208.db2.gz GMRLATUUGXVSRF-QAPCUYQASA-N 2 0 376.501 0.481 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419656812 1194074805 /nfs/dbraw/zinc/07/48/05/1194074805.db2.gz IZXUNSIRCAYBSO-AEFFLSMTSA-N 2 0 376.501 0.508 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000419657321 1194075445 /nfs/dbraw/zinc/07/54/45/1194075445.db2.gz JPXUCBTZQFJQJM-FQEVSTJZSA-N 2 0 376.501 0.483 20 0 GCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000419644701 1194075830 /nfs/dbraw/zinc/07/58/30/1194075830.db2.gz HSSXIQWWFJTJEJ-INIZCTEOSA-N 2 0 375.517 0.253 20 0 GCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000419644703 1194076327 /nfs/dbraw/zinc/07/63/27/1194076327.db2.gz HSSXIQWWFJTJEJ-MRXNPFEDSA-N 2 0 375.517 0.253 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000419647256 1194076501 /nfs/dbraw/zinc/07/65/01/1194076501.db2.gz AGOATEXITSBQCB-MSOLQXFVSA-N 2 0 388.512 0.639 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000419661373 1194076806 /nfs/dbraw/zinc/07/68/06/1194076806.db2.gz MNDPTONTYFRFNK-QZTJIDSGSA-N 2 0 388.512 0.354 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419661412 1194076963 /nfs/dbraw/zinc/07/69/63/1194076963.db2.gz MQKYIVHYVPOWCV-GOSISDBHSA-N 2 0 390.528 0.744 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000419663431 1194077639 /nfs/dbraw/zinc/07/76/39/1194077639.db2.gz PWXHFSPVTHMLJQ-NRFANRHFSA-N 2 0 388.512 0.498 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[NH2+]1 ZINC000419661442 1194077734 /nfs/dbraw/zinc/07/77/34/1194077734.db2.gz MTBLBKLQHYBNRI-IYBDPMFKSA-N 2 0 376.501 0.495 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C[NH3+] ZINC000419666257 1194078728 /nfs/dbraw/zinc/07/87/28/1194078728.db2.gz VQQXJFZRYACKGJ-VQIMIIECSA-N 2 0 390.528 0.872 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000419660638 1194082639 /nfs/dbraw/zinc/08/26/39/1194082639.db2.gz LGQIZMVDKSYYJO-UHFFFAOYSA-N 2 0 390.528 0.744 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419708205 1194083632 /nfs/dbraw/zinc/08/36/32/1194083632.db2.gz GYKWOPSPSSYJEX-YOEHRIQHSA-N 2 0 376.501 0.636 20 0 GCADRP CC(C)([NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419698046 1194086706 /nfs/dbraw/zinc/08/67/06/1194086706.db2.gz YFIJODVSZXCORT-UHFFFAOYSA-N 2 0 389.544 0.554 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1C[NH3+] ZINC000419696875 1194086864 /nfs/dbraw/zinc/08/68/64/1194086864.db2.gz VSFSPMJUZWGFNK-HZPDHXFCSA-N 2 0 382.574 0.908 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419735402 1194088484 /nfs/dbraw/zinc/08/84/84/1194088484.db2.gz QHFZCNLKRQAUKZ-OTWHNJEPSA-N 2 0 392.544 0.864 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000419748161 1194095564 /nfs/dbraw/zinc/09/55/64/1194095564.db2.gz FMJZHHSKGPBXEO-BHYGNILZSA-N 2 0 380.533 0.578 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000419746324 1194095882 /nfs/dbraw/zinc/09/58/82/1194095882.db2.gz BUGAYCGMOYRIFA-UHFFFAOYSA-N 2 0 394.560 0.984 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)CCCC2)CC1 ZINC000419750788 1194096956 /nfs/dbraw/zinc/09/69/56/1194096956.db2.gz JBCCFHDDDKYRGH-CVEARBPZSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)[C@H](C)C[NH2+]1 ZINC000419753917 1194097933 /nfs/dbraw/zinc/09/79/33/1194097933.db2.gz ZERTVIBCYGRZDL-HZPDHXFCSA-N 2 0 388.512 0.468 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419754687 1194098052 /nfs/dbraw/zinc/09/80/52/1194098052.db2.gz BQQDPEZMUBWCTE-CGTJXYLNSA-N 2 0 376.476 0.960 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419758245 1194098476 /nfs/dbraw/zinc/09/84/76/1194098476.db2.gz JRDKZIMUUNYDJR-XYJFISCASA-N 2 0 376.476 0.878 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000419761150 1194099044 /nfs/dbraw/zinc/09/90/44/1194099044.db2.gz PCXPRWBKXAMKPH-IRXDYDNUSA-N 2 0 380.464 0.338 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000419761146 1194099173 /nfs/dbraw/zinc/09/91/73/1194099173.db2.gz PCXPRWBKXAMKPH-DLBZAZTESA-N 2 0 380.464 0.338 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000419737929 1194099928 /nfs/dbraw/zinc/09/99/28/1194099928.db2.gz YJUGPAOBEJFLDA-ROUUACIJSA-N 2 0 376.501 0.763 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419772733 1194102651 /nfs/dbraw/zinc/10/26/51/1194102651.db2.gz ZCCNWGRKAJCPSX-RBUKOAKNSA-N 2 0 388.512 0.589 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419772729 1194102808 /nfs/dbraw/zinc/10/28/08/1194102808.db2.gz ZCCNWGRKAJCPSX-OALUTQOASA-N 2 0 388.512 0.589 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)C ZINC000419792862 1194104484 /nfs/dbraw/zinc/10/44/84/1194104484.db2.gz AUJRTKKMBVWFPL-AWEZNQCLSA-N 2 0 395.470 0.174 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419801682 1194106154 /nfs/dbraw/zinc/10/61/54/1194106154.db2.gz BNOUTJDNERXCQL-CRAIPNDOSA-N 2 0 376.501 0.920 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419818038 1194109142 /nfs/dbraw/zinc/10/91/42/1194109142.db2.gz IYRYGEIOUZEMQF-JCGIZDLHSA-N 2 0 376.476 0.927 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000419821510 1194110552 /nfs/dbraw/zinc/11/05/52/1194110552.db2.gz OQHWWQJYZAQKSG-ZWKOTPCHSA-N 2 0 390.484 0.053 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419824212 1194110602 /nfs/dbraw/zinc/11/06/02/1194110602.db2.gz MNPYBBXPJUXVMB-UWWQBHOKSA-N 2 0 376.476 0.927 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419825372 1194111173 /nfs/dbraw/zinc/11/11/73/1194111173.db2.gz QYWKFEPTHOILMH-UHFFFAOYSA-N 2 0 379.549 0.313 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000419812530 1194112714 /nfs/dbraw/zinc/11/27/14/1194112714.db2.gz GMAZVIFGJRCSNQ-KBAYOESNSA-N 2 0 380.533 0.579 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419848190 1194113762 /nfs/dbraw/zinc/11/37/62/1194113762.db2.gz UCLPRFMNSFPILT-ROUUACIJSA-N 2 0 381.565 0.508 20 0 GCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419850225 1194114172 /nfs/dbraw/zinc/11/41/72/1194114172.db2.gz DYZMDQBJSOAYBO-UHFFFAOYSA-N 2 0 389.544 0.297 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419838542 1194118377 /nfs/dbraw/zinc/11/83/77/1194118377.db2.gz GAEUDPCQHSWGMF-NUJGCVRESA-N 2 0 380.533 0.593 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419839904 1194118950 /nfs/dbraw/zinc/11/89/50/1194118950.db2.gz YVUITUOTHQFIIP-FUHWJXTLSA-N 2 0 375.517 0.192 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419855051 1194121945 /nfs/dbraw/zinc/12/19/45/1194121945.db2.gz HERLIAMYAVUEHL-QGZVFWFLSA-N 2 0 379.549 0.119 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419857898 1194123183 /nfs/dbraw/zinc/12/31/83/1194123183.db2.gz VRELFINCPGNWAB-NRFANRHFSA-N 2 0 388.512 0.340 20 0 GCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419861525 1194124738 /nfs/dbraw/zinc/12/47/38/1194124738.db2.gz FMEUFCZKKXYNOU-UHFFFAOYSA-N 2 0 381.546 0.050 20 0 GCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863720 1194125798 /nfs/dbraw/zinc/12/57/98/1194125798.db2.gz IBMZJWFQSBOCQH-IEBWSBKVSA-N 2 0 387.528 0.350 20 0 GCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000419873920 1194129072 /nfs/dbraw/zinc/12/90/72/1194129072.db2.gz SELSWGZPYNOGEV-KRWDZBQOSA-N 2 0 389.544 0.644 20 0 GCADRP CN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419884547 1194132897 /nfs/dbraw/zinc/13/28/97/1194132897.db2.gz ODZHPVNWCDLKLW-LJQANCHMSA-N 2 0 387.528 0.131 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000419887098 1194133502 /nfs/dbraw/zinc/13/35/02/1194133502.db2.gz QGJHZOMVESGFIP-UHFFFAOYSA-N 2 0 379.549 0.122 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419898468 1194136711 /nfs/dbraw/zinc/13/67/11/1194136711.db2.gz QYFPWGNVJOXHRH-ZWKOTPCHSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419898438 1194136903 /nfs/dbraw/zinc/13/69/03/1194136903.db2.gz ZTRRJQQSFFWTIQ-SFHVURJKSA-N 2 0 387.528 0.131 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000419928548 1194140184 /nfs/dbraw/zinc/14/01/84/1194140184.db2.gz LBQAXYFKOPUQSG-QGZVFWFLSA-N 2 0 383.452 0.555 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419907302 1194140885 /nfs/dbraw/zinc/14/08/85/1194140885.db2.gz BSRVEPCORNIVOW-SFHVURJKSA-N 2 0 380.533 0.453 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000419906730 1194141201 /nfs/dbraw/zinc/14/12/01/1194141201.db2.gz WZDCPOLUGFVYFQ-NEWSRXKRSA-N 2 0 388.512 0.810 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419908623 1194141470 /nfs/dbraw/zinc/14/14/70/1194141470.db2.gz IXIWEDTUADXROO-MOPGFXCFSA-N 2 0 395.592 0.898 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419907480 1194141478 /nfs/dbraw/zinc/14/14/78/1194141478.db2.gz XMOZRZXDHHWYFG-HUUCEWRRSA-N 2 0 375.473 0.243 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419939614 1194145956 /nfs/dbraw/zinc/14/59/56/1194145956.db2.gz RLGVQGSBNBJVCC-QGZVFWFLSA-N 2 0 379.549 0.262 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419942559 1194146451 /nfs/dbraw/zinc/14/64/51/1194146451.db2.gz GCFRTUGJMKJBHD-OXJNMPFZSA-N 2 0 376.501 0.054 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419984795 1194147417 /nfs/dbraw/zinc/14/74/17/1194147417.db2.gz AKHZPKBJFFHNET-QGZVFWFLSA-N 2 0 375.517 0.116 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)CC1 ZINC000419966782 1194149133 /nfs/dbraw/zinc/14/91/33/1194149133.db2.gz MCZSVEWXQXGNDJ-ROUUACIJSA-N 2 0 379.549 0.249 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)CC1 ZINC000419970452 1194149512 /nfs/dbraw/zinc/14/95/12/1194149512.db2.gz UUTJIQXBAVZIQU-IBGZPJMESA-N 2 0 393.576 0.496 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419977734 1194151288 /nfs/dbraw/zinc/15/12/88/1194151288.db2.gz NDFVDJLMADSZAC-SFHVURJKSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419976998 1194151397 /nfs/dbraw/zinc/15/13/97/1194151397.db2.gz MGFVQLQPYBSUJM-FGTMMUONSA-N 2 0 394.560 0.840 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419977731 1194151413 /nfs/dbraw/zinc/15/14/13/1194151413.db2.gz NDFVDJLMADSZAC-GOSISDBHSA-N 2 0 393.576 0.509 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419981258 1194151810 /nfs/dbraw/zinc/15/18/10/1194151810.db2.gz TWTFHOTZLGDALU-RXVVDRJESA-N 2 0 390.528 0.571 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419992820 1194153800 /nfs/dbraw/zinc/15/38/00/1194153800.db2.gz IBPRQDONTQMKKE-PXNSSMCTSA-N 2 0 376.501 0.181 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419999552 1194155373 /nfs/dbraw/zinc/15/53/73/1194155373.db2.gz NAHYEWAYWPASTR-WIYYLYMNSA-N 2 0 388.512 0.340 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420030648 1194160420 /nfs/dbraw/zinc/16/04/20/1194160420.db2.gz GPKTWIUPVRKIIN-GDBMZVCRSA-N 2 0 384.521 0.175 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420019560 1194163063 /nfs/dbraw/zinc/16/30/63/1194163063.db2.gz RFJGANLNJUXOHW-QYZOEREBSA-N 2 0 395.592 0.882 20 0 GCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420040455 1194166432 /nfs/dbraw/zinc/16/64/32/1194166432.db2.gz ZWWBFRAOZIBQNP-JKMZYOBQSA-N 2 0 392.544 0.579 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420043656 1194168250 /nfs/dbraw/zinc/16/82/50/1194168250.db2.gz OUDXQCBJFMGKIG-CYGHRXIMSA-N 2 0 380.533 0.578 20 0 GCADRP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420046375 1194168317 /nfs/dbraw/zinc/16/83/17/1194168317.db2.gz AAOGJNJDFBJKGB-SJORKVTESA-N 2 0 381.565 0.636 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420049105 1194169635 /nfs/dbraw/zinc/16/96/35/1194169635.db2.gz YCZHXAWXZZDNQO-DOTOQJQBSA-N 2 0 396.532 0.319 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420053073 1194170028 /nfs/dbraw/zinc/17/00/28/1194170028.db2.gz GCLKJEZVDRLGBE-NUJGCVRESA-N 2 0 379.549 0.247 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420050876 1194170321 /nfs/dbraw/zinc/17/03/21/1194170321.db2.gz FYRPTANYGYYUTE-UHFFFAOYSA-N 2 0 381.565 0.511 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420053072 1194170343 /nfs/dbraw/zinc/17/03/43/1194170343.db2.gz GCLKJEZVDRLGBE-JFIYKMOQSA-N 2 0 379.549 0.247 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000420055379 1194170810 /nfs/dbraw/zinc/17/08/10/1194170810.db2.gz GNHYXYKCPDKFCK-RKVPGOIHSA-N 2 0 380.533 0.578 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420055150 1194171019 /nfs/dbraw/zinc/17/10/19/1194171019.db2.gz HQBKFFUILLXIRY-HIFRSBDPSA-N 2 0 382.530 0.868 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420074150 1194172751 /nfs/dbraw/zinc/17/27/51/1194172751.db2.gz QCZYQSGXSXVCPU-ZIFCJYIRSA-N 2 0 393.576 0.637 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1)Cc1ccccc1 ZINC000420074714 1194173295 /nfs/dbraw/zinc/17/32/95/1194173295.db2.gz IRQBKNJSRSHMON-UHFFFAOYSA-N 2 0 375.517 0.116 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C[C@H](C)O1 ZINC000420082481 1194174427 /nfs/dbraw/zinc/17/44/27/1194174427.db2.gz JMHSDINNHZCIAB-FCEWJHQRSA-N 2 0 394.560 0.968 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000420081861 1194174549 /nfs/dbraw/zinc/17/45/49/1194174549.db2.gz OSTKAZXFEWXPFO-UHFFFAOYSA-N 2 0 381.565 0.637 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420083738 1194175200 /nfs/dbraw/zinc/17/52/00/1194175200.db2.gz UNYUNLIVNSMZIA-CALCHBBNSA-N 2 0 381.565 0.637 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064866 1194176020 /nfs/dbraw/zinc/17/60/20/1194176020.db2.gz PAHGKZKIZHLCKP-ZSYWTGECSA-N 2 0 393.576 0.637 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064865 1194176252 /nfs/dbraw/zinc/17/62/52/1194176252.db2.gz PAHGKZKIZHLCKP-RDGPPVDQSA-N 2 0 393.576 0.637 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH+](C)C ZINC000420102876 1194178547 /nfs/dbraw/zinc/17/85/47/1194178547.db2.gz QMFHHWHXROZJBJ-FOZNTRSISA-N 2 0 394.466 0.935 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420105366 1194178947 /nfs/dbraw/zinc/17/89/47/1194178947.db2.gz QIHMEZYTQGAGAW-HXUWFJFHSA-N 2 0 382.549 0.842 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420114093 1194179925 /nfs/dbraw/zinc/17/99/25/1194179925.db2.gz FPTJGXVGXKETNX-BDXSIMOUSA-N 2 0 379.549 0.260 20 0 GCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420093613 1194183725 /nfs/dbraw/zinc/18/37/25/1194183725.db2.gz WYXFNXUIYLTRDR-IRXDYDNUSA-N 2 0 394.560 0.840 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420115508 1194185436 /nfs/dbraw/zinc/18/54/36/1194185436.db2.gz FMYTYCMYTJGLEL-FGTMMUONSA-N 2 0 381.565 0.637 20 0 GCADRP COc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000420142151 1194192422 /nfs/dbraw/zinc/19/24/22/1194192422.db2.gz ZVUSTYJQBBCRNQ-SJLPKXTDSA-N 2 0 388.512 0.986 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501586095 1194195930 /nfs/dbraw/zinc/19/59/30/1194195930.db2.gz SXMMHISPLSYFDT-GOSISDBHSA-N 2 0 394.560 0.794 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420182403 1194197355 /nfs/dbraw/zinc/19/73/55/1194197355.db2.gz FGJBFYXUMBTINY-GOSISDBHSA-N 2 0 380.533 0.596 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000420183229 1194197753 /nfs/dbraw/zinc/19/77/53/1194197753.db2.gz GNNIDGUUWGHGPF-DOTOQJQBSA-N 2 0 376.501 0.829 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000501588892 1194197842 /nfs/dbraw/zinc/19/78/42/1194197842.db2.gz MFCHVXHWRZDCJN-KRWDZBQOSA-N 2 0 392.544 0.690 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589396 1194197931 /nfs/dbraw/zinc/19/79/31/1194197931.db2.gz PAGHOKQTXNDBQU-IEBWSBKVSA-N 2 0 394.560 0.936 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420184716 1194198346 /nfs/dbraw/zinc/19/83/46/1194198346.db2.gz BAQYTMTTZRHGLT-QZTJIDSGSA-N 2 0 382.549 0.827 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420186329 1194198742 /nfs/dbraw/zinc/19/87/42/1194198742.db2.gz APXBHCYVIPRPOB-MRXNPFEDSA-N 2 0 382.892 0.335 20 0 GCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420174469 1194201308 /nfs/dbraw/zinc/20/13/08/1194201308.db2.gz YPDHFVPCJSRXNE-SJORKVTESA-N 2 0 380.533 0.452 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000501601003 1194201647 /nfs/dbraw/zinc/20/16/47/1194201647.db2.gz UEHLAIRHNUCQML-ZWKOTPCHSA-N 2 0 394.560 0.842 20 0 GCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420198991 1194202399 /nfs/dbraw/zinc/20/23/99/1194202399.db2.gz MYRIHKUXCMUVJN-OALUTQOASA-N 2 0 388.512 0.462 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000420199197 1194202419 /nfs/dbraw/zinc/20/24/19/1194202419.db2.gz DNAWZFUMCNWMCX-DLBZAZTESA-N 2 0 388.512 0.732 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2CCSCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420202219 1194203860 /nfs/dbraw/zinc/20/38/60/1194203860.db2.gz JAKWFTSMIZVTPH-UHFFFAOYSA-N 2 0 376.526 0.672 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1)CC(C)C ZINC000420205794 1194205339 /nfs/dbraw/zinc/20/53/39/1194205339.db2.gz SHCBFABJNNHXNV-GOSISDBHSA-N 2 0 382.549 0.698 20 0 GCADRP CCOCCN(CC)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420207352 1194205623 /nfs/dbraw/zinc/20/56/23/1194205623.db2.gz QMWJYSIOBGJFCY-UHFFFAOYSA-N 2 0 390.528 0.981 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420187122 1194205802 /nfs/dbraw/zinc/20/58/02/1194205802.db2.gz LTYYCIMZZKGRFW-KRWDZBQOSA-N 2 0 396.919 0.725 20 0 GCADRP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420188519 1194205832 /nfs/dbraw/zinc/20/58/32/1194205832.db2.gz NALLDAOBBNWZTR-RTBURBONSA-N 2 0 388.512 0.604 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1)CC1CC1 ZINC000420187763 1194206418 /nfs/dbraw/zinc/20/64/18/1194206418.db2.gz BXLRIFQAAVKNFQ-GOSISDBHSA-N 2 0 380.533 0.452 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000420191221 1194207170 /nfs/dbraw/zinc/20/71/70/1194207170.db2.gz HMFAKTZWNXJDLD-IRXDYDNUSA-N 2 0 379.549 0.247 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@@H](F)C[C@@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420213882 1194213989 /nfs/dbraw/zinc/21/39/89/1194213989.db2.gz YYQNBMKPBXQBAY-DLBZAZTESA-N 2 0 392.475 0.027 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1 ZINC000501636438 1194216967 /nfs/dbraw/zinc/21/69/67/1194216967.db2.gz FKGINASMXPRBRC-QGZVFWFLSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501638012 1194217198 /nfs/dbraw/zinc/21/71/98/1194217198.db2.gz JTEBHSZZXCRVMQ-ROUUACIJSA-N 2 0 394.560 0.984 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501641922 1194218003 /nfs/dbraw/zinc/21/80/03/1194218003.db2.gz SDNPRMAMCURTDX-RVKKMQEKSA-N 2 0 378.517 0.202 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501651817 1194218541 /nfs/dbraw/zinc/21/85/41/1194218541.db2.gz YLEVNJDUKWASIQ-FUHWJXTLSA-N 2 0 394.560 0.840 20 0 GCADRP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000420347472 1194222554 /nfs/dbraw/zinc/22/25/54/1194222554.db2.gz GUVIBJZWOQVQQH-WMZOPIPTSA-N 2 0 390.528 0.731 20 0 GCADRP COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000420347471 1194222737 /nfs/dbraw/zinc/22/27/37/1194222737.db2.gz GUVIBJZWOQVQQH-SJLPKXTDSA-N 2 0 390.528 0.731 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000501827334 1194232201 /nfs/dbraw/zinc/23/22/01/1194232201.db2.gz KPHWRQWMBIZOOF-ABSDTBQOSA-N 2 0 390.528 0.850 20 0 GCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000647907943 1194282492 /nfs/dbraw/zinc/28/24/92/1194282492.db2.gz VSXKQDGQMAFLHA-SIUPPRGNSA-N 2 0 394.541 0.440 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000421125053 1194297055 /nfs/dbraw/zinc/29/70/55/1194297055.db2.gz GONHZRRHRPTCNV-BBWFWOEESA-N 2 0 382.549 0.839 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000421292094 1194323904 /nfs/dbraw/zinc/32/39/04/1194323904.db2.gz AAHWEYCZXUCTEP-IBGZPJMESA-N 2 0 387.528 0.925 20 0 GCADRP CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000502581311 1194338160 /nfs/dbraw/zinc/33/81/60/1194338160.db2.gz LYVMOEDKUJVRMH-QGZVFWFLSA-N 2 0 390.594 0.780 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)C1 ZINC000652727783 1194367995 /nfs/dbraw/zinc/36/79/95/1194367995.db2.gz GFMLXFUFLXPBJW-RDGPPVDQSA-N 2 0 392.544 0.818 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000422098305 1194384103 /nfs/dbraw/zinc/38/41/03/1194384103.db2.gz BTYQFTBINZQBKT-LJQANCHMSA-N 2 0 394.560 0.890 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422101230 1194385178 /nfs/dbraw/zinc/38/51/78/1194385178.db2.gz FHRRPXZTXDOUKP-SFHVURJKSA-N 2 0 398.548 0.125 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3=CC[N@H+](C)CC3)c2)CC1 ZINC000271847255 1194417231 /nfs/dbraw/zinc/41/72/31/1194417231.db2.gz GWEBJMDFBRDVEY-UHFFFAOYSA-N 2 0 385.512 0.751 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)C1 ZINC000652728653 1194444422 /nfs/dbraw/zinc/44/44/22/1194444422.db2.gz UWIRWUOUKUDFPT-MKXGPGLRSA-N 2 0 392.544 0.818 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000272646401 1194482345 /nfs/dbraw/zinc/48/23/45/1194482345.db2.gz ZJZJMOFIZCIURS-UHFFFAOYSA-N 2 0 378.517 0.783 20 0 GCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000273026878 1194532090 /nfs/dbraw/zinc/53/20/90/1194532090.db2.gz CXVFCMCTTFVIIW-MRXNPFEDSA-N 2 0 376.501 0.563 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)CC1 ZINC000422213048 1194592105 /nfs/dbraw/zinc/59/21/05/1194592105.db2.gz XZGMIGVJBVQUCR-UHFFFAOYSA-N 2 0 389.566 0.079 20 0 GCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422299931 1194608614 /nfs/dbraw/zinc/60/86/14/1194608614.db2.gz SVIDNBCJWPRTMC-GOSISDBHSA-N 2 0 395.592 0.852 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000422320395 1194613018 /nfs/dbraw/zinc/61/30/18/1194613018.db2.gz VMYPDKAYQOXGDZ-INIZCTEOSA-N 2 0 381.546 0.000 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000422325502 1194614728 /nfs/dbraw/zinc/61/47/28/1194614728.db2.gz KEIAGIWOAMLBKO-KURKYZTESA-N 2 0 382.549 0.792 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000422378180 1194627134 /nfs/dbraw/zinc/62/71/34/1194627134.db2.gz LTGJEBPEGKMURP-MOPGFXCFSA-N 2 0 388.512 0.422 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)CC2)CC1 ZINC000422425957 1194637950 /nfs/dbraw/zinc/63/79/50/1194637950.db2.gz NKCZZWCTHAUPFT-HKUYNNGSSA-N 2 0 393.576 0.604 20 0 GCADRP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000422468643 1194646215 /nfs/dbraw/zinc/64/62/15/1194646215.db2.gz AQRRKFAQIKNCOS-QGZVFWFLSA-N 2 0 385.468 0.521 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000422486393 1194655295 /nfs/dbraw/zinc/65/52/95/1194655295.db2.gz GTXQGHCVIJGNBC-INIZCTEOSA-N 2 0 389.500 0.587 20 0 GCADRP C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414666329 1194656604 /nfs/dbraw/zinc/65/66/04/1194656604.db2.gz WCHYSEBBSAFHDY-UHFFFAOYSA-N 2 0 391.516 0.366 20 0 GCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000422547344 1194668507 /nfs/dbraw/zinc/66/85/07/1194668507.db2.gz WNTNFSTXTCCQIV-GHTZIAJQSA-N 2 0 388.512 0.292 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1)N1CCOCC1 ZINC000414675763 1194679365 /nfs/dbraw/zinc/67/93/65/1194679365.db2.gz GOUXMALOWOUOQV-QGZVFWFLSA-N 2 0 378.473 0.436 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)N1CCOCC1 ZINC000414675930 1194679840 /nfs/dbraw/zinc/67/98/40/1194679840.db2.gz GXQRVHYPTPQECD-KRWDZBQOSA-N 2 0 390.484 0.580 20 0 GCADRP COc1cccc(CC(=O)N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414682662 1194689192 /nfs/dbraw/zinc/68/91/92/1194689192.db2.gz ACUCHMHUKRIVRR-GOSISDBHSA-N 2 0 388.512 0.579 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000422697493 1194689565 /nfs/dbraw/zinc/68/95/65/1194689565.db2.gz USZQUTXBXCALPO-QGZVFWFLSA-N 2 0 390.532 0.510 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC000422760454 1194695619 /nfs/dbraw/zinc/69/56/19/1194695619.db2.gz LUBQKYRJSOOLFS-HNNXBMFYSA-N 2 0 383.514 0.876 20 0 GCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000503638474 1194702529 /nfs/dbraw/zinc/70/25/29/1194702529.db2.gz YXUFHQUKXDARBD-IAGOWNOFSA-N 2 0 377.485 0.867 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880829 1194704769 /nfs/dbraw/zinc/70/47/69/1194704769.db2.gz OVKPAVYEIJCQOU-IRXDYDNUSA-N 2 0 382.549 0.840 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000422975340 1194714773 /nfs/dbraw/zinc/71/47/73/1194714773.db2.gz SOCYCDZOYQBFRP-NZSAHSFTSA-N 2 0 388.512 0.810 20 0 GCADRP CCOc1ccnc(N2CCC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000414711338 1194716948 /nfs/dbraw/zinc/71/69/48/1194716948.db2.gz RFXHUDQNYBUOEK-MRXNPFEDSA-N 2 0 376.505 0.585 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000423059703 1194722761 /nfs/dbraw/zinc/72/27/61/1194722761.db2.gz MRGJWLHYZUVXCA-KZNAEPCWSA-N 2 0 380.533 0.674 20 0 GCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423084935 1194726483 /nfs/dbraw/zinc/72/64/83/1194726483.db2.gz JDHJLQDNQVDDBS-SFHVURJKSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423101573 1194727302 /nfs/dbraw/zinc/72/73/02/1194727302.db2.gz WAOKPUOLJFSNRF-AEFFLSMTSA-N 2 0 376.476 0.926 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423101576 1194727396 /nfs/dbraw/zinc/72/73/96/1194727396.db2.gz WAOKPUOLJFSNRF-FUHWJXTLSA-N 2 0 376.476 0.926 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423103638 1194729662 /nfs/dbraw/zinc/72/96/62/1194729662.db2.gz XRUONONMIHQQBU-NVXWUHKLSA-N 2 0 376.476 0.784 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423128169 1194729730 /nfs/dbraw/zinc/72/97/30/1194729730.db2.gz KLIMGLWXVBVWHZ-SZMVWBNQSA-N 2 0 379.549 0.057 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423103639 1194729844 /nfs/dbraw/zinc/72/98/44/1194729844.db2.gz XRUONONMIHQQBU-RDJZCZTQSA-N 2 0 376.476 0.784 20 0 GCADRP CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423142713 1194733353 /nfs/dbraw/zinc/73/33/53/1194733353.db2.gz BINGFWFELKOCLZ-MOPGFXCFSA-N 2 0 388.512 0.686 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423169127 1194735049 /nfs/dbraw/zinc/73/50/49/1194735049.db2.gz VNRVRXBOAAEXFJ-IRXDYDNUSA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423168957 1194735133 /nfs/dbraw/zinc/73/51/33/1194735133.db2.gz VNRVRXBOAAEXFJ-IAGOWNOFSA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423170711 1194735599 /nfs/dbraw/zinc/73/55/99/1194735599.db2.gz YPJRDLCKHQCESK-QGZVFWFLSA-N 2 0 380.464 0.292 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)o1 ZINC000423171710 1194735681 /nfs/dbraw/zinc/73/56/81/1194735681.db2.gz PQWJNKWFSVIMBM-UHFFFAOYSA-N 2 0 394.516 0.835 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423210828 1194737429 /nfs/dbraw/zinc/73/74/29/1194737429.db2.gz XRPXDYHQBIIHOV-LMMKCTJWSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423210831 1194737464 /nfs/dbraw/zinc/73/74/64/1194737464.db2.gz XRPXDYHQBIIHOV-ZIFCJYIRSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423210817 1194737499 /nfs/dbraw/zinc/73/74/99/1194737499.db2.gz XPVFCOXXUAHIPX-IRXDYDNUSA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423210815 1194737519 /nfs/dbraw/zinc/73/75/19/1194737519.db2.gz XPVFCOXXUAHIPX-DLBZAZTESA-N 2 0 376.476 0.784 20 0 GCADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000414723130 1194737923 /nfs/dbraw/zinc/73/79/23/1194737923.db2.gz BGTYKDKNPIBWCB-UHFFFAOYSA-N 2 0 386.496 0.842 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423205608 1194739209 /nfs/dbraw/zinc/73/92/09/1194739209.db2.gz FEJUNJGGASSSPD-OTWHNJEPSA-N 2 0 393.576 0.591 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423203643 1194739227 /nfs/dbraw/zinc/73/92/27/1194739227.db2.gz CSEVIGWHOSKNNX-AKHDSKFASA-N 2 0 393.576 0.447 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423205396 1194739529 /nfs/dbraw/zinc/73/95/29/1194739529.db2.gz POPFKOGFERCUSI-JKSUJKDBSA-N 2 0 394.466 0.923 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000423204699 1194739650 /nfs/dbraw/zinc/73/96/50/1194739650.db2.gz OOWJEXAMOSLVGK-MXTNKPTQSA-N 2 0 394.560 0.778 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423217430 1194740826 /nfs/dbraw/zinc/74/08/26/1194740826.db2.gz UDVPMJUZYGSCQL-IAGOWNOFSA-N 2 0 381.565 0.447 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000423220451 1194741131 /nfs/dbraw/zinc/74/11/31/1194741131.db2.gz XZJSXLGEUMNVOM-IRXDYDNUSA-N 2 0 387.528 0.756 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000423221645 1194741181 /nfs/dbraw/zinc/74/11/81/1194741181.db2.gz XJYVUYGKRZCFNR-UHFFFAOYSA-N 2 0 394.560 0.795 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423219388 1194741193 /nfs/dbraw/zinc/74/11/93/1194741193.db2.gz WKXKENYDPOJZDP-OTWHNJEPSA-N 2 0 395.592 0.835 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000423220913 1194741361 /nfs/dbraw/zinc/74/13/61/1194741361.db2.gz YVFCCPGRHDKZTM-KURKYZTESA-N 2 0 393.576 0.589 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)c1 ZINC000423261900 1194742626 /nfs/dbraw/zinc/74/26/26/1194742626.db2.gz TWQHNPYEZRZNMW-GJZGRUSLSA-N 2 0 375.473 0.182 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423264303 1194743187 /nfs/dbraw/zinc/74/31/87/1194743187.db2.gz PUTZODCHVAPGOT-GOSISDBHSA-N 2 0 382.549 0.794 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423259393 1194744274 /nfs/dbraw/zinc/74/42/74/1194744274.db2.gz DQESWTQUPXIKFB-KRWDZBQOSA-N 2 0 398.548 0.017 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423261325 1194744326 /nfs/dbraw/zinc/74/43/26/1194744326.db2.gz JQLFXJWQARLKGX-MSOLQXFVSA-N 2 0 398.548 0.158 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000423258757 1194744383 /nfs/dbraw/zinc/74/43/83/1194744383.db2.gz CGDVIJOCWXOWHR-IBGZPJMESA-N 2 0 387.528 0.083 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)CCO1 ZINC000414730185 1194745362 /nfs/dbraw/zinc/74/53/62/1194745362.db2.gz AESDPGBLUYXUFM-OAHLLOKOSA-N 2 0 386.496 0.983 20 0 GCADRP O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000423308297 1194746460 /nfs/dbraw/zinc/74/64/60/1194746460.db2.gz IWYCEWRBXCJQFF-UHFFFAOYSA-N 2 0 392.544 0.548 20 0 GCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)CC2)CC1 ZINC000423304186 1194748544 /nfs/dbraw/zinc/74/85/44/1194748544.db2.gz NLGZBJKWRGLVBE-CTWPCTMYSA-N 2 0 391.560 0.215 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423394901 1194753188 /nfs/dbraw/zinc/75/31/88/1194753188.db2.gz SJRGNZDEEZEDFP-KRWDZBQOSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423399022 1194753555 /nfs/dbraw/zinc/75/35/55/1194753555.db2.gz VUMRBPNFWRYZQM-QFBILLFUSA-N 2 0 392.544 0.689 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423419331 1194753929 /nfs/dbraw/zinc/75/39/29/1194753929.db2.gz VUOPCUKYIBNIDR-QGZVFWFLSA-N 2 0 382.549 0.781 20 0 GCADRP Cc1ccc(OCC(=O)N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000414741708 1194754685 /nfs/dbraw/zinc/75/46/85/1194754685.db2.gz HPMKCLYGNUAMCD-GOSISDBHSA-N 2 0 388.512 0.715 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(C)C ZINC000423414573 1194755533 /nfs/dbraw/zinc/75/55/33/1194755533.db2.gz NEHZUGJCFKELFG-QGZVFWFLSA-N 2 0 382.549 0.778 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423451859 1194756174 /nfs/dbraw/zinc/75/61/74/1194756174.db2.gz VOLSSWGVOKJZMN-IBGZPJMESA-N 2 0 394.560 0.795 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423450111 1194756272 /nfs/dbraw/zinc/75/62/72/1194756272.db2.gz SJFNYZOGABQMJI-SJLPKXTDSA-N 2 0 382.549 0.779 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423452404 1194756417 /nfs/dbraw/zinc/75/64/17/1194756417.db2.gz WFGUNHWHBBYOAJ-RTBURBONSA-N 2 0 394.560 0.794 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000423432452 1194756830 /nfs/dbraw/zinc/75/68/30/1194756830.db2.gz OKKBUKHXXLTHOR-YTQUADARSA-N 2 0 392.544 0.676 20 0 GCADRP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423439249 1194757594 /nfs/dbraw/zinc/75/75/94/1194757594.db2.gz HVDNFZKVMPILFJ-RBUKOAKNSA-N 2 0 392.544 0.405 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423439670 1194757633 /nfs/dbraw/zinc/75/76/33/1194757633.db2.gz HWGYTFMRFNQVQN-OAQYLSRUSA-N 2 0 392.544 0.549 20 0 GCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423466979 1194758713 /nfs/dbraw/zinc/75/87/13/1194758713.db2.gz ABKXFHBFNBJYHQ-MOPGFXCFSA-N 2 0 388.512 0.543 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423497992 1194759536 /nfs/dbraw/zinc/75/95/36/1194759536.db2.gz AUWRMCGUFMPEKK-NXHRZFHOSA-N 2 0 379.549 0.342 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)C1 ZINC000423505871 1194759876 /nfs/dbraw/zinc/75/98/76/1194759876.db2.gz HMXYFGKFOPMZSW-BHIYHBOVSA-N 2 0 393.576 0.602 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423503140 1194759977 /nfs/dbraw/zinc/75/99/77/1194759977.db2.gz MPZZXVZCBDBFCP-JZXOWHBKSA-N 2 0 380.533 0.545 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000423484239 1194760487 /nfs/dbraw/zinc/76/04/87/1194760487.db2.gz UEDKJFJSDOVWJL-KRWDZBQOSA-N 2 0 376.501 0.653 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423528517 1194761131 /nfs/dbraw/zinc/76/11/31/1194761131.db2.gz NKDDLLNERRLJBB-OALUTQOASA-N 2 0 395.592 0.850 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423511508 1194761928 /nfs/dbraw/zinc/76/19/28/1194761928.db2.gz TYXUIKWRLNFSRM-VXNCWWDNSA-N 2 0 394.560 0.920 20 0 GCADRP C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517728 1194762159 /nfs/dbraw/zinc/76/21/59/1194762159.db2.gz OGYXAYNFHXVALE-AEFFLSMTSA-N 2 0 398.573 0.946 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000423513712 1194762310 /nfs/dbraw/zinc/76/23/10/1194762310.db2.gz RVUBUCKIMSXQHR-IBGZPJMESA-N 2 0 395.592 0.835 20 0 GCADRP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423527674 1194763318 /nfs/dbraw/zinc/76/33/18/1194763318.db2.gz MKODOAQPTODQIE-UHOSZYNNSA-N 2 0 393.576 0.732 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C[C@@H]21 ZINC000423590686 1194766916 /nfs/dbraw/zinc/76/69/16/1194766916.db2.gz GHFJDEFCIHRCEI-XWTMOSNGSA-N 2 0 378.517 0.143 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423565361 1194767264 /nfs/dbraw/zinc/76/72/64/1194767264.db2.gz BFVLUWBTUVEHFZ-IRXDYDNUSA-N 2 0 380.533 0.674 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000423576049 1194769138 /nfs/dbraw/zinc/76/91/38/1194769138.db2.gz XGDJXIWFMHGGPA-CBGDNZLLSA-N 2 0 388.512 0.291 20 0 GCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423612567 1194773606 /nfs/dbraw/zinc/77/36/06/1194773606.db2.gz PYIJNNCLLALTRW-UHFFFAOYSA-N 2 0 396.557 0.995 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423641256 1194776792 /nfs/dbraw/zinc/77/67/92/1194776792.db2.gz KPKZGUAQSZIMDT-LJQANCHMSA-N 2 0 387.528 0.212 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423644705 1194777346 /nfs/dbraw/zinc/77/73/46/1194777346.db2.gz NPUNFTZSDMQACV-UHFFFAOYSA-N 2 0 387.528 0.212 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000423646977 1194777718 /nfs/dbraw/zinc/77/77/18/1194777718.db2.gz MNJMKFBVNLUTNG-NUJGCVRESA-N 2 0 380.533 0.674 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)[C@H](C)C[NH2+]1 ZINC000423650426 1194779100 /nfs/dbraw/zinc/77/91/00/1194779100.db2.gz KSUKRVQEXPRMRQ-IAGOWNOFSA-N 2 0 380.533 0.546 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000423662929 1194780950 /nfs/dbraw/zinc/78/09/50/1194780950.db2.gz FYUFHUDTUCMJHP-ZWKOTPCHSA-N 2 0 380.533 0.676 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423669185 1194782417 /nfs/dbraw/zinc/78/24/17/1194782417.db2.gz XRIPUEWQPWOPES-CEXWTWQISA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423648857 1194782907 /nfs/dbraw/zinc/78/29/07/1194782907.db2.gz JBZPITRSMWKALK-XDNAFOTISA-N 2 0 379.549 0.199 20 0 GCADRP O=C(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423693285 1194783135 /nfs/dbraw/zinc/78/31/35/1194783135.db2.gz RVAVUAXKDSDFCM-VNTMZGSJSA-N 2 0 382.508 0.645 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423697158 1194783466 /nfs/dbraw/zinc/78/34/66/1194783466.db2.gz MNXUEZWYIKVNME-SJORKVTESA-N 2 0 380.533 0.689 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423673895 1194784152 /nfs/dbraw/zinc/78/41/52/1194784152.db2.gz GYEULXHBYNPPMQ-ZSYWTGECSA-N 2 0 393.576 0.732 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)c1 ZINC000423685279 1194785757 /nfs/dbraw/zinc/78/57/57/1194785757.db2.gz RVXJNRPWTFUOHA-GOEBONIOSA-N 2 0 375.473 0.467 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423690769 1194786187 /nfs/dbraw/zinc/78/61/87/1194786187.db2.gz YYKJBXJHCYWVHJ-IAGOWNOFSA-N 2 0 395.548 0.023 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423688354 1194786351 /nfs/dbraw/zinc/78/63/51/1194786351.db2.gz WJTWAPYFQMUKGX-FUHWJXTLSA-N 2 0 380.533 0.676 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000423688669 1194786355 /nfs/dbraw/zinc/78/63/55/1194786355.db2.gz BMWJHAODMVFZHB-GHTZIAJQSA-N 2 0 386.496 0.297 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000423688674 1194786465 /nfs/dbraw/zinc/78/64/65/1194786465.db2.gz BMWJHAODMVFZHB-RXVVDRJESA-N 2 0 386.496 0.297 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423719056 1194788510 /nfs/dbraw/zinc/78/85/10/1194788510.db2.gz BRVBNVXGOAHYPD-OALUTQOASA-N 2 0 395.592 0.709 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423718245 1194788526 /nfs/dbraw/zinc/78/85/26/1194788526.db2.gz KXEIIZOVENLZGR-PKOBYXMFSA-N 2 0 387.528 0.211 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)[C@H]1C[NH3+] ZINC000423718729 1194788555 /nfs/dbraw/zinc/78/85/55/1194788555.db2.gz BZXJFGVXWZBCJP-RYRKJORJSA-N 2 0 379.549 0.199 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423718242 1194788575 /nfs/dbraw/zinc/78/85/75/1194788575.db2.gz KXEIIZOVENLZGR-HKUYNNGSSA-N 2 0 387.528 0.211 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000423720662 1194788841 /nfs/dbraw/zinc/78/88/41/1194788841.db2.gz OCCPRMHMWKHJAQ-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423722239 1194789056 /nfs/dbraw/zinc/78/90/56/1194789056.db2.gz PPDZMRBYSJCTQJ-WMZOPIPTSA-N 2 0 379.549 0.214 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000423728622 1194789849 /nfs/dbraw/zinc/78/98/49/1194789849.db2.gz WEVNMNKBMOPWOP-OAHLLOKOSA-N 2 0 375.473 0.339 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000423728619 1194789926 /nfs/dbraw/zinc/78/99/26/1194789926.db2.gz WEVNMNKBMOPWOP-HNNXBMFYSA-N 2 0 375.473 0.339 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)c1 ZINC000423741794 1194790700 /nfs/dbraw/zinc/79/07/00/1194790700.db2.gz TWNOTNXAXBZIBU-HOCLYGCPSA-N 2 0 375.473 0.325 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423744675 1194791232 /nfs/dbraw/zinc/79/12/32/1194791232.db2.gz MXBZHRRHYWZEME-ZHALLVOQSA-N 2 0 394.560 0.935 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)CC1 ZINC000423748576 1194791753 /nfs/dbraw/zinc/79/17/53/1194791753.db2.gz ZOEFLVYFTPIKTD-MJGOQNOKSA-N 2 0 393.576 0.589 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)CC1 ZINC000423748577 1194791850 /nfs/dbraw/zinc/79/18/50/1194791850.db2.gz ZOEFLVYFTPIKTD-PKOBYXMFSA-N 2 0 393.576 0.589 20 0 GCADRP CC(C)(NS(C)(=O)=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018497 1194799194 /nfs/dbraw/zinc/79/91/94/1194799194.db2.gz JGNYUTHXFXEOFY-UHFFFAOYSA-N 2 0 382.530 0.424 20 0 GCADRP CC(C)NC(=O)CN(C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016678 1194799314 /nfs/dbraw/zinc/79/93/14/1194799314.db2.gz DBQXESIWXDFPKV-UHFFFAOYSA-N 2 0 389.544 0.553 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000414780329 1194807297 /nfs/dbraw/zinc/80/72/97/1194807297.db2.gz SUNVZEOPGMAXKL-KRWDZBQOSA-N 2 0 390.484 0.676 20 0 GCADRP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302012 1194808545 /nfs/dbraw/zinc/80/85/45/1194808545.db2.gz YRUJZBWTVCFXHB-ZDUSSCGKSA-N 2 0 396.513 0.745 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424455149 1194813426 /nfs/dbraw/zinc/81/34/26/1194813426.db2.gz MWIMAXCEIHLHLS-MRXNPFEDSA-N 2 0 375.517 0.782 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000424454813 1194815100 /nfs/dbraw/zinc/81/51/00/1194815100.db2.gz MEACGXXHPIZHQY-APWZRJJASA-N 2 0 387.528 0.877 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)CC[NH2+]CC2 ZINC000424492785 1194816933 /nfs/dbraw/zinc/81/69/33/1194816933.db2.gz IXZBHBQZTFTITN-QGZVFWFLSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)CC[NH2+]CC2 ZINC000424496641 1194817852 /nfs/dbraw/zinc/81/78/52/1194817852.db2.gz UTQWXLQSABHAIP-ZWKOTPCHSA-N 2 0 392.544 0.548 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424528068 1194819094 /nfs/dbraw/zinc/81/90/94/1194819094.db2.gz TWNFNHGMOQYPSW-INIZCTEOSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)CC[NH2+]CC2 ZINC000424509820 1194819290 /nfs/dbraw/zinc/81/92/90/1194819290.db2.gz QTBRSFLIPMOORI-IRXDYDNUSA-N 2 0 380.533 0.594 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424539984 1194820355 /nfs/dbraw/zinc/82/03/55/1194820355.db2.gz FWMOJSHRRJYLGX-IXDOHACOSA-N 2 0 376.505 0.006 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424524712 1194821896 /nfs/dbraw/zinc/82/18/96/1194821896.db2.gz QCHDDPZXDPORHW-KSZLIROESA-N 2 0 384.484 0.092 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424547513 1194823550 /nfs/dbraw/zinc/82/35/50/1194823550.db2.gz OPDABMULDCCQLG-DLBZAZTESA-N 2 0 376.505 0.006 20 0 GCADRP CC(C)C[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N1CCOCC1 ZINC000424549411 1194824014 /nfs/dbraw/zinc/82/40/14/1194824014.db2.gz MHJBQMGKZJZCNZ-QZTJIDSGSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424554127 1194824434 /nfs/dbraw/zinc/82/44/34/1194824434.db2.gz RUCABFJWLFKEBK-HYVNUMGLSA-N 2 0 390.532 0.300 20 0 GCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424561382 1194824720 /nfs/dbraw/zinc/82/47/20/1194824720.db2.gz YTDLIVZRPJKIQW-OKZBNKHCSA-N 2 0 390.532 0.444 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414803928 1194826728 /nfs/dbraw/zinc/82/67/28/1194826728.db2.gz DGYCFRAAMVUXFL-UHFFFAOYSA-N 2 0 375.473 0.096 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC1 ZINC000434354771 1194841583 /nfs/dbraw/zinc/84/15/83/1194841583.db2.gz KESQTOBIEFNGNY-GOSISDBHSA-N 2 0 381.565 0.909 20 0 GCADRP O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414849422 1194856774 /nfs/dbraw/zinc/85/67/74/1194856774.db2.gz XLGGQRKFPAXTJJ-UHFFFAOYSA-N 2 0 389.500 0.121 20 0 GCADRP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414864486 1194884053 /nfs/dbraw/zinc/88/40/53/1194884053.db2.gz CTMCSTAWALXHBS-JOCHJYFZSA-N 2 0 394.475 0.982 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000664473472 1194895917 /nfs/dbraw/zinc/89/59/17/1194895917.db2.gz RNZSJLZSNDBGJO-IAGOWNOFSA-N 2 0 383.537 0.026 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664475069 1194898217 /nfs/dbraw/zinc/89/82/17/1194898217.db2.gz LTCPDNXHFQRXAE-ZCNNSNEGSA-N 2 0 394.560 0.995 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664475067 1194898332 /nfs/dbraw/zinc/89/83/32/1194898332.db2.gz LTCPDNXHFQRXAE-VAMGGRTRSA-N 2 0 394.560 0.995 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000514737629 1194898634 /nfs/dbraw/zinc/89/86/34/1194898634.db2.gz ZAJWXSAPMKSFPD-UHFFFAOYSA-N 2 0 390.528 0.981 20 0 GCADRP Cn1cc(-c2csc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n2)cn1 ZINC000514729484 1194900939 /nfs/dbraw/zinc/90/09/39/1194900939.db2.gz JMFQOOFSFGLUAD-UHFFFAOYSA-N 2 0 393.517 0.434 20 0 GCADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccnc(OCC[NH+](C)C)c3)CC2)C1=O ZINC000425303948 1194902757 /nfs/dbraw/zinc/90/27/57/1194902757.db2.gz GDKISWLFKAJJDI-QGZVFWFLSA-N 2 0 389.500 0.447 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000514802090 1194912479 /nfs/dbraw/zinc/91/24/79/1194912479.db2.gz RPANYBZJGCPWGA-UHFFFAOYSA-N 2 0 380.533 0.546 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C[C@H]21 ZINC000515053396 1194942281 /nfs/dbraw/zinc/94/22/81/1194942281.db2.gz XKLBJASCJRCFMD-RCCFBDPRSA-N 2 0 378.517 0.143 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000515233096 1194959309 /nfs/dbraw/zinc/95/93/09/1194959309.db2.gz NIMSWVBTGULBRJ-FUHWJXTLSA-N 3 0 393.507 0.031 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000425403765 1194959423 /nfs/dbraw/zinc/95/94/23/1194959423.db2.gz ONYKZGJTQDZTCT-YDZRNGNQSA-N 2 0 391.560 0.023 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425407612 1194962256 /nfs/dbraw/zinc/96/22/56/1194962256.db2.gz VRNDSIHJGXXUPO-PKOBYXMFSA-N 2 0 394.560 0.888 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000515391415 1194970998 /nfs/dbraw/zinc/97/09/98/1194970998.db2.gz PCIUYSXREPCUDW-ROUUACIJSA-N 2 0 393.576 0.604 20 0 GCADRP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414875288 1194973705 /nfs/dbraw/zinc/97/37/05/1194973705.db2.gz JABCEGFHTPOUOC-UHFFFAOYSA-N 2 0 391.516 0.366 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000515500879 1194978742 /nfs/dbraw/zinc/97/87/42/1194978742.db2.gz QNPLRKVHCIBJEA-WBVHZDCISA-N 2 0 391.520 0.137 20 0 GCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000425438809 1194979095 /nfs/dbraw/zinc/97/90/95/1194979095.db2.gz DLFSBHWNVJJBEA-MRXNPFEDSA-N 2 0 383.537 0.326 20 0 GCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)NC(=O)NCc1cccs1 ZINC000436057400 1194982634 /nfs/dbraw/zinc/98/26/34/1194982634.db2.gz VTIZYZITFZZNJM-CYBMUJFWSA-N 2 0 381.502 0.393 20 0 GCADRP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436060563 1194982923 /nfs/dbraw/zinc/98/29/23/1194982923.db2.gz RDITWXBNTLVAAY-AWEZNQCLSA-N 2 0 384.502 0.032 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000652732338 1194987751 /nfs/dbraw/zinc/98/77/51/1194987751.db2.gz JEHNWCLMHNSYNW-QZTJIDSGSA-N 2 0 380.533 0.676 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000505774095 1194990709 /nfs/dbraw/zinc/99/07/09/1194990709.db2.gz VBVGJUSZBRSMKZ-QZTJIDSGSA-N 2 0 392.548 0.777 20 0 GCADRP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)c(N2CC[NH+](C[C@@H](C)O)CC2)nc1C ZINC000436436245 1195005282 /nfs/dbraw/zinc/00/52/82/1195005282.db2.gz VLNIZYGKUOHCRO-HZPDHXFCSA-N 2 0 392.548 0.099 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000286681414 1195010132 /nfs/dbraw/zinc/01/01/32/1195010132.db2.gz SJZOEJFWDGJIHP-NZSAHSFTSA-N 2 0 388.512 0.603 20 0 GCADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000516067811 1195017989 /nfs/dbraw/zinc/01/79/89/1195017989.db2.gz IWCZHRUHGRRNIE-UONOGXRCSA-N 2 0 391.497 0.598 20 0 GCADRP C[NH+]1CCC(CNC(=O)NC2CC[NH+](CC3CC3)CC2)(N2CCOCC2)CC1 ZINC000516257072 1195037506 /nfs/dbraw/zinc/03/75/06/1195037506.db2.gz ORIFKHQTFGPRHX-UHFFFAOYSA-N 2 0 393.576 0.957 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000516629826 1195078850 /nfs/dbraw/zinc/07/88/50/1195078850.db2.gz UUPVJRZWHLOFSN-UHFFFAOYSA-N 2 0 382.549 0.888 20 0 GCADRP [NH3+]CC1(O)CC[NH+](CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000516774560 1195096455 /nfs/dbraw/zinc/09/64/55/1195096455.db2.gz WGXRIKYLBCQBFO-UHFFFAOYSA-N 2 0 398.910 0.909 20 0 GCADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506037916 1195100652 /nfs/dbraw/zinc/10/06/52/1195100652.db2.gz WXDNJDXHRVYYGG-HKUYNNGSSA-N 2 0 394.560 0.923 20 0 GCADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)C1 ZINC000516920948 1195112749 /nfs/dbraw/zinc/11/27/49/1195112749.db2.gz DYRNCHYBRNMNGR-MJGOQNOKSA-N 2 0 392.544 0.818 20 0 GCADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506052671 1195113600 /nfs/dbraw/zinc/11/36/00/1195113600.db2.gz XGHGLVKSZNAMIZ-INIZCTEOSA-N 2 0 384.521 0.672 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000516989988 1195121463 /nfs/dbraw/zinc/12/14/63/1195121463.db2.gz XMIIYXCFSNPVGQ-UHFFFAOYSA-N 2 0 382.549 0.936 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000517045085 1195129576 /nfs/dbraw/zinc/12/95/76/1195129576.db2.gz NXOHUULZCOHGBC-OALUTQOASA-N 2 0 395.592 0.755 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000517045086 1195129649 /nfs/dbraw/zinc/12/96/49/1195129649.db2.gz NXOHUULZCOHGBC-RBUKOAKNSA-N 2 0 395.592 0.755 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000517045081 1195129674 /nfs/dbraw/zinc/12/96/74/1195129674.db2.gz NXOHUULZCOHGBC-MOPGFXCFSA-N 2 0 395.592 0.755 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000549993217 1195140901 /nfs/dbraw/zinc/14/09/01/1195140901.db2.gz MZIOHPPHHTWPGJ-SFHVURJKSA-N 2 0 382.549 0.935 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000549995319 1195166897 /nfs/dbraw/zinc/16/68/97/1195166897.db2.gz VVOSPYCOYLPOEB-MRXNPFEDSA-N 2 0 380.533 0.689 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC4(C[C@H]3C)CC[NH2+]CC4)C2)CC1 ZINC000517358516 1195173170 /nfs/dbraw/zinc/17/31/70/1195173170.db2.gz GHHUUYTWVUYZEE-QZTJIDSGSA-N 2 0 391.560 0.215 20 0 GCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000517395884 1195178546 /nfs/dbraw/zinc/17/85/46/1195178546.db2.gz UCMNRMUIXFLEOX-UXHICEINSA-N 2 0 399.539 0.273 20 0 GCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517405162 1195179609 /nfs/dbraw/zinc/17/96/09/1195179609.db2.gz CAZMNMGNTADXIT-QGZVFWFLSA-N 2 0 381.521 0.080 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438331946 1195206611 /nfs/dbraw/zinc/20/66/11/1195206611.db2.gz PHIZGXCKUWPUSA-KRWDZBQOSA-N 2 0 378.521 1.553 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000517755965 1195213570 /nfs/dbraw/zinc/21/35/70/1195213570.db2.gz AXKWLMJYFNGWCL-IRXDYDNUSA-N 2 0 382.574 0.908 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000517993774 1195236523 /nfs/dbraw/zinc/23/65/23/1195236523.db2.gz DXNLHVAZAHQZRT-KRWDZBQOSA-N 2 0 394.560 0.936 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn2c1OCCC2 ZINC000518022691 1195239520 /nfs/dbraw/zinc/23/95/20/1195239520.db2.gz JNYIKCLRWDGFJV-HNNXBMFYSA-N 2 0 385.534 0.702 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000518140592 1195254184 /nfs/dbraw/zinc/25/41/84/1195254184.db2.gz CRDVOXFJTZKLPE-LSDHHAIUSA-N 2 0 393.454 0.186 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCC(C)CC1 ZINC000518247547 1195271367 /nfs/dbraw/zinc/27/13/67/1195271367.db2.gz FKUQRWRTKVMBQV-BHIYHBOVSA-N 2 0 394.560 0.717 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(CCOC)c1 ZINC000438996237 1195276695 /nfs/dbraw/zinc/27/66/95/1195276695.db2.gz DMWAEQWLUZJTQX-MRXNPFEDSA-N 2 0 387.550 0.566 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000518360321 1195282788 /nfs/dbraw/zinc/28/27/88/1195282788.db2.gz QMBCHBHGLVOYPM-ZHALLVOQSA-N 2 0 394.560 0.922 20 0 GCADRP C[N@@H+]1CCN(CCC[NH2+]CC2(O)CCS(=O)(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000518361483 1195283308 /nfs/dbraw/zinc/28/33/08/1195283308.db2.gz ANHNKYGIHLCUIO-LJQANCHMSA-N 2 0 395.569 0.895 20 0 GCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000439227552 1195299058 /nfs/dbraw/zinc/29/90/58/1195299058.db2.gz UJNDLXUEIHJCEY-LJQANCHMSA-N 2 0 382.549 0.839 20 0 GCADRP [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000518531916 1195300086 /nfs/dbraw/zinc/30/00/86/1195300086.db2.gz HORFTAMCCWRYSA-KSZLIROESA-N 2 0 389.475 0.615 20 0 GCADRP [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000518531915 1195300290 /nfs/dbraw/zinc/30/02/90/1195300290.db2.gz HORFTAMCCWRYSA-BZSNNMDCSA-N 2 0 389.475 0.615 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000518737506 1195324938 /nfs/dbraw/zinc/32/49/38/1195324938.db2.gz IVXSLLIAXZSOKM-SJLPKXTDSA-N 2 0 376.501 0.460 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426571258 1195384847 /nfs/dbraw/zinc/38/48/47/1195384847.db2.gz TYHVDKCEVVVILN-CEXWTWQISA-N 2 0 382.549 0.756 20 0 GCADRP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)NC[C@H]3CC[N@@H+](CC)C3)O2)C1 ZINC000426648113 1195412829 /nfs/dbraw/zinc/41/28/29/1195412829.db2.gz RMKBTOMRDBFANR-FZDBZEDMSA-N 2 0 380.533 0.450 20 0 GCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000262037385 1195433655 /nfs/dbraw/zinc/43/36/55/1195433655.db2.gz KTJAHLKQIUCNLV-QGZVFWFLSA-N 2 0 394.541 0.581 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000550099349 1195435338 /nfs/dbraw/zinc/43/53/38/1195435338.db2.gz OAIDXJYZRJPQPA-QGZVFWFLSA-N 2 0 382.549 0.839 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000550096832 1195435398 /nfs/dbraw/zinc/43/53/98/1195435398.db2.gz LXLYKQMJKNGKKV-QGZVFWFLSA-N 2 0 382.549 0.698 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550096824 1195435483 /nfs/dbraw/zinc/43/54/83/1195435483.db2.gz LPKKOCQETDGRMH-FGTMMUONSA-N 2 0 398.548 0.075 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000550096137 1195435645 /nfs/dbraw/zinc/43/56/45/1195435645.db2.gz VCDWZOFZLYGICB-DLBZAZTESA-N 2 0 377.489 0.347 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000519556668 1195445406 /nfs/dbraw/zinc/44/54/06/1195445406.db2.gz PCJKMOFIVAKSTN-FUHWJXTLSA-N 2 0 383.496 0.999 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000550135900 1195446491 /nfs/dbraw/zinc/44/64/91/1195446491.db2.gz UUXHANVGNTVJRZ-QGZVFWFLSA-N 2 0 395.548 0.036 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000550136154 1195446735 /nfs/dbraw/zinc/44/67/35/1195446735.db2.gz ADRKCJYKBBRTDV-UHFFFAOYSA-N 2 0 381.565 0.321 20 0 GCADRP CC[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000519593184 1195500421 /nfs/dbraw/zinc/50/04/21/1195500421.db2.gz XRUIPLZUEVNIQE-MOPGFXCFSA-N 2 0 387.528 0.041 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000550284523 1195514288 /nfs/dbraw/zinc/51/42/88/1195514288.db2.gz SELUNRLRRCAUFZ-UHFFFAOYSA-N 2 0 395.592 0.757 20 0 GCADRP COC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)NC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000427496240 1195545949 /nfs/dbraw/zinc/54/59/49/1195545949.db2.gz VELUTEDSDBBYIP-BMGDILEWSA-N 2 0 378.517 0.487 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)n2)CC1 ZINC000427524885 1195548575 /nfs/dbraw/zinc/54/85/75/1195548575.db2.gz MVEWPPLLIMYRSK-RDJZCZTQSA-N 2 0 388.516 1.031 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427544927 1195548934 /nfs/dbraw/zinc/54/89/34/1195548934.db2.gz DKXNIJZFFYJRMM-NVXWUHKLSA-N 2 0 390.532 1.420 20 0 GCADRP CC(C)C[C@H](CNC(=O)N1CCN(CCC(=O)N(C)C)CC1)N1CCOCC1 ZINC000473870095 1195553491 /nfs/dbraw/zinc/55/34/91/1195553491.db2.gz AYBNPHJILFDRPT-GOSISDBHSA-N 2 0 397.564 0.539 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000519724748 1195565900 /nfs/dbraw/zinc/56/59/00/1195565900.db2.gz TUPBVBRBLKRIPN-IBGZPJMESA-N 2 0 393.576 0.461 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000519755564 1195569340 /nfs/dbraw/zinc/56/93/40/1195569340.db2.gz VXMYIYVGSYOFEE-HZPDHXFCSA-N 2 0 380.558 0.532 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550312152 1195570488 /nfs/dbraw/zinc/57/04/88/1195570488.db2.gz OEQCFTUZJIQFMB-CALCHBBNSA-N 2 0 382.549 0.792 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000415592329 1195570982 /nfs/dbraw/zinc/57/09/82/1195570982.db2.gz BVIHLGHVVFPGCS-KRWDZBQOSA-N 2 0 378.473 0.532 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440987066 1195596215 /nfs/dbraw/zinc/59/62/15/1195596215.db2.gz VZWPQXNQNLFKGR-GOSISDBHSA-N 2 0 382.597 0.585 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000550320150 1195599958 /nfs/dbraw/zinc/59/99/58/1195599958.db2.gz UTDOYDJDQMQSNQ-QGZVFWFLSA-N 2 0 394.560 0.984 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000520237089 1195609592 /nfs/dbraw/zinc/60/95/92/1195609592.db2.gz QDZAHVVSPHONRF-UHFFFAOYSA-N 2 0 396.580 0.254 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000550328235 1195633647 /nfs/dbraw/zinc/63/36/47/1195633647.db2.gz ISUQNHHGRLWIBB-UHFFFAOYSA-N 2 0 382.549 0.986 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CCCCC1 ZINC000550326815 1195633651 /nfs/dbraw/zinc/63/36/51/1195633651.db2.gz NMLNSVUJOPJKKZ-UHFFFAOYSA-N 2 0 382.549 0.672 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000550371462 1195646366 /nfs/dbraw/zinc/64/63/66/1195646366.db2.gz AMEAUHICAKDVIM-LJQANCHMSA-N 2 0 393.576 0.602 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550383321 1195651478 /nfs/dbraw/zinc/65/14/78/1195651478.db2.gz GMINURIGIKHILR-CEXWTWQISA-N 2 0 393.576 0.460 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000550383559 1195651730 /nfs/dbraw/zinc/65/17/30/1195651730.db2.gz MIVOLAJOZNYYEU-RBUKOAKNSA-N 2 0 393.576 0.461 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976694 1195652239 /nfs/dbraw/zinc/65/22/39/1195652239.db2.gz SCGZUFIPUHNRIF-HUUCEWRRSA-N 2 0 380.514 0.984 20 0 GCADRP O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000579461743 1195773014 /nfs/dbraw/zinc/77/30/14/1195773014.db2.gz PBVFDQRJVPLFNG-UHFFFAOYSA-N 2 0 392.544 0.549 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1=CC[N@H+](C)CC1 ZINC000520646709 1195812358 /nfs/dbraw/zinc/81/23/58/1195812358.db2.gz BSPCHXKFQKNINB-OAHLLOKOSA-N 2 0 389.500 0.405 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000441736708 1195830699 /nfs/dbraw/zinc/83/06/99/1195830699.db2.gz BQAAPXQSQNEDPM-DLBZAZTESA-N 2 0 398.467 0.700 20 0 GCADRP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC4CC[NH+](C)CC4)nc3)C[C@H]2C1 ZINC000427879260 1195886681 /nfs/dbraw/zinc/88/66/81/1195886681.db2.gz BYTRTAANXLFWHR-GASCZTMLSA-N 2 0 387.484 0.513 20 0 GCADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)O2)CCC[NH+]1C ZINC000427898321 1195891080 /nfs/dbraw/zinc/89/10/80/1195891080.db2.gz AIFALPJLVKMJNA-KKFZBWNWSA-N 2 0 380.533 0.732 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)c2)CC1 ZINC000441989490 1195940016 /nfs/dbraw/zinc/94/00/16/1195940016.db2.gz WFYSWIZQVMAYQL-GOSISDBHSA-N 2 0 385.512 0.725 20 0 GCADRP CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000520989979 1195947707 /nfs/dbraw/zinc/94/77/07/1195947707.db2.gz LQMHDJGEBCDRKQ-AEFFLSMTSA-N 2 0 392.544 0.377 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000550455840 1195964474 /nfs/dbraw/zinc/96/44/74/1195964474.db2.gz OJDUXXOZNODXIP-IBGZPJMESA-N 2 0 394.560 0.936 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550455717 1195966052 /nfs/dbraw/zinc/96/60/52/1195966052.db2.gz CFQKZGANIGAMBG-MSOLQXFVSA-N 2 0 382.549 0.554 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCCO1 ZINC000521233917 1195981071 /nfs/dbraw/zinc/98/10/71/1195981071.db2.gz WTTMMHPWFGTZIO-ZWKOTPCHSA-N 2 0 380.533 0.548 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000521286726 1195984988 /nfs/dbraw/zinc/98/49/88/1195984988.db2.gz DMEMCFXVLRIQQD-LJQANCHMSA-N 2 0 394.560 0.794 20 0 GCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000521286719 1195985061 /nfs/dbraw/zinc/98/50/61/1195985061.db2.gz DMEMCFXVLRIQQD-IBGZPJMESA-N 2 0 394.560 0.794 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000521318931 1195987831 /nfs/dbraw/zinc/98/78/31/1195987831.db2.gz VLYYSVMEFHLMPW-MSOLQXFVSA-N 2 0 394.560 0.794 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000521479990 1195997936 /nfs/dbraw/zinc/99/79/36/1195997936.db2.gz PXZQFTFBSYNPDE-SFHVURJKSA-N 2 0 390.528 0.804 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442761044 1196001273 /nfs/dbraw/zinc/00/12/73/1196001273.db2.gz OTOSBVNFKUUPRK-HZPDHXFCSA-N 2 0 383.514 0.755 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775112 1196002582 /nfs/dbraw/zinc/00/25/82/1196002582.db2.gz BKBORIRVFOASTA-CVEARBPZSA-N 2 0 380.514 0.189 20 0 GCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061369 1196017571 /nfs/dbraw/zinc/01/75/71/1196017571.db2.gz RJTHDRDIEDXEID-GDBMZVCRSA-N 2 0 382.530 0.442 20 0 GCADRP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065475 1196017599 /nfs/dbraw/zinc/01/75/99/1196017599.db2.gz ZXBHPTJBYJFCOA-KBPBESRZSA-N 2 0 380.514 0.672 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443059319 1196018701 /nfs/dbraw/zinc/01/87/01/1196018701.db2.gz MKMAMYBDVWNNJM-INIZCTEOSA-N 2 0 382.530 0.444 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@@H]2CC)CC[NH+]1C ZINC001087578798 1196050227 /nfs/dbraw/zinc/05/02/27/1196050227.db2.gz PLZKFYULFCRMJL-MWDXBVQZSA-N 2 0 393.532 0.628 20 0 GCADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 ZINC000429680029 1196060378 /nfs/dbraw/zinc/06/03/78/1196060378.db2.gz GTMUPWYBTYJJHT-UHFFFAOYSA-N 2 0 386.606 0.597 20 0 GCADRP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895297334 1196079169 /nfs/dbraw/zinc/07/91/69/1196079169.db2.gz CDWPQQJZAXHAGA-ROUUACIJSA-N 2 0 396.532 0.108 20 0 GCADRP C[NH+](C)C(C)(C)CNC(=O)c1cc(=O)cc(C(=O)NCC(C)(C)[NH+](C)C)o1 ZINC000665357159 1196079402 /nfs/dbraw/zinc/07/94/02/1196079402.db2.gz GMXAISPNEBHOAQ-UHFFFAOYSA-N 2 0 380.489 0.780 20 0 GCADRP C[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)(N2CCOCC2)CC1 ZINC000895333951 1196083083 /nfs/dbraw/zinc/08/30/83/1196083083.db2.gz MJPBEJOLPWSGFM-MSOLQXFVSA-N 2 0 379.549 0.661 20 0 GCADRP C[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)(N2CCOCC2)CC1 ZINC000895334288 1196083708 /nfs/dbraw/zinc/08/37/08/1196083708.db2.gz PHZVMEFSHOUMQA-UHFFFAOYSA-N 2 0 381.565 0.814 20 0 GCADRP CC(C)N(CCOCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000487437595 1196085796 /nfs/dbraw/zinc/08/57/96/1196085796.db2.gz YFXYTWWDBHGEHS-XWSJACJDSA-N 2 0 396.576 0.752 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550574894 1196091173 /nfs/dbraw/zinc/09/11/73/1196091173.db2.gz JMHHBWYXRLGDMA-BRWVUGGUSA-N 2 0 382.549 0.839 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C3C[NH+](C4CCOCC4)C3)cn2)CC1 ZINC000895741631 1196110512 /nfs/dbraw/zinc/11/05/12/1196110512.db2.gz LYEVIDSPGWLRBP-UHFFFAOYSA-N 2 0 387.528 0.951 20 0 GCADRP C[C@@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000840271582 1196110960 /nfs/dbraw/zinc/11/09/60/1196110960.db2.gz ZQSYGCHQZKEQKK-SFHVURJKSA-N 2 0 381.565 0.957 20 0 GCADRP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[NH+](C)[C@H]3C)nc(N3CCOCC3)n2)CC[N@@H+]1C ZINC000895737476 1196110987 /nfs/dbraw/zinc/11/09/87/1196110987.db2.gz WDOLNDKJBKZWRD-QKPAOTATSA-N 2 0 390.536 0.717 20 0 GCADRP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC000840298494 1196115407 /nfs/dbraw/zinc/11/54/07/1196115407.db2.gz KJTINTAEQIMDTK-RDJZCZTQSA-N 2 0 382.505 0.376 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC000840298497 1196115481 /nfs/dbraw/zinc/11/54/81/1196115481.db2.gz KJTINTAEQIMDTK-WBVHZDCISA-N 2 0 382.505 0.376 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896017266 1196123054 /nfs/dbraw/zinc/12/30/54/1196123054.db2.gz LKATXQWDVJZSHU-UHFFFAOYSA-N 3 0 387.528 0.821 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)C2)CC1 ZINC000896324864 1196142785 /nfs/dbraw/zinc/14/27/85/1196142785.db2.gz KPYTYNKUBCQORK-CGTJXYLNSA-N 2 0 381.517 0.972 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)C2)CC1 ZINC000896324867 1196142915 /nfs/dbraw/zinc/14/29/15/1196142915.db2.gz KPYTYNKUBCQORK-RYQLBKOJSA-N 2 0 381.517 0.972 20 0 GCADRP CC1(C)CC[N@H+](CCNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000896469761 1196149379 /nfs/dbraw/zinc/14/93/79/1196149379.db2.gz JTOBWDHLMSDCTA-SFHVURJKSA-N 2 0 381.565 0.814 20 0 GCADRP CC1(C)CC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000896469760 1196149591 /nfs/dbraw/zinc/14/95/91/1196149591.db2.gz JTOBWDHLMSDCTA-GOSISDBHSA-N 2 0 381.565 0.814 20 0 GCADRP C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000896468947 1196149773 /nfs/dbraw/zinc/14/97/73/1196149773.db2.gz UFOPRNJHETUFCN-GOSISDBHSA-N 2 0 379.549 0.663 20 0 GCADRP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896533264 1196153765 /nfs/dbraw/zinc/15/37/65/1196153765.db2.gz HASWWWDCXSWLFA-HRCADAONSA-N 2 0 385.553 0.582 20 0 GCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329726841 1196227319 /nfs/dbraw/zinc/22/73/19/1196227319.db2.gz OOTIOSAMGJDNST-KZNAEPCWSA-N 2 0 380.533 0.498 20 0 GCADRP C[NH+]1C[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)cn3)C[C@H]2C1 ZINC000330124416 1196254239 /nfs/dbraw/zinc/25/42/39/1196254239.db2.gz BDCRTNAARNXDME-USTZCAOPSA-N 2 0 383.496 0.349 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@H]21 ZINC000330122403 1196254518 /nfs/dbraw/zinc/25/45/18/1196254518.db2.gz KHXQXADFBFDAKW-GUDVDZBRSA-N 2 0 392.544 0.642 20 0 GCADRP C[NH+](C)[C@H]1CCN(C(=O)CC2(C(=O)N3CC[C@H]([NH+](C)C)C3)CCOCC2)C1 ZINC000330224470 1196260296 /nfs/dbraw/zinc/26/02/96/1196260296.db2.gz NSUFUVOEUYSKBT-IRXDYDNUSA-N 2 0 380.533 0.498 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)/C=C/C=C/C(=O)N(CCOC)CC[NH+](C)C ZINC000281071406 1196275435 /nfs/dbraw/zinc/27/54/35/1196275435.db2.gz ZVUWCNMYGGEGFQ-FIFLTTCUSA-N 2 0 398.548 0.172 20 0 GCADRP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC)[nH]n1 ZINC000665529949 1196304785 /nfs/dbraw/zinc/30/47/85/1196304785.db2.gz YPNLZZJUIBGYAL-HUUCEWRRSA-N 2 0 376.505 0.838 20 0 GCADRP CC[NH+]1CCC(NC(=O)c2cc(C(=O)NC3CC[NH+](CC)CC3)[nH]n2)CC1 ZINC000665531287 1196305343 /nfs/dbraw/zinc/30/53/43/1196305343.db2.gz WIDHZXWNIUYTKY-UHFFFAOYSA-N 2 0 376.505 0.838 20 0 GCADRP COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281721226 1196325335 /nfs/dbraw/zinc/32/53/35/1196325335.db2.gz UOGPOOGLKNNXCK-WBVHZDCISA-N 2 0 387.546 0.965 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1(C)C ZINC000281909782 1196345402 /nfs/dbraw/zinc/34/54/02/1196345402.db2.gz JDBGOWPURLULFQ-UHFFFAOYSA-N 2 0 385.472 0.348 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281934654 1196350007 /nfs/dbraw/zinc/35/00/07/1196350007.db2.gz KDTYUOGGFMYNNZ-UHFFFAOYSA-N 2 0 389.544 0.871 20 0 GCADRP C[NH2+]Cc1cc(-n2c3ncnc-3c(OCc3ccc(C[NH3+])cc3)nc2N)ncn1 ZINC001168051390 1196356830 /nfs/dbraw/zinc/35/68/30/1196356830.db2.gz PPFHKMXPHUGBKC-UHFFFAOYSA-N 2 0 391.439 0.775 20 0 GCADRP NC(=O)c1ccc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000475313279 1196403224 /nfs/dbraw/zinc/40/32/24/1196403224.db2.gz DNVOEJOXMMHPNU-UHFFFAOYSA-N 2 0 386.456 0.785 20 0 GCADRP COCCNc1nc(NC2CC[NH+](C)CC2)nc(NC2CC[NH+](C)CC2)n1 ZINC000301771401 1196434267 /nfs/dbraw/zinc/43/42/67/1196434267.db2.gz JJZLDCMUZPZUET-UHFFFAOYSA-N 3 0 378.525 0.942 20 0 GCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000301983339 1196437480 /nfs/dbraw/zinc/43/74/80/1196437480.db2.gz YKEIJYQABIDTKY-DOTOQJQBSA-N 2 0 388.516 0.604 20 0 GCADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000301983342 1196437741 /nfs/dbraw/zinc/43/77/41/1196437741.db2.gz YKEIJYQABIDTKY-RDJZCZTQSA-N 2 0 388.516 0.604 20 0 GCADRP O=S1(=O)NC[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN21 ZINC000897282093 1196438477 /nfs/dbraw/zinc/43/84/77/1196438477.db2.gz AYCOCNFXHVOJTA-KRWDZBQOSA-N 2 0 380.514 0.495 20 0 GCADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000475590950 1196477328 /nfs/dbraw/zinc/47/73/28/1196477328.db2.gz WTXQYWKSBOEWKR-UHFFFAOYSA-N 2 0 377.489 0.673 20 0 GCADRP Cn1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000444511598 1196501893 /nfs/dbraw/zinc/50/18/93/1196501893.db2.gz MGLOJFNRVFGIKY-UHFFFAOYSA-N 2 0 398.467 0.047 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444977854 1196534344 /nfs/dbraw/zinc/53/43/44/1196534344.db2.gz USVQNKQBRUQBDY-UHFFFAOYSA-N 2 0 381.565 0.550 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626765 1196537728 /nfs/dbraw/zinc/53/77/28/1196537728.db2.gz QJHUPPUKBZSREX-MSOLQXFVSA-N 2 0 397.564 0.585 20 0 GCADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000445550908 1196579310 /nfs/dbraw/zinc/57/93/10/1196579310.db2.gz QUZASAOJEBIFLD-KRWDZBQOSA-N 2 0 389.544 0.871 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000524925292 1196640519 /nfs/dbraw/zinc/64/05/19/1196640519.db2.gz UHXYNGXWDFAMLY-IBGZPJMESA-N 2 0 389.544 0.731 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512951 1196687280 /nfs/dbraw/zinc/68/72/80/1196687280.db2.gz RJQOGTVIIIGFRC-ICSRJNTNSA-N 2 0 375.517 0.168 20 0 GCADRP C[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCO1 ZINC001168089798 1196690225 /nfs/dbraw/zinc/69/02/25/1196690225.db2.gz ZYGJCSMSFGKZTC-ZWKOTPCHSA-N 2 0 378.510 0.185 20 0 GCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CCO1 ZINC001168089794 1196690453 /nfs/dbraw/zinc/69/04/53/1196690453.db2.gz ZYGJCSMSFGKZTC-MSOLQXFVSA-N 2 0 378.510 0.185 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1 ZINC000429714701 1196692720 /nfs/dbraw/zinc/69/27/20/1196692720.db2.gz HCGKZHPMNBBYSD-OKZBNKHCSA-N 2 0 396.557 0.856 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000525882401 1196720818 /nfs/dbraw/zinc/72/08/18/1196720818.db2.gz DLGKOHDRXKLKGH-KRWDZBQOSA-N 2 0 387.528 0.954 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000525882508 1196720924 /nfs/dbraw/zinc/72/09/24/1196720924.db2.gz AXNVXNHAGXQFHR-UHFFFAOYSA-N 2 0 393.463 0.601 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1CN1C(=O)CNC1=O ZINC000525884933 1196721182 /nfs/dbraw/zinc/72/11/82/1196721182.db2.gz BMZZJXKERJMHEQ-UHFFFAOYSA-N 2 0 390.488 0.696 20 0 GCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447602252 1196734222 /nfs/dbraw/zinc/73/42/22/1196734222.db2.gz TWHXBVUQTKMGEL-MRXNPFEDSA-N 2 0 385.530 0.936 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000526132157 1196744169 /nfs/dbraw/zinc/74/41/69/1196744169.db2.gz MLOCKEDLYSNJOE-UHFFFAOYSA-N 2 0 387.488 0.217 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000526131659 1196744237 /nfs/dbraw/zinc/74/42/37/1196744237.db2.gz QADQDIMMHWBKSK-GOSISDBHSA-N 2 0 392.500 0.745 20 0 GCADRP CNC(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000526131734 1196744338 /nfs/dbraw/zinc/74/43/38/1196744338.db2.gz XQCBLHNLTSHVRH-UHFFFAOYSA-N 2 0 377.489 0.245 20 0 GCADRP COC(=O)c1ccc(F)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527124298 1196767570 /nfs/dbraw/zinc/76/75/70/1196767570.db2.gz YVCKYFGKTVFJLO-UHFFFAOYSA-N 2 0 382.436 0.503 20 0 GCADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1NC(C)=O ZINC000527374275 1196784384 /nfs/dbraw/zinc/78/43/84/1196784384.db2.gz DLMVUWWBHFQCFK-UHFFFAOYSA-N 2 0 393.488 0.544 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C(=O)N(C)C ZINC000527373772 1196784795 /nfs/dbraw/zinc/78/47/95/1196784795.db2.gz UNQRPHDHOVEPPH-UHFFFAOYSA-N 2 0 391.516 0.587 20 0 GCADRP C[NH+]1CCN(Cc2cc(Cl)cc(CN3CC[N@@H+](C)C[C@@H]3CO)c2)[C@@H](CO)C1 ZINC000639867163 1196857348 /nfs/dbraw/zinc/85/73/48/1196857348.db2.gz KQVWCPGLCCOMGH-WOJBJXKFSA-N 2 0 396.963 0.557 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[NH+](C4CCOCC4)CC3)C2)CC1 ZINC000370057597 1196873628 /nfs/dbraw/zinc/87/36/28/1196873628.db2.gz YKJOGRFCEMNVJV-KRWDZBQOSA-N 2 0 379.549 0.661 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528717781 1196881192 /nfs/dbraw/zinc/88/11/92/1196881192.db2.gz FCKRGCULGKMARX-KRWDZBQOSA-N 2 0 387.484 0.939 20 0 GCADRP C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000529304276 1196915319 /nfs/dbraw/zinc/91/53/19/1196915319.db2.gz PIRZVJCPVVGBPR-GDBMZVCRSA-N 2 0 379.480 0.926 20 0 GCADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000529328796 1196915781 /nfs/dbraw/zinc/91/57/81/1196915781.db2.gz HBNXWNVETIKLOC-LJQANCHMSA-N 2 0 387.528 0.970 20 0 GCADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000529382213 1196918996 /nfs/dbraw/zinc/91/89/96/1196918996.db2.gz CKVUWLCAUXANIZ-WOJBJXKFSA-N 2 0 387.528 0.577 20 0 GCADRP CN(Cc1cc(C[N@H+](C)[C@@]2(CO)CCOC2)ccc1F)[C@]1(CO)CCOC1 ZINC000450706873 1196949341 /nfs/dbraw/zinc/94/93/41/1196949341.db2.gz GSBMGGNHCOPOPG-UXHICEINSA-N 2 0 382.476 0.992 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000530576822 1196996089 /nfs/dbraw/zinc/99/60/89/1196996089.db2.gz PUKOHESHLZZMNY-UNMCSNQZSA-N 2 0 386.540 0.862 20 0 GCADRP CCNS(=O)(=O)c1ccc(C)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000530641457 1197002677 /nfs/dbraw/zinc/00/26/77/1197002677.db2.gz DJOSPHXYTQUGBY-UHFFFAOYSA-N 2 0 384.546 0.859 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530814796 1197018432 /nfs/dbraw/zinc/01/84/32/1197018432.db2.gz HHYREYUIFHBERD-WIYYLYMNSA-N 2 0 388.512 0.327 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530814793 1197018715 /nfs/dbraw/zinc/01/87/15/1197018715.db2.gz HHYREYUIFHBERD-GHTZIAJQSA-N 2 0 388.512 0.327 20 0 GCADRP COC(=O)C[C@H](C)N1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530835462 1197020254 /nfs/dbraw/zinc/02/02/54/1197020254.db2.gz VKPDRMDWDVAHIJ-LAUBAEHRSA-N 2 0 389.496 0.719 20 0 GCADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451990147 1197029923 /nfs/dbraw/zinc/02/99/23/1197029923.db2.gz RBCZANTVXGRKKS-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP CC1[C@@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000452127798 1197040669 /nfs/dbraw/zinc/04/06/69/1197040669.db2.gz SYTSVGCAARGDGH-UBBRYJJRSA-N 2 0 388.556 0.977 20 0 GCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000452132060 1197041712 /nfs/dbraw/zinc/04/17/12/1197041712.db2.gz LCOONZAPNSWZGP-LJQANCHMSA-N 2 0 382.549 0.888 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000531759065 1197095282 /nfs/dbraw/zinc/09/52/82/1197095282.db2.gz DWVWILKWQNLGAM-RBUKOAKNSA-N 2 0 381.565 0.691 20 0 GCADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc(OC)c1OCC(N)=O ZINC000532120706 1197115277 /nfs/dbraw/zinc/11/52/77/1197115277.db2.gz ZNWHYHLQEFFKLI-UHFFFAOYSA-N 2 0 395.500 0.893 20 0 GCADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCN(C)CC1 ZINC000532281217 1197138194 /nfs/dbraw/zinc/13/81/94/1197138194.db2.gz ITLICIGQDIYPKD-SLFFLAALSA-N 2 0 395.592 0.935 20 0 GCADRP C(C[NH+]1CCC[C@@H]1CN1CCOCC1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173690046 1197178481 /nfs/dbraw/zinc/17/84/81/1197178481.db2.gz SNNNOZHJPTWLLU-NHCUHLMSSA-N 2 0 380.577 0.970 20 0 GCADRP O=C1NC[C@@H]2CN(Cc3ccc(CN4CCN5C(=O)NC[C@H]5C4)cc3)CCN12 ZINC000175883927 1197184785 /nfs/dbraw/zinc/18/47/85/1197184785.db2.gz PTJHOVAKPTXJEG-HDICACEKSA-N 2 0 384.484 0.105 20 0 GCADRP C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418349115 1197192641 /nfs/dbraw/zinc/19/26/41/1197192641.db2.gz RTGQIFJWYMTNPL-NEWSRXKRSA-N 2 0 389.544 0.963 20 0 GCADRP Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178981058 1197196216 /nfs/dbraw/zinc/19/62/16/1197196216.db2.gz VHFQTVNYYINMPB-UHFFFAOYSA-N 2 0 380.558 0.891 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188832825 1197234439 /nfs/dbraw/zinc/23/44/39/1197234439.db2.gz WFSNBILKNAIVKC-SJORKVTESA-N 2 0 382.549 0.974 20 0 GCADRP O=C1[C@@H]2CSCCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000349365870 1197258249 /nfs/dbraw/zinc/25/82/49/1197258249.db2.gz JGFSVIQXUKATGC-INIZCTEOSA-N 2 0 375.498 0.973 20 0 GCADRP O=C1[C@H]2CSCCN2C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000349365881 1197258444 /nfs/dbraw/zinc/25/84/44/1197258444.db2.gz JGFSVIQXUKATGC-MRXNPFEDSA-N 2 0 375.498 0.973 20 0 GCADRP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000988274445 1197301214 /nfs/dbraw/zinc/30/12/14/1197301214.db2.gz FDTFYLQJKRAENY-AHCXZYCDSA-N 2 0 390.532 0.504 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCN2CCc3sccc3C2)C1 ZINC000104791454 1197308519 /nfs/dbraw/zinc/30/85/19/1197308519.db2.gz NHWRZODMNXSVCQ-INIZCTEOSA-N 2 0 393.557 0.993 20 0 GCADRP O=C(COCC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000105599927 1197326458 /nfs/dbraw/zinc/32/64/58/1197326458.db2.gz XQVJHUUCXKOIBF-HDICACEKSA-N 2 0 378.517 0.396 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000332970578 1197348656 /nfs/dbraw/zinc/34/86/56/1197348656.db2.gz AYWAXBMFEZDCDG-ZWKOTPCHSA-N 2 0 395.548 0.291 20 0 GCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CCn1cncn1 ZINC001088574104 1197357663 /nfs/dbraw/zinc/35/76/63/1197357663.db2.gz CLEZDYZDLMNSCP-YSHGAJCASA-N 2 0 390.532 0.604 20 0 GCADRP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000666670389 1197362832 /nfs/dbraw/zinc/36/28/32/1197362832.db2.gz QYBSEVWMSHRLQN-KRWDZBQOSA-N 2 0 386.496 0.984 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCN1c1cc[nH+]cc1 ZINC000897474836 1197365255 /nfs/dbraw/zinc/36/52/55/1197365255.db2.gz CMJVLLCOWAUFEM-KXBFYZLASA-N 2 0 391.541 0.672 20 0 GCADRP C(C[NH+]1CC[C@H](CN2CCOCC2)C1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129179741 1197365444 /nfs/dbraw/zinc/36/54/44/1197365444.db2.gz QETJNDZFZGWLQV-SFTDATJTSA-N 2 0 380.577 0.685 20 0 GCADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000418847128 1197374277 /nfs/dbraw/zinc/37/42/77/1197374277.db2.gz UTYIKNZAGXZXHS-MRXNPFEDSA-N 2 0 395.548 0.212 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000132708393 1197381195 /nfs/dbraw/zinc/38/11/95/1197381195.db2.gz VQJQJKVVUPOSRC-HNNXBMFYSA-N 2 0 377.493 0.215 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000418869771 1197386034 /nfs/dbraw/zinc/38/60/34/1197386034.db2.gz XJHDCRHIMMHYBT-SFHVURJKSA-N 2 0 376.501 0.872 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418869749 1197386052 /nfs/dbraw/zinc/38/60/52/1197386052.db2.gz XHCKQYUAGRHPNA-PKOBYXMFSA-N 2 0 387.528 0.116 20 0 GCADRP O=C(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478790 1197391388 /nfs/dbraw/zinc/39/13/88/1197391388.db2.gz GHGAFMHCJMPJEY-QZTJIDSGSA-N 2 0 385.512 0.968 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001746135440 1197400734 /nfs/dbraw/zinc/40/07/34/1197400734.db2.gz UCIJPGRLWFLNMH-UHFFFAOYSA-N 2 0 389.548 0.839 20 0 GCADRP O=C(CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)N1CCN(c2ccccn2)CC1 ZINC000238032640 1197401851 /nfs/dbraw/zinc/40/18/51/1197401851.db2.gz VBYFCMUXOLDAFJ-IBGZPJMESA-N 2 0 393.491 0.951 20 0 GCADRP COC[C@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897499532 1197413367 /nfs/dbraw/zinc/41/33/67/1197413367.db2.gz IULKDRSJKDDPHJ-ARFHVFGLSA-N 2 0 382.549 0.979 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1=O ZINC000245598862 1197414307 /nfs/dbraw/zinc/41/43/07/1197414307.db2.gz UCRMRJFBHXBPTN-CEXWTWQISA-N 2 0 388.512 0.148 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCC[NH2+]CC3)CC2)c1 ZINC000419517090 1197421194 /nfs/dbraw/zinc/42/11/94/1197421194.db2.gz WJGNDBPHLAWWBV-UHFFFAOYSA-N 2 0 387.528 0.445 20 0 GCADRP Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000533220575 1197439473 /nfs/dbraw/zinc/43/94/73/1197439473.db2.gz SLHWLCGDLBNOAW-INIZCTEOSA-N 2 0 384.546 0.614 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000246351634 1197465402 /nfs/dbraw/zinc/46/54/02/1197465402.db2.gz DCVWCLIINIHSDQ-JKSUJKDBSA-N 2 0 376.505 0.716 20 0 GCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)COCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000105600315 1197470963 /nfs/dbraw/zinc/47/09/63/1197470963.db2.gz TWZWWYGUPZVZSB-QZTJIDSGSA-N 2 0 382.549 0.888 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000246571826 1197472908 /nfs/dbraw/zinc/47/29/08/1197472908.db2.gz AAARSLLYRXPXBE-DLBZAZTESA-N 2 0 380.533 0.282 20 0 GCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261758427 1197513538 /nfs/dbraw/zinc/51/35/38/1197513538.db2.gz FUMRJTYVAJNQHU-FUHWJXTLSA-N 3 0 379.549 0.167 20 0 GCADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261755920 1197513572 /nfs/dbraw/zinc/51/35/72/1197513572.db2.gz FPUCLEMEQGWPKY-KFWWJZLASA-N 2 0 381.521 0.579 20 0 GCADRP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261789481 1197514855 /nfs/dbraw/zinc/51/48/55/1197514855.db2.gz HYTLMQZWKMEWNN-MJGOQNOKSA-N 2 0 388.512 0.892 20 0 GCADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262007197 1197522151 /nfs/dbraw/zinc/52/21/51/1197522151.db2.gz GZDVNQUMFWPFCF-INIZCTEOSA-N 2 0 382.530 0.756 20 0 GCADRP O=C(CCN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000262182097 1197526916 /nfs/dbraw/zinc/52/69/16/1197526916.db2.gz RBHQNHSSAYVXFK-UHFFFAOYSA-N 2 0 394.903 0.685 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCO1 ZINC000643486946 1197527694 /nfs/dbraw/zinc/52/76/94/1197527694.db2.gz IKKHYOUHGQYSMD-WMZOPIPTSA-N 2 0 380.533 0.676 20 0 GCADRP CCC(CC)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000428615237 1197554956 /nfs/dbraw/zinc/55/49/56/1197554956.db2.gz XZJGNKDSLMFLFA-OALUTQOASA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000672008688 1199000230 /nfs/dbraw/zinc/00/02/30/1199000230.db2.gz BXLHMLNCUMNRET-MRXNPFEDSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000672007785 1199002633 /nfs/dbraw/zinc/00/26/33/1199002633.db2.gz DUELAZIDDDQJHV-SNRMKQJTSA-N 2 0 394.560 0.717 20 0 GCADRP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010165 1199002757 /nfs/dbraw/zinc/00/27/57/1199002757.db2.gz UITUJQSKQAFGSL-VQIMIIECSA-N 2 0 393.576 0.460 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)c1 ZINC000672015490 1199005392 /nfs/dbraw/zinc/00/53/92/1199005392.db2.gz XCLXAIKZHDIGNT-OAHLLOKOSA-N 2 0 389.500 0.585 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000655956410 1199011877 /nfs/dbraw/zinc/01/18/77/1199011877.db2.gz YYLHQJWHXMBLRB-UHFFFAOYSA-N 2 0 389.504 0.158 20 0 GCADRP CC[C@@H](CN1CCOCC1)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000921704338 1199050720 /nfs/dbraw/zinc/05/07/20/1199050720.db2.gz DCYBPXJLWBHDSK-KRWDZBQOSA-N 2 0 379.505 0.932 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000465825909 1199077984 /nfs/dbraw/zinc/07/79/84/1199077984.db2.gz JRAILTHRYSKODP-GOSISDBHSA-N 2 0 394.608 0.728 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000672166075 1199150230 /nfs/dbraw/zinc/15/02/30/1199150230.db2.gz JXTQAKFZBDAJNN-GOSISDBHSA-N 2 0 380.533 0.690 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206934 1199160655 /nfs/dbraw/zinc/16/06/55/1199160655.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 2 0 379.549 0.212 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000656333045 1199176662 /nfs/dbraw/zinc/17/66/62/1199176662.db2.gz YLWJRGITGVEPDX-QGZVFWFLSA-N 2 0 394.560 0.936 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000265782885 1199186698 /nfs/dbraw/zinc/18/66/98/1199186698.db2.gz GYXPRGRXBHQCHV-UHFFFAOYSA-N 2 0 390.576 0.936 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000672305716 1199197691 /nfs/dbraw/zinc/19/76/91/1199197691.db2.gz APXLLSMANHWFOS-GUDVDZBRSA-N 2 0 392.544 0.471 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672305676 1199198117 /nfs/dbraw/zinc/19/81/17/1199198117.db2.gz YRNULPWUDUQHHF-IBGZPJMESA-N 2 0 391.560 0.073 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672305371 1199198207 /nfs/dbraw/zinc/19/82/07/1199198207.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 2 0 391.560 0.214 20 0 GCADRP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1CCOC ZINC000672304134 1199198426 /nfs/dbraw/zinc/19/84/26/1199198426.db2.gz IRNIIYXTCSGAJJ-ZWKOTPCHSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000672306660 1199200284 /nfs/dbraw/zinc/20/02/84/1199200284.db2.gz SHECPUYYLLRTNU-NZSAHSFTSA-N 2 0 391.560 0.071 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000672311217 1199201273 /nfs/dbraw/zinc/20/12/73/1199201273.db2.gz BALXTPFAOIKMOU-QRQLOZEOSA-N 2 0 394.560 0.840 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672313454 1199204817 /nfs/dbraw/zinc/20/48/17/1199204817.db2.gz JRVSIBKEZGLINR-GOSISDBHSA-N 2 0 392.544 0.834 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@@H]2C1 ZINC000672313430 1199204855 /nfs/dbraw/zinc/20/48/55/1199204855.db2.gz BLBUMUIGBODMKI-IAGOWNOFSA-N 2 0 378.517 0.300 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000672313163 1199205926 /nfs/dbraw/zinc/20/59/26/1199205926.db2.gz YAJUFPDATGIXCM-UHFFFAOYSA-N 2 0 392.544 0.834 20 0 GCADRP CN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672329682 1199209761 /nfs/dbraw/zinc/20/97/61/1199209761.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 2 0 393.576 0.604 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952939 1199218556 /nfs/dbraw/zinc/21/85/56/1199218556.db2.gz SGFWBGSUMHFOJT-ROUUACIJSA-N 2 0 396.580 0.147 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C)nc2N2CCCC2)C1 ZINC000672358614 1199218932 /nfs/dbraw/zinc/21/89/32/1199218932.db2.gz IVXZHPZWAFRJMU-KRWDZBQOSA-N 2 0 389.500 0.443 20 0 GCADRP CO[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001212451459 1199227211 /nfs/dbraw/zinc/22/72/11/1199227211.db2.gz XODGSFZBILWLBW-VBSBHUPXSA-N 2 0 391.512 0.990 20 0 GCADRP COCCN1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000282323127 1199271566 /nfs/dbraw/zinc/27/15/66/1199271566.db2.gz FFSVUJSMWZQBDJ-UHFFFAOYSA-N 2 0 390.488 0.051 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672596848 1199277649 /nfs/dbraw/zinc/27/76/49/1199277649.db2.gz SDNWUBWKSDRCGQ-OALUTQOASA-N 2 0 387.528 0.081 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637333 1199289431 /nfs/dbraw/zinc/28/94/31/1199289431.db2.gz FAHJCBXESLGMID-KRWDZBQOSA-N 2 0 391.560 0.358 20 0 GCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672637962 1199291323 /nfs/dbraw/zinc/29/13/23/1199291323.db2.gz BCLVISYFYOSOGC-KRWDZBQOSA-N 2 0 379.549 0.071 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638229 1199291537 /nfs/dbraw/zinc/29/15/37/1199291537.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 2 0 393.576 0.652 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638642 1199291986 /nfs/dbraw/zinc/29/19/86/1199291986.db2.gz GEEFLIURIGZHEI-QZTJIDSGSA-N 2 0 393.576 0.509 20 0 GCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672637963 1199292060 /nfs/dbraw/zinc/29/20/60/1199292060.db2.gz BCLVISYFYOSOGC-QGZVFWFLSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640418 1199293378 /nfs/dbraw/zinc/29/33/78/1199293378.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 2 0 377.533 0.038 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672638938 1199294211 /nfs/dbraw/zinc/29/42/11/1199294211.db2.gz WIYZCLTZQMUMJE-SFHVURJKSA-N 2 0 393.576 0.461 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672639405 1199294593 /nfs/dbraw/zinc/29/45/93/1199294593.db2.gz BZTOXRNUJCDBCZ-IRXDYDNUSA-N 2 0 379.549 0.262 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640242 1199296143 /nfs/dbraw/zinc/29/61/43/1199296143.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296697 /nfs/dbraw/zinc/29/66/97/1199296697.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 2 0 391.560 0.214 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640977 1199297954 /nfs/dbraw/zinc/29/79/54/1199297954.db2.gz HXJLNVHYIGFGFA-SJLPKXTDSA-N 2 0 395.592 0.754 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641027 1199298547 /nfs/dbraw/zinc/29/85/47/1199298547.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 2 0 391.560 0.214 20 0 GCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642503 1199300248 /nfs/dbraw/zinc/30/02/48/1199300248.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 2 0 379.549 0.070 20 0 GCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642502 1199301670 /nfs/dbraw/zinc/30/16/70/1199301670.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 2 0 379.549 0.070 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642951 1199303410 /nfs/dbraw/zinc/30/34/10/1199303410.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 2 0 393.576 0.508 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641889 1199304277 /nfs/dbraw/zinc/30/42/77/1199304277.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 2 0 391.560 0.404 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643052 1199305217 /nfs/dbraw/zinc/30/52/17/1199305217.db2.gz NNLLWSQBRZWBBZ-MJGOQNOKSA-N 2 0 391.560 0.358 20 0 GCADRP CC(C)[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCN(C)CC1 ZINC000077550008 1199313886 /nfs/dbraw/zinc/31/38/86/1199313886.db2.gz LFBBLTRXKDMAIZ-IBGZPJMESA-N 2 0 382.597 0.585 20 0 GCADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000077549860 1199313979 /nfs/dbraw/zinc/31/39/79/1199313979.db2.gz WKIYEXMLSHHESO-UHFFFAOYSA-N 2 0 381.565 0.766 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672695613 1199315119 /nfs/dbraw/zinc/31/51/19/1199315119.db2.gz NGVFRSDJJJARHY-QZTJIDSGSA-N 2 0 379.549 0.215 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672697497 1199319016 /nfs/dbraw/zinc/31/90/16/1199319016.db2.gz WYHIRUMGNUPQTN-GOSISDBHSA-N 2 0 380.533 0.548 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000077622148 1199319829 /nfs/dbraw/zinc/31/98/29/1199319829.db2.gz DSIAZCJDDJGZLY-PKOBYXMFSA-N 2 0 382.549 0.879 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000077644200 1199320333 /nfs/dbraw/zinc/32/03/33/1199320333.db2.gz OAJBLXHAMFYNOP-UHFFFAOYSA-N 2 0 381.565 0.768 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)(C)C ZINC000672722646 1199321711 /nfs/dbraw/zinc/32/17/11/1199321711.db2.gz IUTLWQXFLCCEDY-QZTJIDSGSA-N 2 0 395.592 0.707 20 0 GCADRP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466001447 1199335666 /nfs/dbraw/zinc/33/56/66/1199335666.db2.gz XDXCMHICZPWJDI-ROUUACIJSA-N 2 0 381.565 0.670 20 0 GCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@@H+]1CCO ZINC000672957622 1199377233 /nfs/dbraw/zinc/37/72/33/1199377233.db2.gz QYECJUSISKMKJC-ZWKOTPCHSA-N 2 0 382.549 0.852 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000673224377 1199488155 /nfs/dbraw/zinc/48/81/55/1199488155.db2.gz KUIOLHBKOVWEEO-SJORKVTESA-N 2 0 381.565 0.317 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000466138134 1199490288 /nfs/dbraw/zinc/49/02/88/1199490288.db2.gz HEOYJEQRYPYVPJ-RBUKOAKNSA-N 2 0 383.581 0.652 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2)CC1 ZINC000466144660 1199494599 /nfs/dbraw/zinc/49/45/99/1199494599.db2.gz YOMISVRECLKTBN-RBUKOAKNSA-N 2 0 380.581 0.291 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)CC2)C1 ZINC000673275240 1199512084 /nfs/dbraw/zinc/51/20/84/1199512084.db2.gz OXDQOAWDIXBZSH-SFHVURJKSA-N 2 0 393.576 0.463 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000673351256 1199565959 /nfs/dbraw/zinc/56/59/59/1199565959.db2.gz ADZCSACRRJIJII-SFHVURJKSA-N 2 0 390.528 0.804 20 0 GCADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000080163560 1199580617 /nfs/dbraw/zinc/58/06/17/1199580617.db2.gz HWENTVQABDQMOF-SFHVURJKSA-N 2 0 376.501 0.692 20 0 GCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000922342819 1199735663 /nfs/dbraw/zinc/73/56/63/1199735663.db2.gz IQCVJPHNUDKDDA-FQEVSTJZSA-N 2 0 395.592 0.315 20 0 GCADRP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000118122966 1199744856 /nfs/dbraw/zinc/74/48/56/1199744856.db2.gz OLWZJPWCPDDJRN-UHFFFAOYSA-N 2 0 391.472 0.551 20 0 GCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550177 1199781906 /nfs/dbraw/zinc/78/19/06/1199781906.db2.gz PTQSRXOEEOBVCC-PKOBYXMFSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000673586576 1199833261 /nfs/dbraw/zinc/83/32/61/1199833261.db2.gz NNTORNLXNIENLB-CEXWTWQISA-N 2 0 394.560 0.860 20 0 GCADRP CC(C)(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000282366672 1199847051 /nfs/dbraw/zinc/84/70/51/1199847051.db2.gz AXOUQYWTRXLUOB-UHFFFAOYSA-N 2 0 375.517 0.821 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625022739 1199892255 /nfs/dbraw/zinc/89/22/55/1199892255.db2.gz BCARWOAWJHPJNR-DLBZAZTESA-N 2 0 390.532 0.648 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625136327 1199909966 /nfs/dbraw/zinc/90/99/66/1199909966.db2.gz HNJIIHGHUAICMA-UHFFFAOYSA-N 2 0 392.529 0.914 20 0 GCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673706986 1199930913 /nfs/dbraw/zinc/93/09/13/1199930913.db2.gz MHOBTCADXTYOBL-UXHICEINSA-N 2 0 393.576 0.766 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000673873079 1199964222 /nfs/dbraw/zinc/96/42/22/1199964222.db2.gz VAELLYWUTQKIDM-UHFFFAOYSA-N 2 0 390.532 0.996 20 0 GCADRP Cc1ccc(C(C)(C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1 ZINC000625465524 1199965467 /nfs/dbraw/zinc/96/54/67/1199965467.db2.gz HGMFBZIZYKLKGE-UHFFFAOYSA-N 2 0 377.533 0.736 20 0 GCADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000674327117 1200221202 /nfs/dbraw/zinc/22/12/02/1200221202.db2.gz LBXCQSKIZYUVHZ-UHFFFAOYSA-N 2 0 381.565 0.955 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CCCCC3)[C@H]2C1 ZINC000670526891 1200404318 /nfs/dbraw/zinc/40/43/18/1200404318.db2.gz FGXJZHOEUCDFJT-MSOLQXFVSA-N 2 0 392.544 0.690 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675817657 1200461091 /nfs/dbraw/zinc/46/10/91/1200461091.db2.gz WLDBXGYPDBVENI-ROUUACIJSA-N 2 0 390.594 0.290 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCC=CO1 ZINC000804084360 1200491524 /nfs/dbraw/zinc/49/15/24/1200491524.db2.gz UBQLJVHBXMINGE-SFHVURJKSA-N 2 0 387.484 0.519 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373250200 1200660308 /nfs/dbraw/zinc/66/03/08/1200660308.db2.gz OCWFFECNJKLDDQ-MRXNPFEDSA-N 2 0 390.532 1.421 20 0 GCADRP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC)O1 ZINC000187498824 1200715286 /nfs/dbraw/zinc/71/52/86/1200715286.db2.gz QGMXXCAUCLINSM-XLAORIBOSA-N 2 0 380.533 0.735 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000477024202 1200776815 /nfs/dbraw/zinc/77/68/15/1200776815.db2.gz AKGMSWLDYRCHJG-MRXNPFEDSA-N 2 0 381.565 0.508 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C2CC2)O1)[N@H+](C)C1CC1 ZINC000189067875 1200853348 /nfs/dbraw/zinc/85/33/48/1200853348.db2.gz KLEDDGPXOFRLMM-MHGIMSBQSA-N 2 0 380.533 0.732 20 0 GCADRP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[C@H]1C(C)C ZINC000429373422 1200914844 /nfs/dbraw/zinc/91/48/44/1200914844.db2.gz RPHYMZITQUPSJW-LNLFQRSKSA-N 2 0 383.533 0.979 20 0 GCADRP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923283312 1200924715 /nfs/dbraw/zinc/92/47/15/1200924715.db2.gz UVCFPMIPBDNREX-MSOLQXFVSA-N 2 0 391.512 0.969 20 0 GCADRP COCCN(C)C[C@H](O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000923396550 1200988908 /nfs/dbraw/zinc/98/89/08/1200988908.db2.gz DXSLCFDBVOJPLJ-SFHVURJKSA-N 2 0 379.549 0.995 20 0 GCADRP NC(=O)C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000544460692 1201049853 /nfs/dbraw/zinc/04/98/53/1201049853.db2.gz UTRGPRTVVOILKW-LJQANCHMSA-N 2 0 388.512 0.591 20 0 GCADRP O=S(=O)(c1ccc(OCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1)N1CCOCC1 ZINC000923520280 1201062362 /nfs/dbraw/zinc/06/23/62/1201062362.db2.gz QUNYRTIXIHJWSF-DLBZAZTESA-N 2 0 395.525 0.628 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNS(=O)(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000923588264 1201168402 /nfs/dbraw/zinc/16/84/02/1201168402.db2.gz IPVPGUQIINFNLI-IYBDPMFKSA-N 2 0 382.530 0.535 20 0 GCADRP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243114 1201251473 /nfs/dbraw/zinc/25/14/73/1201251473.db2.gz MKFINCNEWYIZFZ-WCXIOVBPSA-N 2 0 378.517 0.012 20 0 GCADRP C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717298 1201253939 /nfs/dbraw/zinc/25/39/39/1201253939.db2.gz APPFSAUWGJUYSF-MYZZLAAOSA-N 2 0 380.533 0.258 20 0 GCADRP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082517935 1201336116 /nfs/dbraw/zinc/33/61/16/1201336116.db2.gz PROADQDNDVFTFG-UIXUWTQFSA-N 2 0 392.544 0.402 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083087671 1201385689 /nfs/dbraw/zinc/38/56/89/1201385689.db2.gz XPEMONLNVRINQM-ZSYWTGECSA-N 2 0 388.512 0.527 20 0 GCADRP C[C@@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000175797394 1201483025 /nfs/dbraw/zinc/48/30/25/1201483025.db2.gz OYWADTMACXYZOB-SFHVURJKSA-N 2 0 381.565 0.624 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CCC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084944771 1201503073 /nfs/dbraw/zinc/50/30/73/1201503073.db2.gz MDWZSQLLWSRKRA-XDNAFOTISA-N 2 0 390.528 0.789 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CCC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084943781 1201503178 /nfs/dbraw/zinc/50/31/78/1201503178.db2.gz ZTLCJDLYDDKWCM-VQHPVUNQSA-N 2 0 376.501 0.398 20 0 GCADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084942475 1201503892 /nfs/dbraw/zinc/50/38/92/1201503892.db2.gz YGSGOFCBJXLJQE-LBKNJMOBSA-N 2 0 392.544 0.402 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=S)NNC1=[NH+]CC2=CNN(C(C)(C)C)C2=N1 ZINC000731947925 1201510555 /nfs/dbraw/zinc/51/05/55/1201510555.db2.gz OXGCRLRCMPOBAX-UHFFFAOYSA-N 2 0 380.566 0.814 20 0 GCADRP C[NH+](C)CC1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000732569267 1201548810 /nfs/dbraw/zinc/54/88/10/1201548810.db2.gz HNRDDXAKNNDMJO-UHFFFAOYSA-N 2 0 379.505 0.936 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000735592360 1201694413 /nfs/dbraw/zinc/69/44/13/1201694413.db2.gz DRKDLSCVCPMQQJ-WMZOPIPTSA-N 2 0 390.484 0.545 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741500232 1201780273 /nfs/dbraw/zinc/78/02/73/1201780273.db2.gz GNRIWTAIBWIGJS-OAHLLOKOSA-N 2 0 381.550 0.332 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000743947052 1201830695 /nfs/dbraw/zinc/83/06/95/1201830695.db2.gz NBGFCCIKLBHHLW-KRWDZBQOSA-N 2 0 398.467 0.965 20 0 GCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000743978689 1201831815 /nfs/dbraw/zinc/83/18/15/1201831815.db2.gz NBWBJXNYWYVYHJ-KRWDZBQOSA-N 2 0 387.528 0.973 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000745824675 1201891646 /nfs/dbraw/zinc/89/16/46/1201891646.db2.gz KWZHNQBBKOZOAK-MJGOQNOKSA-N 2 0 381.565 0.813 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCC[NH+](C)C ZINC001169160350 1201933530 /nfs/dbraw/zinc/93/35/30/1201933530.db2.gz CXSNADBQDFNYMF-HNNXBMFYSA-N 2 0 378.521 0.924 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001169205593 1201940220 /nfs/dbraw/zinc/94/02/20/1201940220.db2.gz FYCSBJPZJCJCTA-OAGGEKHMSA-N 2 0 388.516 0.486 20 0 GCADRP CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CC[C@H](CO)C2)nc1-n1nncc1C[NH3+] ZINC001169309058 1201942140 /nfs/dbraw/zinc/94/21/40/1201942140.db2.gz XRDPAAVKNQUTCP-ZDUSSCGKSA-N 2 0 387.488 0.920 20 0 GCADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])CO1 ZINC001169318887 1201942194 /nfs/dbraw/zinc/94/21/94/1201942194.db2.gz FVVJXTJSTXGAEM-IAGOWNOFSA-N 2 0 376.494 0.475 20 0 GCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001169445989 1201948086 /nfs/dbraw/zinc/94/80/86/1201948086.db2.gz CYWIMGHNPCZHJM-KRWDZBQOSA-N 2 0 377.526 0.248 20 0 GCADRP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001169472397 1201949856 /nfs/dbraw/zinc/94/98/56/1201949856.db2.gz PVVKPRBXWCQYGN-GOSISDBHSA-N 2 0 395.592 0.804 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]2C1 ZINC001169945598 1201960109 /nfs/dbraw/zinc/96/01/09/1201960109.db2.gz KWXUEAVFYDVIKW-FGTMMUONSA-N 2 0 381.517 0.783 20 0 GCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)CC1 ZINC001109301878 1202017835 /nfs/dbraw/zinc/01/78/35/1202017835.db2.gz OIZAYVXUINBBEM-SLHNCBLASA-N 2 0 395.544 0.464 20 0 GCADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)CCC1 ZINC001109400675 1202038555 /nfs/dbraw/zinc/03/85/55/1202038555.db2.gz QCTIGPYTOHCTKT-ILXRZTDVSA-N 2 0 377.489 0.134 20 0 GCADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)CN2CCCC2=O)CCC1 ZINC001109403792 1202039169 /nfs/dbraw/zinc/03/91/69/1202039169.db2.gz ZBJFNOFATJSZQU-NCOADZHNSA-N 2 0 378.517 0.176 20 0 GCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109653874 1202098813 /nfs/dbraw/zinc/09/88/13/1202098813.db2.gz KNQZCVMYQJQGRU-KBXIAJHMSA-N 2 0 381.439 0.990 20 0 GCADRP COC(=O)C[C@@]1([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CCCOC1 ZINC000770698255 1202108971 /nfs/dbraw/zinc/10/89/71/1202108971.db2.gz DRVAMEJKNYEHRQ-FQEVSTJZSA-N 2 0 390.484 0.822 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001109849103 1202134923 /nfs/dbraw/zinc/13/49/23/1202134923.db2.gz CNFBDHFFFCXTOL-SQNIBIBYSA-N 2 0 378.517 0.443 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1 ZINC001109847784 1202134932 /nfs/dbraw/zinc/13/49/32/1202134932.db2.gz HFLCFDSKLZEXFC-YRXWBPOGSA-N 2 0 381.517 0.626 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CC(F)(F)F ZINC001109847721 1202134949 /nfs/dbraw/zinc/13/49/49/1202134949.db2.gz DLLTVCZIPBTQBB-QPSCCSFWSA-N 2 0 379.423 0.744 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109847903 1202135189 /nfs/dbraw/zinc/13/51/89/1202135189.db2.gz MYQVHOUYBOMLBB-MHORFTMASA-N 2 0 378.517 0.347 20 0 GCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879875 1202140623 /nfs/dbraw/zinc/14/06/23/1202140623.db2.gz OVOGSKSXDIKOHB-QYZOEREBSA-N 2 0 380.533 0.593 20 0 GCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)NC(C)(C)C1=O ZINC001109928249 1202151676 /nfs/dbraw/zinc/15/16/76/1202151676.db2.gz NRIWEGMGCGVMIQ-ILXRZTDVSA-N 2 0 379.505 0.380 20 0 GCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787910566 1205406963 /nfs/dbraw/zinc/40/69/63/1205406963.db2.gz ONZYQTSVHOUDJC-KZNAEPCWSA-N 2 0 380.533 0.594 20 0 GCADRP Cn1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ncc1=O ZINC001170391686 1205491297 /nfs/dbraw/zinc/49/12/97/1205491297.db2.gz DQTJBWJTCQFRIH-LGEZUQEUSA-N 2 0 397.520 0.054 20 0 GCADRP CNc1ccnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170387933 1205491384 /nfs/dbraw/zinc/49/13/84/1205491384.db2.gz ILHVLPCROZZTKQ-SLUQVRSJSA-N 2 0 396.536 0.792 20 0 GCADRP Cn1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ccc1=O ZINC001170397348 1205491528 /nfs/dbraw/zinc/49/15/28/1205491528.db2.gz VCLXHJVKWFPOGZ-MUMMTRGTSA-N 2 0 396.532 0.659 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncncc2F)[C@H](O)OC(C)(C)C)C1 ZINC001170396234 1205491576 /nfs/dbraw/zinc/49/15/76/1205491576.db2.gz BUJGYIVILPFBAE-UMCUTINXSA-N 2 0 385.484 0.889 20 0 GCADRP COc1cnc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cn1 ZINC001170394233 1205491578 /nfs/dbraw/zinc/49/15/78/1205491578.db2.gz VMYISJLWXQUJKV-TZUPDSNESA-N 2 0 397.520 0.759 20 0 GCADRP COc1ncncc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392770 1205491581 /nfs/dbraw/zinc/49/15/81/1205491581.db2.gz QLBMZRLCGVVDCZ-LYHUEXMXSA-N 2 0 397.520 0.759 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000793659143 1205501695 /nfs/dbraw/zinc/50/16/95/1205501695.db2.gz VWJBWFRTMFFPGO-UHFFFAOYSA-N 2 0 386.500 0.440 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000793708617 1205503140 /nfs/dbraw/zinc/50/31/40/1205503140.db2.gz IZGFNAVTFVVUPT-ROUUACIJSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000793718018 1205503485 /nfs/dbraw/zinc/50/34/85/1205503485.db2.gz AEAQOSYGOIPAII-DLBZAZTESA-N 2 0 395.548 0.036 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[NH+](C)C)cc1 ZINC000793717051 1205503508 /nfs/dbraw/zinc/50/35/08/1205503508.db2.gz DGGVIOHSIFHRDF-QYZOEREBSA-N 2 0 388.512 0.693 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000793702059 1205504249 /nfs/dbraw/zinc/50/42/49/1205504249.db2.gz RXPSMYCTYWTJPA-QZTJIDSGSA-N 2 0 379.549 0.215 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000793702065 1205504271 /nfs/dbraw/zinc/50/42/71/1205504271.db2.gz RXPSMYCTYWTJPA-ZWKOTPCHSA-N 2 0 379.549 0.215 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000793708990 1205504944 /nfs/dbraw/zinc/50/49/44/1205504944.db2.gz NMEMSWXWCCRLHU-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738017 1205505475 /nfs/dbraw/zinc/50/54/75/1205505475.db2.gz MUHOHKUMWCNXQU-KRWDZBQOSA-N 2 0 393.576 0.650 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)C1 ZINC000793738790 1205505634 /nfs/dbraw/zinc/50/56/34/1205505634.db2.gz VTNMRURWZNYVMH-GOSISDBHSA-N 2 0 393.576 0.604 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCNC(=O)C(F)(F)F)C1 ZINC001110101661 1205506426 /nfs/dbraw/zinc/50/64/26/1205506426.db2.gz YYBZRGOWEVMAMP-MQYQWHSLSA-N 2 0 376.423 0.728 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000793909438 1205509178 /nfs/dbraw/zinc/50/91/78/1205509178.db2.gz GYEBFNJRECSVFJ-BRWVUGGUSA-N 2 0 380.533 0.593 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000805636054 1205541772 /nfs/dbraw/zinc/54/17/72/1205541772.db2.gz JOAXQZDJCRMBFK-FGTMMUONSA-N 2 0 394.560 0.983 20 0 GCADRP [NH3+]CCOCCOCCNc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001170512555 1205568150 /nfs/dbraw/zinc/56/81/50/1205568150.db2.gz GHZQOEXUAIECCB-UHFFFAOYSA-N 2 0 386.518 0.121 20 0 GCADRP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n[nH]2)CC[N@@H+]1C ZINC001130783280 1205570327 /nfs/dbraw/zinc/57/03/27/1205570327.db2.gz VICGPRFXTYIPSM-LXTVHRRPSA-N 2 0 382.484 0.930 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807456707 1205581904 /nfs/dbraw/zinc/58/19/04/1205581904.db2.gz GHTGLKJTFKCIKC-UHFFFAOYSA-N 2 0 382.549 0.984 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170563561 1205613556 /nfs/dbraw/zinc/61/35/56/1205613556.db2.gz MGGLHNLVAQICMS-YQQAZPJKSA-N 2 0 394.516 0.976 20 0 GCADRP CC(C)([NH3+])CN(c1nccnc1N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001170595446 1205633059 /nfs/dbraw/zinc/63/30/59/1205633059.db2.gz BGGFQFIKAHPZIL-UHFFFAOYSA-N 2 0 390.513 0.819 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)CN1C(=O)OC(C)(C)C ZINC001170612745 1205641012 /nfs/dbraw/zinc/64/10/12/1205641012.db2.gz GZUWKAVZPZFYAI-MJBXVCDLSA-N 2 0 387.477 0.655 20 0 GCADRP O=C(CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296861 1205689224 /nfs/dbraw/zinc/68/92/24/1205689224.db2.gz MLKJNZSVSCYHJT-DLBZAZTESA-N 2 0 381.521 0.141 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170774673 1205697150 /nfs/dbraw/zinc/69/71/50/1205697150.db2.gz MMYRABWLWJHGRH-NUEKZKHPSA-N 2 0 380.489 0.179 20 0 GCADRP CCN1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC1=O ZINC001172042998 1205712445 /nfs/dbraw/zinc/71/24/45/1205712445.db2.gz ZRGSHQZMGIJPSZ-QGZVFWFLSA-N 2 0 380.533 0.500 20 0 GCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001172115041 1205713276 /nfs/dbraw/zinc/71/32/76/1205713276.db2.gz FXWNVVWKYDDJQO-ZSHCYNCHSA-N 2 0 381.546 0.806 20 0 GCADRP CC1(C)C[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CO1 ZINC001172275944 1205714714 /nfs/dbraw/zinc/71/47/14/1205714714.db2.gz AIYRJKXRXZFHCI-KRWDZBQOSA-N 2 0 378.510 0.185 20 0 GCADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001172601336 1205716347 /nfs/dbraw/zinc/71/63/47/1205716347.db2.gz KCKQPKKXTJCCKH-IRXDYDNUSA-N 2 0 376.494 0.333 20 0 GCADRP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612624 1205716371 /nfs/dbraw/zinc/71/63/71/1205716371.db2.gz COSAHIPPEQPJLT-BRSBDYLESA-N 2 0 381.517 0.829 20 0 GCADRP CO[C@@H]1CCC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001172920900 1205717854 /nfs/dbraw/zinc/71/78/54/1205717854.db2.gz UQHGGTMJUGJGMO-RBUKOAKNSA-N 2 0 392.537 0.575 20 0 GCADRP CO[C@@H]1CCC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001172920901 1205718095 /nfs/dbraw/zinc/71/80/95/1205718095.db2.gz UQHGGTMJUGJGMO-RTBURBONSA-N 2 0 392.537 0.575 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363192 1205719951 /nfs/dbraw/zinc/71/99/51/1205719951.db2.gz JOBNSQROQAIGFH-HHXXYDBFSA-N 2 0 379.480 0.911 20 0 GCADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)CCN1C(=O)c1ccccc1 ZINC001173484319 1205720937 /nfs/dbraw/zinc/72/09/37/1205720937.db2.gz MGHNDDWTARJGRC-MOPGFXCFSA-N 2 0 388.512 0.670 20 0 GCADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCO)CCN1C(=O)c1ccccc1 ZINC001173509067 1205722004 /nfs/dbraw/zinc/72/20/04/1205722004.db2.gz QFQKFIXVAYSQJT-ZWKOTPCHSA-N 2 0 377.485 0.737 20 0 GCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173750193 1205727173 /nfs/dbraw/zinc/72/71/73/1205727173.db2.gz HSRZERGPGHEHBE-GJZGRUSLSA-N 2 0 378.477 0.753 20 0 GCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173749972 1205727174 /nfs/dbraw/zinc/72/71/74/1205727174.db2.gz DJAHNQOITLWWSY-ROUUACIJSA-N 2 0 385.516 0.981 20 0 GCADRP CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001176596282 1205749088 /nfs/dbraw/zinc/74/90/88/1205749088.db2.gz IZICRZNMTQIFKH-CYBMUJFWSA-N 2 0 393.492 0.711 20 0 GCADRP C[NH+]1CCN(c2ccc(-n3ccc(=[NH+]CCN4CCOCC4)c(N)c3)cn2)CC1 ZINC001176654603 1205752249 /nfs/dbraw/zinc/75/22/49/1205752249.db2.gz LWDMWWWRBVRSAH-UHFFFAOYSA-N 2 0 397.527 0.439 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C ZINC001177093509 1205762282 /nfs/dbraw/zinc/76/22/82/1205762282.db2.gz FEMJWJKNUKXBJE-AWEZNQCLSA-N 2 0 395.508 0.909 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001177875358 1205777762 /nfs/dbraw/zinc/77/77/62/1205777762.db2.gz WPJKLFVEJFLYNA-MUMMTRGTSA-N 2 0 396.532 0.853 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 ZINC001178666322 1205791624 /nfs/dbraw/zinc/79/16/24/1205791624.db2.gz GKYCUKLWMONWAE-KGLIPLIRSA-N 2 0 385.509 0.668 20 0 GCADRP C[NH+](C)C1CN(C(=O)[C@H]2C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)C1 ZINC001179150415 1205804125 /nfs/dbraw/zinc/80/41/25/1205804125.db2.gz LHESTNLQTGWHFH-MRXNPFEDSA-N 2 0 396.532 0.859 20 0 GCADRP CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N(CCCC[NH3+])C(N)=[NH2+])=NO2)C1 ZINC001179209805 1205805018 /nfs/dbraw/zinc/80/50/18/1205805018.db2.gz WNRQBWAKBHLGCW-KRWDZBQOSA-N 2 0 382.465 0.603 20 0 GCADRP C[C@@H](C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)[NH+]1CCCC1 ZINC001180578360 1205826140 /nfs/dbraw/zinc/82/61/40/1205826140.db2.gz GAIOGEHTRCIKNF-WMZOPIPTSA-N 2 0 390.532 0.838 20 0 GCADRP NC(=O)C1CC[NH+](CCC(=O)N2CCC(COCC[NH+]3CCCC3)CC2)CC1 ZINC001180607230 1205828378 /nfs/dbraw/zinc/82/83/78/1205828378.db2.gz AFOYNEACDBBGLD-UHFFFAOYSA-N 2 0 394.560 0.925 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001180797789 1205832433 /nfs/dbraw/zinc/83/24/33/1205832433.db2.gz UARHXGXEDIPYCL-UHFFFAOYSA-N 2 0 384.525 0.603 20 0 GCADRP COC(=O)[C@@H]1C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCN1C(=O)OC(C)(C)C ZINC001181490005 1205844662 /nfs/dbraw/zinc/84/46/62/1205844662.db2.gz UDCSKIWXZPLXEP-STQMWFEESA-N 2 0 399.492 0.636 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001181904680 1205851903 /nfs/dbraw/zinc/85/19/03/1205851903.db2.gz OMXHIPPGOLMSLZ-BMNGQXQTSA-N 2 0 399.532 0.651 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001181978349 1205852499 /nfs/dbraw/zinc/85/24/99/1205852499.db2.gz OOJQRGPCEDARIG-AWEZNQCLSA-N 2 0 377.489 0.581 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(=O)C2CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001182671402 1205878094 /nfs/dbraw/zinc/87/80/94/1205878094.db2.gz IPMLNJXIWCXMKF-ALCWZJMGSA-N 2 0 385.505 0.261 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H](CO)NC(=O)OC(C)(C)C ZINC001182692203 1205878900 /nfs/dbraw/zinc/87/89/00/1205878900.db2.gz NSHPYCSQQNSVQV-INIZCTEOSA-N 2 0 388.553 0.994 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC001182858084 1205881808 /nfs/dbraw/zinc/88/18/08/1205881808.db2.gz PLOCOKGUUMEOLG-CYBMUJFWSA-N 2 0 376.486 0.517 20 0 GCADRP CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001182950835 1205883473 /nfs/dbraw/zinc/88/34/73/1205883473.db2.gz HUCBMKYQAAIMIL-INIZCTEOSA-N 2 0 388.553 0.946 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185631417 1205926216 /nfs/dbraw/zinc/92/62/16/1205926216.db2.gz KZOVZFRZFPDLHM-UHFFFAOYSA-N 2 0 375.477 0.085 20 0 GCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)CC[C@@H]21 ZINC001186037091 1205933454 /nfs/dbraw/zinc/93/34/54/1205933454.db2.gz DXXIAQBFTWTZNG-HCXYKTFWSA-N 2 0 375.517 0.650 20 0 GCADRP Cc1cnc2c(N(CC[NH3+])C(=O)CN3CC[C@H](O)C3)nc3ccc(C)cc3n12 ZINC001186054967 1205934330 /nfs/dbraw/zinc/93/43/30/1205934330.db2.gz JWNMEMWDMYRHDQ-HNNXBMFYSA-N 2 0 382.468 0.858 20 0 GCADRP CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186503613 1205940715 /nfs/dbraw/zinc/94/07/15/1205940715.db2.gz QUJPYQJVXXTDAF-IHRRRGAJSA-N 2 0 383.493 0.719 20 0 GCADRP CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186503614 1205940717 /nfs/dbraw/zinc/94/07/17/1205940717.db2.gz QUJPYQJVXXTDAF-MELADBBJSA-N 2 0 383.493 0.719 20 0 GCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2ccccc2N2CC[NH+](C)CC2)O1 ZINC001186905008 1205951178 /nfs/dbraw/zinc/95/11/78/1205951178.db2.gz GOTJEFHBKYAWLZ-GGPKGHCWSA-N 2 0 376.501 0.893 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCNC(C)=O)C[C@H]32)CC[N@@H+]1C ZINC001187971384 1205972674 /nfs/dbraw/zinc/97/26/74/1205972674.db2.gz LFZMMAFAKKRHHI-INDMIFKZSA-N 2 0 380.533 0.402 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cccnn2)[C@H](O)OC(C)(C)C)C1 ZINC001188678732 1205989064 /nfs/dbraw/zinc/98/90/64/1205989064.db2.gz AXEHBAWFJVFEEZ-WSLKZVHASA-N 2 0 395.504 0.386 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001189552656 1206009455 /nfs/dbraw/zinc/00/94/55/1206009455.db2.gz VDFJYVVWBSFYHP-VGIVHPTCSA-N 2 0 399.492 0.025 20 0 GCADRP C[NH+]1CCN(C2CC[NH+](C3CCN(S(=O)(=O)CCCF)CC3)CC2)CC1 ZINC001189902968 1206022483 /nfs/dbraw/zinc/02/24/83/1206022483.db2.gz YXPDJPAGBZPJDO-UHFFFAOYSA-N 2 0 390.569 0.852 20 0 GCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164682674 719704762 /nfs/dbraw/zinc/70/47/62/719704762.db2.gz GJASNSYHGMHIRN-UHFFFAOYSA-N 2 0 378.908 0.957 20 0 GCADRP Cn1nnc2c1CCN(c1cc3c(nn1)CC[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715759 720189239 /nfs/dbraw/zinc/18/92/39/720189239.db2.gz NDRBKHBERSUJND-GOSISDBHSA-N 2 0 398.515 0.467 20 0 GCADRP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737774 720739969 /nfs/dbraw/zinc/73/99/69/720739969.db2.gz CQNKYZCTCRIWHV-ZWKOTPCHSA-N 2 0 381.484 0.623 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@@H]2C1 ZINC001164846340 720832671 /nfs/dbraw/zinc/83/26/71/720832671.db2.gz DOBPGNWRWSYZBH-CZUORRHYSA-N 2 0 381.908 0.949 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@@H]2C1 ZINC001164846339 720832841 /nfs/dbraw/zinc/83/28/41/720832841.db2.gz DOBPGNWRWSYZBH-CJNGLKHVSA-N 2 0 381.908 0.949 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@H]2C1 ZINC001164846341 720832951 /nfs/dbraw/zinc/83/29/51/720832951.db2.gz DOBPGNWRWSYZBH-XJKSGUPXSA-N 2 0 381.908 0.949 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164848704 720840730 /nfs/dbraw/zinc/84/07/30/720840730.db2.gz AWOCVEMXRKKPIE-IAGOWNOFSA-N 2 0 376.505 0.060 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164855990 720858828 /nfs/dbraw/zinc/85/88/28/720858828.db2.gz NGLJLJLKXYCJOB-IAGOWNOFSA-N 2 0 376.505 0.060 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@@H]2C1 ZINC001164857383 720868499 /nfs/dbraw/zinc/86/84/99/720868499.db2.gz QRPMCTAAMLNSNU-IEBWSBKVSA-N 2 0 375.517 0.665 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164754214 720945145 /nfs/dbraw/zinc/94/51/45/720945145.db2.gz UMRFLWAOVOJQEY-UHFFFAOYSA-N 2 0 385.472 0.007 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762664 721079602 /nfs/dbraw/zinc/07/96/02/721079602.db2.gz FFHBNUDWHSDLMH-MOPGFXCFSA-N 2 0 396.543 0.920 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164773648 721143761 /nfs/dbraw/zinc/14/37/61/721143761.db2.gz YNLMYXFQKCKTIV-QZTJIDSGSA-N 2 0 382.516 0.578 20 0 GCADRP Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(C[NH3+])c1 ZINC001164875668 721280078 /nfs/dbraw/zinc/28/00/78/721280078.db2.gz ZEYOIGPOVJQIRR-UHFFFAOYSA-N 2 0 375.517 0.856 20 0 GCADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C5C[NH2+]C5)ncn4)C3)O2)CC1 ZINC001164884296 721453337 /nfs/dbraw/zinc/45/33/37/721453337.db2.gz AOZFGKDUFGOFFL-NQIIRXRSSA-N 2 0 386.544 0.929 20 0 GCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)CC1 ZINC001164797754 721517495 /nfs/dbraw/zinc/51/74/95/721517495.db2.gz MKJMBGSJFSTFIA-UHFFFAOYSA-N 2 0 396.543 0.455 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264724 945491738 /nfs/dbraw/zinc/49/17/38/945491738.db2.gz VCUGJNFLBXBTLP-IAGOWNOFSA-N 2 0 385.472 0.135 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821586228 945724567 /nfs/dbraw/zinc/72/45/67/945724567.db2.gz PCFVPXNEEPLANW-UHFFFAOYSA-N 2 0 390.492 0.380 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825450629 947193311 /nfs/dbraw/zinc/19/33/11/947193311.db2.gz BSHLXEWMYLXNAJ-CQSZACIVSA-N 2 0 390.492 0.580 20 0 GCADRP CC(C)(C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+]1CCCC1 ZINC001573773744 948993066 /nfs/dbraw/zinc/99/30/66/948993066.db2.gz GPOLNZAWNZFZQP-INIZCTEOSA-N 2 0 384.488 0.865 20 0 GCADRP CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573782724 949128776 /nfs/dbraw/zinc/12/87/76/949128776.db2.gz WGOOGDDKQSHLPS-OKILXGFUSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254293 949199018 /nfs/dbraw/zinc/19/90/18/949199018.db2.gz MJEPXPDBNWYJCQ-AWEZNQCLSA-N 2 0 381.484 0.899 20 0 GCADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575265563 949452121 /nfs/dbraw/zinc/45/21/21/949452121.db2.gz USWCLEBOXGDOGU-RYUDHWBXSA-N 2 0 375.502 0.816 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574955774 949570501 /nfs/dbraw/zinc/57/05/01/949570501.db2.gz DYYCFABMLCBKGE-YRGRVCCFSA-N 2 0 375.452 0.940 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574957497 949620174 /nfs/dbraw/zinc/62/01/74/949620174.db2.gz ZHIIKSFYPFLUPP-LALPHHSUSA-N 2 0 375.452 0.940 20 0 GCADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573855530 950379474 /nfs/dbraw/zinc/37/94/74/950379474.db2.gz XJGGICGFAVXMND-GOSISDBHSA-N 2 0 390.467 0.814 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576197400 950392386 /nfs/dbraw/zinc/39/23/86/950392386.db2.gz MZUOBHHWPVHILT-XJKSGUPXSA-N 2 0 384.488 0.674 20 0 GCADRP CC1CC[NH+](CC(=O)N2CCC[C@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576198800 950415881 /nfs/dbraw/zinc/41/58/81/950415881.db2.gz VMRPANITDPJGFL-HNNXBMFYSA-N 2 0 384.488 0.818 20 0 GCADRP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001576204875 950484238 /nfs/dbraw/zinc/48/42/38/950484238.db2.gz DDWLUQWJMZSIGQ-KRWDZBQOSA-N 2 0 387.488 0.165 20 0 GCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205403 950511950 /nfs/dbraw/zinc/51/19/50/950511950.db2.gz INIBTVZLCRHFGM-QWHCGFSZSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575918455 950597610 /nfs/dbraw/zinc/59/76/10/950597610.db2.gz BZIVXHKLRRUSKF-HOCLYGCPSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575918664 950600675 /nfs/dbraw/zinc/60/06/75/950600675.db2.gz DOICUEXGLUJNKN-HOCLYGCPSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208024 950603954 /nfs/dbraw/zinc/60/39/54/950603954.db2.gz LETSBZNJEJUSSQ-SOUVJXGZSA-N 2 0 384.488 0.722 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208357 950610086 /nfs/dbraw/zinc/61/00/86/950610086.db2.gz OHYQMNWNTQUHDC-QWHCGFSZSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229178 950962477 /nfs/dbraw/zinc/96/24/77/950962477.db2.gz JOSXTUONIULDRB-UONOGXRCSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574774544 951008657 /nfs/dbraw/zinc/00/86/57/951008657.db2.gz CZIDFOMTJJLJDS-OCCSQVGLSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077229 951663988 /nfs/dbraw/zinc/66/39/88/951663988.db2.gz AWVVVTLVIOGTIC-ZDUSSCGKSA-N 2 0 375.452 0.944 20 0 GCADRP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575080712 951715068 /nfs/dbraw/zinc/71/50/68/951715068.db2.gz NDCZKKFJZIAWRB-QWHCGFSZSA-N 2 0 375.452 0.894 20 0 GCADRP O=C(Cn1ccnc1)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142740 952646390 /nfs/dbraw/zinc/64/63/90/952646390.db2.gz XDLAJVLPZXKXDI-IAGOWNOFSA-N 2 0 378.440 0.796 20 0 GCADRP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001571190795 952944839 /nfs/dbraw/zinc/94/48/39/952944839.db2.gz MDGONZMPGOBHCG-RHSMWYFYSA-N 2 0 381.484 0.899 20 0 GCADRP C[NH+](C)C[C@@H]1CN(c2nc3ncccc3cc2-c2nn[nH]n2)C[C@H]1C[NH+](C)C ZINC001571191665 952946663 /nfs/dbraw/zinc/94/66/63/952946663.db2.gz QDVOAFXTJHKMBC-HUUCEWRRSA-N 2 0 381.488 0.986 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nn[nH]n4)cc2)C3)C1 ZINC001571191659 952946800 /nfs/dbraw/zinc/94/68/00/952946800.db2.gz QAISUQVHYVAQKH-QGZVFWFLSA-N 2 0 381.484 0.853 20 0 GCADRP Cc1cc(N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571213544 953096780 /nfs/dbraw/zinc/09/67/80/953096780.db2.gz RPTLKNDAEISRMF-DZGCQCFKSA-N 2 0 382.472 0.489 20 0 GCADRP Cc1cc(N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571213545 953096789 /nfs/dbraw/zinc/09/67/89/953096789.db2.gz RPTLKNDAEISRMF-HIFRSBDPSA-N 2 0 382.472 0.489 20 0 GCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001571250223 953309474 /nfs/dbraw/zinc/30/94/74/953309474.db2.gz OPPDJGFVLQCZIC-DZGCQCFKSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571251536 953319137 /nfs/dbraw/zinc/31/91/37/953319137.db2.gz ZLUBNABETQSSRP-AWEZNQCLSA-N 2 0 384.488 0.676 20 0 GCADRP Cc1cc(N[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252242 953325135 /nfs/dbraw/zinc/32/51/35/953325135.db2.gz IPHUUGAMYXSIGN-GJZGRUSLSA-N 2 0 384.488 0.737 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571252524 953329323 /nfs/dbraw/zinc/32/93/23/953329323.db2.gz OLWJGPQTTUPJKB-QLFBSQMISA-N 2 0 384.488 0.674 20 0 GCADRP CNS(=O)(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000525451130 530153777 /nfs/dbraw/zinc/15/37/77/530153777.db2.gz NKTJCFFZGBYFBD-UHFFFAOYSA-N 2 0 391.563 0.291 20 0 GCADRP COC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000530534591 530145391 /nfs/dbraw/zinc/14/53/91/530145391.db2.gz GNYKEYUKYHUGPY-UHFFFAOYSA-N 2 0 375.466 0.726 20 0 GCADRP CC[NH+](CC)CCN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000648149270 530171624 /nfs/dbraw/zinc/17/16/24/530171624.db2.gz FRULSIUTORGJMK-ZIAGYGMSSA-N 2 0 381.489 0.589 20 0 GCADRP CN1CCN(C(=O)COc2cccc(I)c2)[C@@H](C[NH3+])C1 ZINC000570799500 530325259 /nfs/dbraw/zinc/32/52/59/530325259.db2.gz RIRTUTSMGIBVFH-LBPRGKRZSA-N 2 0 389.237 0.771 20 0 GCADRP CS[C@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@H]1[NH+](C)C ZINC000480938108 530773777 /nfs/dbraw/zinc/77/37/77/530773777.db2.gz XJMZXMVRDARNQU-CABCVRRESA-N 2 0 389.591 0.728 20 0 GCADRP COCCCS(=O)(=O)NCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000376223974 530811573 /nfs/dbraw/zinc/81/15/73/530811573.db2.gz DHUJBDSVMUSQPW-UHFFFAOYSA-N 2 0 377.551 0.377 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCC(OC)CC1 ZINC000656892111 530857475 /nfs/dbraw/zinc/85/74/75/530857475.db2.gz WZSUBROTRGOSGC-MRXNPFEDSA-N 2 0 376.567 0.690 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419881104 530963634 /nfs/dbraw/zinc/96/36/34/530963634.db2.gz LCSGMXIOVJCCKZ-OAHLLOKOSA-N 2 0 397.317 0.817 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000521465009 530939638 /nfs/dbraw/zinc/93/96/38/530939638.db2.gz KUEIMUKMJBIWEC-CYBMUJFWSA-N 2 0 388.559 0.884 20 0 GCADRP COCCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000192767491 530972967 /nfs/dbraw/zinc/97/29/67/530972967.db2.gz NJARSYAAOLWXIY-GOSISDBHSA-N 2 0 375.579 0.928 20 0 GCADRP COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1OC ZINC000420453496 530967960 /nfs/dbraw/zinc/96/79/60/530967960.db2.gz KKPSWTRBAHIPQS-UHFFFAOYSA-N 2 0 393.893 0.824 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423180389 531017427 /nfs/dbraw/zinc/01/74/27/531017427.db2.gz NKNPWUZSDHMAGD-OAHLLOKOSA-N 2 0 397.317 0.899 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000677397407 531146544 /nfs/dbraw/zinc/14/65/44/531146544.db2.gz DAYPIAONNZBHPZ-UHFFFAOYSA-N 2 0 376.567 0.726 20 0 GCADRP CC(=O)Nc1ncc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000553848611 531157434 /nfs/dbraw/zinc/15/74/34/531157434.db2.gz HGDRFDPRXHJDAL-UHFFFAOYSA-N 2 0 391.563 0.996 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccn1 ZINC000359898967 206269002 /nfs/dbraw/zinc/26/90/02/206269002.db2.gz NOCYPYGGODRZEU-QGZVFWFLSA-N 2 0 389.500 0.576 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736859272 599080194 /nfs/dbraw/zinc/08/01/94/599080194.db2.gz YIAWIQTVOIHSTF-INIZCTEOSA-N 2 0 398.515 0.907 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000821587242 607062574 /nfs/dbraw/zinc/06/25/74/607062574.db2.gz MYTCLCMILHBOFH-UHFFFAOYSA-N 2 0 375.452 0.896 20 0 GCADRP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000826168286 608370740 /nfs/dbraw/zinc/37/07/40/608370740.db2.gz IUXUSRFMISKCKK-UHFFFAOYSA-N 2 0 387.488 0.765 20 0 GCADRP C[C@H](CNC(=S)NC1CC[NH+](C)CC1)NC(=S)NC1CC[NH+](C)CC1 ZINC000920307181 639919134 /nfs/dbraw/zinc/91/91/34/639919134.db2.gz YGXUIAABQMRVOW-CYBMUJFWSA-N 2 0 386.635 0.492 20 0 GCADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000923354180 640136234 /nfs/dbraw/zinc/13/62/34/640136234.db2.gz LBAFYYLYOMUXBT-UHFFFAOYSA-N 2 0 390.351 0.030 20 0 GCADRP COC(=O)CC1(CS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000773314616 640862579 /nfs/dbraw/zinc/86/25/79/640862579.db2.gz KNPRYRZRPCNPHO-UHFFFAOYSA-N 2 0 375.535 0.617 20 0 GCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863543807 641240373 /nfs/dbraw/zinc/24/03/73/641240373.db2.gz ZHLWPXSMEXSPRZ-CYBMUJFWSA-N 2 0 393.531 0.299 20 0 GCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000863548075 641241360 /nfs/dbraw/zinc/24/13/60/641241360.db2.gz URMKMXOTUFECAI-CYBMUJFWSA-N 2 0 393.531 0.428 20 0 GCADRP CO[C@H](CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCOC1 ZINC000867591035 641360234 /nfs/dbraw/zinc/36/02/34/641360234.db2.gz XSCQBFMQVLOGMY-YLFCFFPRSA-N 2 0 377.551 0.039 20 0 GCADRP CO[C@@H](CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCOC1 ZINC000867591034 641360341 /nfs/dbraw/zinc/36/03/41/641360341.db2.gz XSCQBFMQVLOGMY-VQHPVUNQSA-N 2 0 377.551 0.039 20 0 GCADRP CNS(=O)(=O)c1csc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870021025 641432258 /nfs/dbraw/zinc/43/22/58/641432258.db2.gz LJMGYFJVDSGPPM-CHWSQXEVSA-N 2 0 388.559 0.468 20 0 GCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000872510376 641475447 /nfs/dbraw/zinc/47/54/47/641475447.db2.gz RHLRTGRJCZWWJS-CSTKLKAISA-N 2 0 382.596 0.799 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCC(C)(C)S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000875668226 641550835 /nfs/dbraw/zinc/55/08/35/641550835.db2.gz WXNRVELXWFADNF-HUUCEWRRSA-N 2 0 376.567 0.581 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849359 641659226 /nfs/dbraw/zinc/65/92/26/641659226.db2.gz PCCHOKCATMQHMI-LFVRLGFBSA-N 2 0 383.584 0.154 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000809528630 641709831 /nfs/dbraw/zinc/70/98/31/641709831.db2.gz BWBVIPAAUAYULQ-QLFBSQMISA-N 2 0 388.603 0.434 20 0 GCADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000925710188 641915960 /nfs/dbraw/zinc/91/59/60/641915960.db2.gz VXIMFZSFHCNWMF-QJZHLUCQSA-N 2 0 383.290 0.916 20 0 GCADRP CS(=O)(=O)[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC000800467381 642082578 /nfs/dbraw/zinc/08/25/78/642082578.db2.gz XVKWJYKNNWLPBM-HZPDHXFCSA-N 2 0 380.576 0.785 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662987152 1192178638 /nfs/dbraw/zinc/17/86/38/1192178638.db2.gz RCMAJUGXHHOPTA-XWSJACJDSA-N 2 0 393.576 0.589 20 0 GCADRP CC[NH+]1CCN(CC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000663018084 1192186033 /nfs/dbraw/zinc/18/60/33/1192186033.db2.gz NPDBVPMGBYAVSY-QGZVFWFLSA-N 2 0 389.548 0.163 20 0 GCADRP C[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354151 1192202964 /nfs/dbraw/zinc/20/29/64/1192202964.db2.gz OGGJUDAFDCRRBQ-CRAIPNDOSA-N 2 0 396.557 0.832 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000661980360 1192211089 /nfs/dbraw/zinc/21/10/89/1192211089.db2.gz AUROIRUNCWJPKQ-GUDVDZBRSA-N 2 0 380.533 0.917 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652460506 1192228349 /nfs/dbraw/zinc/22/83/49/1192228349.db2.gz XZQIRBPSCOCUNI-QGZVFWFLSA-N 2 0 380.533 0.642 20 0 GCADRP O=C(CN1CCC(C[NH+]2CCOCC2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000051957816 1192255471 /nfs/dbraw/zinc/25/54/71/1192255471.db2.gz WHVWZUFZNBHLSJ-SFHVURJKSA-N 2 0 389.496 0.987 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000636676512 1192256749 /nfs/dbraw/zinc/25/67/49/1192256749.db2.gz JHRKSUQHXDATOC-OALUTQOASA-N 2 0 388.512 0.522 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000636676670 1192257565 /nfs/dbraw/zinc/25/75/65/1192257565.db2.gz JHRKSUQHXDATOC-RTBURBONSA-N 2 0 388.512 0.522 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652624637 1192257721 /nfs/dbraw/zinc/25/77/21/1192257721.db2.gz MCBWSDFKMKSFKI-INIZCTEOSA-N 2 0 392.525 0.918 20 0 GCADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)cc1 ZINC000636702840 1192272336 /nfs/dbraw/zinc/27/23/36/1192272336.db2.gz ZUBPGDSTGAIDTN-OALUTQOASA-N 2 0 387.528 0.048 20 0 GCADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000662263537 1192273044 /nfs/dbraw/zinc/27/30/44/1192273044.db2.gz CCIUKFJRAGEGCG-FUHWJXTLSA-N 2 0 394.541 0.675 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)C2)CC1 ZINC000511968690 1192281013 /nfs/dbraw/zinc/28/10/13/1192281013.db2.gz AZAUNQKCYXVJLJ-JLAWEPINSA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cnnn3C3CC[NH2+]CC3)cn2)CC1 ZINC000662365851 1192286536 /nfs/dbraw/zinc/28/65/36/1192286536.db2.gz XOWAXJYWPMWTBB-UHFFFAOYSA-N 2 0 384.488 0.279 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662417819 1192290276 /nfs/dbraw/zinc/29/02/76/1192290276.db2.gz WMMYXPAXAXAIEJ-UHFFFAOYSA-N 2 0 384.488 0.279 20 0 GCADRP [NH3+]CCn1cc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nn1 ZINC000662469527 1192301939 /nfs/dbraw/zinc/30/19/39/1192301939.db2.gz YXYCHQGJJOZPQX-UHFFFAOYSA-N 2 0 376.436 0.649 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)CCO1 ZINC000511981612 1192331635 /nfs/dbraw/zinc/33/16/35/1192331635.db2.gz ITFBMEQQPLNYGF-LRYGQEGESA-N 2 0 392.544 0.831 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663451226 1192343069 /nfs/dbraw/zinc/34/30/69/1192343069.db2.gz APPVWUFGZWUFHC-GOSISDBHSA-N 2 0 375.517 0.922 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cnccc1C(F)(F)F ZINC000663539108 1192378541 /nfs/dbraw/zinc/37/85/41/1192378541.db2.gz ONRMZLJQCKIDKD-UHFFFAOYSA-N 2 0 389.422 0.668 20 0 GCADRP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000663562303 1192390790 /nfs/dbraw/zinc/39/07/90/1192390790.db2.gz YULPGQPDXAYSCE-RBUKOAKNSA-N 2 0 381.565 0.811 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000585716554 1192396103 /nfs/dbraw/zinc/39/61/03/1192396103.db2.gz IBTJTQLIHSMFCR-OALUTQOASA-N 2 0 393.576 0.461 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000585725333 1192398464 /nfs/dbraw/zinc/39/84/64/1192398464.db2.gz MSTFKHSQVGTDCT-CEXWTWQISA-N 2 0 391.560 0.356 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663612629 1192417262 /nfs/dbraw/zinc/41/72/62/1192417262.db2.gz ZASLZHURKAIZHV-LJQANCHMSA-N 2 0 375.473 0.774 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652672384 1192418283 /nfs/dbraw/zinc/41/82/83/1192418283.db2.gz IGUWRKDKUZWVEQ-GBESFXJTSA-N 2 0 394.560 0.970 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652672386 1192418642 /nfs/dbraw/zinc/41/86/42/1192418642.db2.gz IGUWRKDKUZWVEQ-OTWHNJEPSA-N 2 0 394.560 0.970 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000663624227 1192424505 /nfs/dbraw/zinc/42/45/05/1192424505.db2.gz MLNXXHCVIGNYRL-UHFFFAOYSA-N 2 0 375.517 0.706 20 0 GCADRP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001719851573 1192427934 /nfs/dbraw/zinc/42/79/34/1192427934.db2.gz ZSCCPKKSBQODHF-IKGGRYGDSA-N 2 0 380.533 0.687 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H](c2ccccc2)C1 ZINC000663646351 1192444667 /nfs/dbraw/zinc/44/46/67/1192444667.db2.gz LGOZTWKFLRBVKN-AABGKKOBSA-N 2 0 389.544 0.682 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000279046865 1192446300 /nfs/dbraw/zinc/44/63/00/1192446300.db2.gz RCBJIKHPVSHWQV-INIZCTEOSA-N 2 0 384.484 0.708 20 0 GCADRP C[C@@H](NC(=O)COCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000512136148 1192469061 /nfs/dbraw/zinc/46/90/61/1192469061.db2.gz BYQZKZZEFLMCOG-HZPDHXFCSA-N 2 0 378.517 0.536 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ncccc1S(C)(=O)=O ZINC000279171305 1192477941 /nfs/dbraw/zinc/47/79/41/1192477941.db2.gz LBWXLWRJMAMSAH-UHFFFAOYSA-N 2 0 399.561 0.900 20 0 GCADRP C[C@@H](CN1CCOCC1)N(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000279251445 1192493477 /nfs/dbraw/zinc/49/34/77/1192493477.db2.gz PLNVSQSDSAGLIX-KRWDZBQOSA-N 2 0 390.532 0.696 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652678803 1192504998 /nfs/dbraw/zinc/50/49/98/1192504998.db2.gz PCXLJLDKCQZFOR-UHFFFAOYSA-N 2 0 376.501 0.749 20 0 GCADRP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637375549 1192519156 /nfs/dbraw/zinc/51/91/56/1192519156.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 2 0 394.564 0.136 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000509735510 1192530837 /nfs/dbraw/zinc/53/08/37/1192530837.db2.gz GDMMVFVYGFKGQB-AEFFLSMTSA-N 2 0 380.533 0.546 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)CC1 ZINC000112294646 1192601358 /nfs/dbraw/zinc/60/13/58/1192601358.db2.gz JQDMGMAATFCECA-LJQANCHMSA-N 2 0 386.544 0.685 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000512343255 1192616618 /nfs/dbraw/zinc/61/66/18/1192616618.db2.gz ONXISJRIOPSBMH-CQSZACIVSA-N 2 0 385.534 0.161 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418613723 1192617162 /nfs/dbraw/zinc/61/71/62/1192617162.db2.gz JWTKGEDCZWYCSL-GJZGRUSLSA-N 2 0 395.470 0.215 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418613725 1192617431 /nfs/dbraw/zinc/61/74/31/1192617431.db2.gz JWTKGEDCZWYCSL-LSDHHAIUSA-N 2 0 395.470 0.215 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623399 1192621400 /nfs/dbraw/zinc/62/14/00/1192621400.db2.gz XCJRKHKYCQGAPV-LSDHHAIUSA-N 2 0 395.470 0.575 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418754828 1192639868 /nfs/dbraw/zinc/63/98/68/1192639868.db2.gz FGQYRJSPQGKVJH-GBESFXJTSA-N 2 0 376.501 0.547 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000418788150 1192644279 /nfs/dbraw/zinc/64/42/79/1192644279.db2.gz VENAEDYFJJRVEU-GOSISDBHSA-N 2 0 387.528 0.525 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418781358 1192644549 /nfs/dbraw/zinc/64/45/49/1192644549.db2.gz LSWUZEXRRJFQKS-QGZVFWFLSA-N 2 0 375.517 0.511 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1)Cc1ccccc1 ZINC000418794155 1192645937 /nfs/dbraw/zinc/64/59/37/1192645937.db2.gz QYAIIWRUZJUMII-HXUWFJFHSA-N 2 0 389.544 0.824 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418806430 1192650779 /nfs/dbraw/zinc/65/07/79/1192650779.db2.gz OHWLFVBKDQHVTN-ROUUACIJSA-N 2 0 394.560 0.890 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CCCC1 ZINC000418807287 1192649799 /nfs/dbraw/zinc/64/97/99/1192649799.db2.gz PRZOVQBVYFKVIK-ROUUACIJSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805989 1192649861 /nfs/dbraw/zinc/64/98/61/1192649861.db2.gz OCDPULADLPWLNZ-IRXDYDNUSA-N 2 0 380.533 0.581 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000418809370 1192651558 /nfs/dbraw/zinc/65/15/58/1192651558.db2.gz SMECKMBSWWDXOG-ZWKOTPCHSA-N 2 0 394.560 0.829 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418813561 1192653326 /nfs/dbraw/zinc/65/33/26/1192653326.db2.gz YLNZHUBPSSTZDR-KRWDZBQOSA-N 2 0 380.533 0.725 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418813521 1192653585 /nfs/dbraw/zinc/65/35/85/1192653585.db2.gz YJOWRPAMHMXLLO-SJORKVTESA-N 2 0 380.533 0.642 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418813631 1192653631 /nfs/dbraw/zinc/65/36/31/1192653631.db2.gz YWTLSEDWMRFMDF-SJORKVTESA-N 2 0 380.533 0.581 20 0 GCADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000418826117 1192656938 /nfs/dbraw/zinc/65/69/38/1192656938.db2.gz CGPGKXUEXVXMJP-PBHICJAKSA-N 2 0 380.439 0.737 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)[NH+](C)C)cc1OC ZINC000418827314 1192657720 /nfs/dbraw/zinc/65/77/20/1192657720.db2.gz GRDSERIGRRTSRK-FMKPAKJESA-N 2 0 392.500 0.632 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418836562 1192658346 /nfs/dbraw/zinc/65/83/46/1192658346.db2.gz RMJJPYJKUIUPGI-GDBMZVCRSA-N 2 0 392.500 0.539 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)[NH+](C)C)cc1OC ZINC000418831598 1192659253 /nfs/dbraw/zinc/65/92/53/1192659253.db2.gz LACDOFWYWBTXAA-CQSZACIVSA-N 2 0 378.473 0.420 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418841252 1192662751 /nfs/dbraw/zinc/66/27/51/1192662751.db2.gz ABDJLDGEOFWUCU-MAUKXSAKSA-N 2 0 376.501 0.920 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)[NH+](C)C)cc1OC ZINC000418833032 1192660238 /nfs/dbraw/zinc/66/02/38/1192660238.db2.gz MUQDUUFAYMNJSP-LZWOXQAQSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)[NH+](C)C)cc1OC ZINC000418836191 1192660753 /nfs/dbraw/zinc/66/07/53/1192660753.db2.gz QTNQPMYYCDNCGK-DZGCQCFKSA-N 2 0 378.473 0.243 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)C1 ZINC000418834409 1192660898 /nfs/dbraw/zinc/66/08/98/1192660898.db2.gz OIYZEMPTWXGETP-HUUCEWRRSA-N 2 0 378.473 0.243 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418838413 1192661454 /nfs/dbraw/zinc/66/14/54/1192661454.db2.gz VHITWSVWLNBQMW-LSDHHAIUSA-N 2 0 378.473 0.291 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418838410 1192661598 /nfs/dbraw/zinc/66/15/98/1192661598.db2.gz VHITWSVWLNBQMW-CABCVRRESA-N 2 0 378.473 0.291 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[NH+](C)C)cc1OC ZINC000418837637 1192661916 /nfs/dbraw/zinc/66/19/16/1192661916.db2.gz TVOINOBGBUWNKO-HUUCEWRRSA-N 2 0 378.473 0.276 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000418841589 1192664170 /nfs/dbraw/zinc/66/41/70/1192664170.db2.gz GTUWDZHQBQXCFU-QAPCUYQASA-N 2 0 376.501 0.872 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418865361 1192669414 /nfs/dbraw/zinc/66/94/14/1192669414.db2.gz RPGTZTVGYYASIZ-GOSISDBHSA-N 2 0 388.512 0.734 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000418858759 1192670037 /nfs/dbraw/zinc/67/00/37/1192670037.db2.gz AQANVWLSXACBHW-RBUKOAKNSA-N 2 0 394.560 0.970 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418862331 1192671066 /nfs/dbraw/zinc/67/10/66/1192671066.db2.gz OCMZNYWXKWRURX-UHFFFAOYSA-N 2 0 389.544 0.554 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCCO1 ZINC000418879410 1192677819 /nfs/dbraw/zinc/67/78/19/1192677819.db2.gz NIFRGLRJXRGYEG-GOSISDBHSA-N 2 0 390.528 0.981 20 0 GCADRP C[C@]1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000418880477 1192677990 /nfs/dbraw/zinc/67/79/90/1192677990.db2.gz PJSAEZIAISAONB-NQIIRXRSSA-N 2 0 388.512 0.375 20 0 GCADRP C[C@@]1(CNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000418880479 1192678239 /nfs/dbraw/zinc/67/82/39/1192678239.db2.gz PJSAEZIAISAONB-WIYYLYMNSA-N 2 0 388.512 0.375 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCCO1 ZINC000418883608 1192679164 /nfs/dbraw/zinc/67/91/64/1192679164.db2.gz VGZZCEPLNQWPLB-FUHWJXTLSA-N 2 0 380.533 0.594 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418875657 1192675378 /nfs/dbraw/zinc/67/53/78/1192675378.db2.gz DRXGNLNWNHZEHW-ZYSHUDEJSA-N 2 0 388.512 0.503 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418876865 1192675926 /nfs/dbraw/zinc/67/59/26/1192675926.db2.gz HCZHOLILQUNMAS-QRVBRYPASA-N 2 0 394.560 0.984 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418876864 1192676276 /nfs/dbraw/zinc/67/62/76/1192676276.db2.gz HCZHOLILQUNMAS-GUDVDZBRSA-N 2 0 394.560 0.984 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000418929360 1192693767 /nfs/dbraw/zinc/69/37/67/1192693767.db2.gz FDCBMUBVHHWMJX-RTBURBONSA-N 2 0 388.512 0.762 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000418944039 1192696844 /nfs/dbraw/zinc/69/68/44/1192696844.db2.gz JKWUPQQBJRNPOI-QGZVFWFLSA-N 2 0 390.528 0.980 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418958489 1192700355 /nfs/dbraw/zinc/70/03/55/1192700355.db2.gz GHETXIDAALKVFM-NRFANRHFSA-N 2 0 388.512 0.975 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])c1ccco1 ZINC000418945578 1192698397 /nfs/dbraw/zinc/69/83/97/1192698397.db2.gz PZKZJYMNBZDRBK-OWCLPIDISA-N 2 0 380.489 0.743 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000418949944 1192699009 /nfs/dbraw/zinc/69/90/09/1192699009.db2.gz GBHHTIUECJSYPD-UHFFFAOYSA-N 2 0 389.500 0.240 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000418957547 1192699829 /nfs/dbraw/zinc/69/98/29/1192699829.db2.gz VADMLTURRDHXQJ-GOEBONIOSA-N 2 0 377.489 0.082 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418953170 1192700439 /nfs/dbraw/zinc/70/04/39/1192700439.db2.gz KZKDSKOTPWQUAJ-GDBMZVCRSA-N 2 0 377.489 0.367 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000418958588 1192700596 /nfs/dbraw/zinc/70/05/96/1192700596.db2.gz XPNFEBOVSBBWRN-OKZBNKHCSA-N 2 0 380.533 0.504 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418952732 1192700679 /nfs/dbraw/zinc/70/06/79/1192700679.db2.gz KJWUTWNWKWHIOL-KURKYZTESA-N 2 0 380.533 0.471 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]1C[NH3+] ZINC000418954568 1192701297 /nfs/dbraw/zinc/70/12/97/1192701297.db2.gz OILJLAYZIMNVAD-BGTYHANMSA-N 2 0 380.533 0.456 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCCC1 ZINC000418956943 1192701573 /nfs/dbraw/zinc/70/15/73/1192701573.db2.gz SZNXOGCPJOZPBT-IPMKNSEASA-N 2 0 394.560 0.894 20 0 GCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418959577 1192702724 /nfs/dbraw/zinc/70/27/24/1192702724.db2.gz HLBFZAQCILNANZ-HDICACEKSA-N 2 0 386.496 0.455 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418968407 1192705138 /nfs/dbraw/zinc/70/51/38/1192705138.db2.gz UHBZWHBBJPMTEU-AEFFLSMTSA-N 2 0 388.512 0.973 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000418995845 1192713130 /nfs/dbraw/zinc/71/31/30/1192713130.db2.gz JFIHJFPRYIFBHU-RBUKOAKNSA-N 2 0 394.560 0.970 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000419012759 1192717607 /nfs/dbraw/zinc/71/76/07/1192717607.db2.gz XMHYJMPZPJTRMA-KRWDZBQOSA-N 2 0 394.903 0.525 20 0 GCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000419011677 1192717875 /nfs/dbraw/zinc/71/78/75/1192717875.db2.gz STMJQHKFGCAAJE-UHFFFAOYSA-N 2 0 375.517 0.166 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419023519 1192725480 /nfs/dbraw/zinc/72/54/80/1192725480.db2.gz WEWYQPLDKFNJRA-UHFFFAOYSA-N 2 0 387.528 0.310 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419034610 1192733664 /nfs/dbraw/zinc/73/36/64/1192733664.db2.gz FXBJCNJGNBVPNU-MOPGFXCFSA-N 2 0 383.496 0.318 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H](C)C1 ZINC000419038203 1192735737 /nfs/dbraw/zinc/73/57/37/1192735737.db2.gz JIAJEAQUGQTHAR-NJAFHUGGSA-N 2 0 382.549 0.873 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H](C)C1 ZINC000419038207 1192735855 /nfs/dbraw/zinc/73/58/55/1192735855.db2.gz JIAJEAQUGQTHAR-SZMVWBNQSA-N 2 0 382.549 0.873 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419041456 1192739014 /nfs/dbraw/zinc/73/90/14/1192739014.db2.gz KBDKCXQJLICZBW-KRWDZBQOSA-N 2 0 382.549 0.886 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419051134 1192748821 /nfs/dbraw/zinc/74/88/21/1192748821.db2.gz AVMJMPAYKVTESR-CEXWTWQISA-N 2 0 388.512 0.508 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419065928 1192760441 /nfs/dbraw/zinc/76/04/41/1192760441.db2.gz ZZYWFIYZQNGLKB-KBAYOESNSA-N 2 0 376.501 0.493 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419065078 1192761342 /nfs/dbraw/zinc/76/13/42/1192761342.db2.gz YWKJKVFKZKWEFS-GUDVDZBRSA-N 2 0 388.512 0.493 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000419067857 1192763959 /nfs/dbraw/zinc/76/39/59/1192763959.db2.gz GYXLEOLHCVWEGY-CQSZACIVSA-N 2 0 381.908 0.432 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000237904478 1192770134 /nfs/dbraw/zinc/77/01/34/1192770134.db2.gz RUGXWIRVUFXECX-GOSISDBHSA-N 2 0 387.528 0.512 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000410626365 1192770756 /nfs/dbraw/zinc/77/07/56/1192770756.db2.gz ZEAHWXIQFKXEFG-YQVWRLOYSA-N 2 0 392.544 0.783 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098727 1192785723 /nfs/dbraw/zinc/78/57/23/1192785723.db2.gz HGSKJJLCZGVBRI-YOEHRIQHSA-N 2 0 380.439 0.737 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098726 1192785908 /nfs/dbraw/zinc/78/59/08/1192785908.db2.gz HGSKJJLCZGVBRI-WMLDXEAASA-N 2 0 380.439 0.737 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000500784241 1192787382 /nfs/dbraw/zinc/78/73/82/1192787382.db2.gz YNPIGAFIAYZDDU-DLBZAZTESA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000500784243 1192787667 /nfs/dbraw/zinc/78/76/67/1192787667.db2.gz YNPIGAFIAYZDDU-IAGOWNOFSA-N 2 0 379.549 0.071 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)[C@H](C[NH3+])C1 ZINC000419123912 1192795977 /nfs/dbraw/zinc/79/59/77/1192795977.db2.gz HJCLMVFSSBSJLE-RCCFBDPRSA-N 2 0 382.549 0.968 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419112332 1192799063 /nfs/dbraw/zinc/79/90/63/1192799063.db2.gz JXPDCFZYBRYHRK-WBVHZDCISA-N 2 0 388.516 0.178 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3([NH3+])CCCCC3)cn2)CC1 ZINC000419116747 1192802064 /nfs/dbraw/zinc/80/20/64/1192802064.db2.gz OWXPWUJHGDYRTE-UHFFFAOYSA-N 2 0 388.516 0.227 20 0 GCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419131562 1192805887 /nfs/dbraw/zinc/80/58/87/1192805887.db2.gz ALFMJVNBUDNZQC-MOPGFXCFSA-N 2 0 388.512 0.734 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCn1ccccc1=O ZINC000500811524 1192806440 /nfs/dbraw/zinc/80/64/40/1192806440.db2.gz XMCUIWXWYRHFKO-UHFFFAOYSA-N 2 0 384.484 0.755 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132082 1192806466 /nfs/dbraw/zinc/80/64/66/1192806466.db2.gz AUTIEKPNBYHNJJ-WIYYLYMNSA-N 2 0 388.512 0.591 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)(C)C ZINC000419131844 1192806486 /nfs/dbraw/zinc/80/64/86/1192806486.db2.gz HAFZNYWBPJTKFO-JKSUJKDBSA-N 2 0 393.536 0.383 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419133227 1192806763 /nfs/dbraw/zinc/80/67/63/1192806763.db2.gz FMTJYINWAGIROT-DOTOQJQBSA-N 2 0 376.501 0.877 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000419135504 1192806811 /nfs/dbraw/zinc/80/68/11/1192806811.db2.gz MYYRGAQMXYIYHC-UHFFFAOYSA-N 2 0 393.557 0.098 20 0 GCADRP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419132935 1192807111 /nfs/dbraw/zinc/80/71/11/1192807111.db2.gz CECWFXRHCWQBLJ-LJQANCHMSA-N 2 0 388.512 0.652 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419133228 1192807314 /nfs/dbraw/zinc/80/73/14/1192807314.db2.gz FMTJYINWAGIROT-NVXWUHKLSA-N 2 0 376.501 0.877 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419150528 1192810844 /nfs/dbraw/zinc/81/08/44/1192810844.db2.gz MHQBFRQMCZJGBJ-UHFFFAOYSA-N 2 0 376.501 0.749 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000419140054 1192812447 /nfs/dbraw/zinc/81/24/47/1192812447.db2.gz VKBLMIBFVVRVIJ-INIZCTEOSA-N 2 0 390.528 0.995 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000419142557 1192813329 /nfs/dbraw/zinc/81/33/29/1192813329.db2.gz YJCBZJSCDOPJPO-SFHVURJKSA-N 2 0 388.512 0.973 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000419158473 1192817067 /nfs/dbraw/zinc/81/70/67/1192817067.db2.gz XVWLNTQKLUZPKN-MRXNPFEDSA-N 2 0 376.501 0.701 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000419145772 1192814993 /nfs/dbraw/zinc/81/49/93/1192814993.db2.gz HTYFZOKWKOZMND-QGZVFWFLSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000419156663 1192816225 /nfs/dbraw/zinc/81/62/25/1192816225.db2.gz JTGABDFLVYJQEX-NVXWUHKLSA-N 2 0 388.516 0.035 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419159502 1192817216 /nfs/dbraw/zinc/81/72/16/1192817216.db2.gz ZJFUSPRVGMKWMR-QGZVFWFLSA-N 2 0 376.501 0.877 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419159459 1192817292 /nfs/dbraw/zinc/81/72/92/1192817292.db2.gz ZDPGMBYRNZVBJF-QGZVFWFLSA-N 2 0 392.500 0.113 20 0 GCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+]2CCCC2)cc1 ZINC000419157742 1192817333 /nfs/dbraw/zinc/81/73/33/1192817333.db2.gz LMQDGTBDUDXHSX-RBUKOAKNSA-N 2 0 388.512 0.743 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419159207 1192818576 /nfs/dbraw/zinc/81/85/76/1192818576.db2.gz FXUYYZFHTKCSHH-INIZCTEOSA-N 2 0 397.564 0.219 20 0 GCADRP CCCN(C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000419162573 1192820019 /nfs/dbraw/zinc/82/00/19/1192820019.db2.gz UWNFLQHLJSYKFK-KRWDZBQOSA-N 2 0 388.516 0.050 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCC(C)CC1 ZINC000419162031 1192821029 /nfs/dbraw/zinc/82/10/29/1192821029.db2.gz SWGJZPBXBPYSCU-IAGOWNOFSA-N 2 0 395.548 0.069 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161877 1192821042 /nfs/dbraw/zinc/82/10/42/1192821042.db2.gz FLYOSSSQSQOQRU-BHIYHBOVSA-N 2 0 388.512 0.650 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419162256 1192821157 /nfs/dbraw/zinc/82/11/57/1192821157.db2.gz UBIADHAWSLPEJL-WBVHZDCISA-N 2 0 388.516 0.178 20 0 GCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419166955 1192823657 /nfs/dbraw/zinc/82/36/57/1192823657.db2.gz IFMGXXTWNLIYFP-SLFFLAALSA-N 2 0 384.524 0.735 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419167284 1192823668 /nfs/dbraw/zinc/82/36/68/1192823668.db2.gz QKJRVEMHRKLNBB-MOPGFXCFSA-N 2 0 388.512 0.462 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCC(C)CC1 ZINC000419156077 1192824925 /nfs/dbraw/zinc/82/49/25/1192824925.db2.gz JDWWCAOQHZNGOY-DOTOQJQBSA-N 2 0 391.520 0.137 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419172297 1192825860 /nfs/dbraw/zinc/82/58/60/1192825860.db2.gz YWVNAYOBWTZETP-RTBURBONSA-N 2 0 390.528 0.883 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197621 1192831363 /nfs/dbraw/zinc/83/13/63/1192831363.db2.gz BSDKDCSYONUKGZ-RHSMWYFYSA-N 2 0 392.500 0.472 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000419196040 1192832959 /nfs/dbraw/zinc/83/29/59/1192832959.db2.gz ALVHXIDANCICLC-DOTOQJQBSA-N 2 0 376.501 0.687 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419184078 1192835487 /nfs/dbraw/zinc/83/54/87/1192835487.db2.gz FNUBVJDJLCSIGF-INIZCTEOSA-N 2 0 376.501 0.457 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419198323 1192836467 /nfs/dbraw/zinc/83/64/67/1192836467.db2.gz CDRNZYJUGUASHA-BZUAXINKSA-N 2 0 376.501 0.623 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419197733 1192837905 /nfs/dbraw/zinc/83/79/05/1192837905.db2.gz CAMZGXQPCWDPPB-FCEWJHQRSA-N 2 0 388.512 0.862 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419198978 1192838535 /nfs/dbraw/zinc/83/85/35/1192838535.db2.gz DDHVVMBLURSULA-WMLDXEAASA-N 2 0 392.500 0.472 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc2)C[C@H](C)O1 ZINC000419199031 1192839064 /nfs/dbraw/zinc/83/90/64/1192839064.db2.gz DJMORSQANGPBNR-GJZGRUSLSA-N 2 0 376.501 0.766 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000419200445 1192839445 /nfs/dbraw/zinc/83/94/45/1192839445.db2.gz FICCEHSMLVAZNX-INIZCTEOSA-N 2 0 376.501 0.831 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000419200407 1192840807 /nfs/dbraw/zinc/84/08/07/1192840807.db2.gz FGQYGOWWEVWSRK-IRXDYDNUSA-N 2 0 388.512 0.734 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000419203910 1192849876 /nfs/dbraw/zinc/84/98/76/1192849876.db2.gz OLGSCFGXWTZMEG-AEFFLSMTSA-N 2 0 376.501 0.589 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000419204120 1192846943 /nfs/dbraw/zinc/84/69/43/1192846943.db2.gz IEMYFTMKCNNPGL-WDSOQIARSA-N 2 0 388.512 0.829 20 0 GCADRP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@H+](C)CC1 ZINC000893740871 1192847683 /nfs/dbraw/zinc/84/76/83/1192847683.db2.gz MHPIDIATJWGCES-RTBURBONSA-N 2 0 381.565 0.643 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC3([NH3+])CCCCC3)ccn2)CC1 ZINC000419205148 1192854901 /nfs/dbraw/zinc/85/49/01/1192854901.db2.gz KJJNCUGBBMQZCZ-UHFFFAOYSA-N 2 0 388.516 0.227 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419204724 1192857901 /nfs/dbraw/zinc/85/79/01/1192857901.db2.gz JCHULCBXGXBWBO-IAGOWNOFSA-N 2 0 390.528 0.980 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549798484 1192884341 /nfs/dbraw/zinc/88/43/41/1192884341.db2.gz PONAVSGQWCGSPB-CVEARBPZSA-N 2 0 380.533 0.687 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419209940 1192894955 /nfs/dbraw/zinc/89/49/55/1192894955.db2.gz UIKUICTXESHIHX-MRXNPFEDSA-N 2 0 376.505 0.083 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419213495 1192901716 /nfs/dbraw/zinc/90/17/16/1192901716.db2.gz LJPIVFMTFPOEDK-OAGGEKHMSA-N 2 0 376.501 0.766 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000410842028 1192907584 /nfs/dbraw/zinc/90/75/84/1192907584.db2.gz JOEOXTZAGRYPDR-GOSISDBHSA-N 2 0 382.549 0.935 20 0 GCADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512584410 1192911570 /nfs/dbraw/zinc/91/15/70/1192911570.db2.gz XYJAGVOFZNUGMU-RTBURBONSA-N 2 0 383.581 0.939 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410897770 1192914614 /nfs/dbraw/zinc/91/46/14/1192914614.db2.gz DQTQVPLGCNLLTR-SFHVURJKSA-N 2 0 382.549 0.748 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419217809 1192916507 /nfs/dbraw/zinc/91/65/07/1192916507.db2.gz REWGSTUDZUFDIX-DOTOQJQBSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000419220174 1192921244 /nfs/dbraw/zinc/92/12/44/1192921244.db2.gz URUPATJOHZHNMD-GPMSIDNRSA-N 2 0 388.512 0.862 20 0 GCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579691376 1184089929 /nfs/dbraw/zinc/08/99/29/1184089929.db2.gz OQJKMYKGYXEAOS-FQEVSTJZSA-N 2 0 399.539 0.898 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000274557694 1184098583 /nfs/dbraw/zinc/09/85/83/1184098583.db2.gz ZICONMXFFSWJGY-INIZCTEOSA-N 2 0 397.545 0.478 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000579714607 1184103066 /nfs/dbraw/zinc/10/30/66/1184103066.db2.gz HBKPYJQSKAUMAO-CABCVRRESA-N 2 0 380.514 0.984 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000579714611 1184103441 /nfs/dbraw/zinc/10/34/41/1184103441.db2.gz HBKPYJQSKAUMAO-LSDHHAIUSA-N 2 0 380.514 0.984 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274634270 1184132059 /nfs/dbraw/zinc/13/20/59/1184132059.db2.gz IQVTZLSAAIMORQ-UHFFFAOYSA-N 3 0 378.521 0.207 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418559469 1184215147 /nfs/dbraw/zinc/21/51/47/1184215147.db2.gz CLXBQZDGFJGJPG-KURKYZTESA-N 2 0 375.517 0.845 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418835843 1184258829 /nfs/dbraw/zinc/25/88/29/1184258829.db2.gz QCKFFYRNGFLIDA-JYJNAYRXSA-N 2 0 392.500 0.809 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418835848 1184259306 /nfs/dbraw/zinc/25/93/06/1184259306.db2.gz QCKFFYRNGFLIDA-PMPSAXMXSA-N 2 0 392.500 0.809 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000643591616 1184283880 /nfs/dbraw/zinc/28/38/80/1184283880.db2.gz UPYUJBDWSCASDU-MKXGPGLRSA-N 2 0 391.560 0.356 20 0 GCADRP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000610216377 1184293795 /nfs/dbraw/zinc/29/37/95/1184293795.db2.gz AQIHOVHJEBBXRD-CQSZACIVSA-N 2 0 395.548 0.779 20 0 GCADRP CC(C)[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCN(C)CC1 ZINC000109166232 1184331162 /nfs/dbraw/zinc/33/11/62/1184331162.db2.gz UNHYPDYNKLGBRR-MOPGFXCFSA-N 2 0 383.581 0.650 20 0 GCADRP CCCN1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c2C1 ZINC000579854434 1184341560 /nfs/dbraw/zinc/34/15/60/1184341560.db2.gz YXCGCTYBCOOBEJ-GOEBONIOSA-N 2 0 385.468 0.121 20 0 GCADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471235111 1184491322 /nfs/dbraw/zinc/49/13/22/1184491322.db2.gz NRGIQCHSOGUZIZ-OAHLLOKOSA-N 2 0 389.500 0.530 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419171791 1184572072 /nfs/dbraw/zinc/57/20/72/1184572072.db2.gz YFYYHOPCOBYFFD-CEXWTWQISA-N 2 0 388.512 0.780 20 0 GCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000655557263 1184573650 /nfs/dbraw/zinc/57/36/50/1184573650.db2.gz UATBXRLEXYWPOU-ICSRJNTNSA-N 2 0 379.549 0.520 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1NC(=O)CC[NH+](C)C ZINC000275373829 1184638822 /nfs/dbraw/zinc/63/88/22/1184638822.db2.gz BEGYGQPUJJISMD-UHFFFAOYSA-N 2 0 377.489 0.844 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000275380232 1184644151 /nfs/dbraw/zinc/64/41/51/1184644151.db2.gz ASVUZVKYNNLJHP-KRWDZBQOSA-N 2 0 389.500 0.185 20 0 GCADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000275407562 1184655903 /nfs/dbraw/zinc/65/59/03/1184655903.db2.gz CLZXFJKKDLPIJO-JXFKEZNVSA-N 2 0 375.517 0.982 20 0 GCADRP CC(C)CNC(=O)C1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000890898321 1184750912 /nfs/dbraw/zinc/75/09/12/1184750912.db2.gz RTSVROKJGCFZIR-IBGZPJMESA-N 2 0 396.576 0.944 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733569 1184819039 /nfs/dbraw/zinc/81/90/39/1184819039.db2.gz XAXOGECLKCKHLY-IBGZPJMESA-N 2 0 387.528 0.351 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000579980256 1184877452 /nfs/dbraw/zinc/87/74/52/1184877452.db2.gz QQJZHQXXRXHUFQ-IRXDYDNUSA-N 2 0 395.548 0.069 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000655974153 1184909800 /nfs/dbraw/zinc/90/98/00/1184909800.db2.gz NGQNQVONOMGDHV-KURKYZTESA-N 2 0 377.533 0.857 20 0 GCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)nn1 ZINC000656029037 1184964651 /nfs/dbraw/zinc/96/46/51/1184964651.db2.gz URYUWVKHDWOGCK-BRWVUGGUSA-N 2 0 389.504 0.033 20 0 GCADRP Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001707878491 1184967932 /nfs/dbraw/zinc/96/79/32/1184967932.db2.gz KEFYAXNDFHEDFC-QGZVFWFLSA-N 2 0 398.515 0.505 20 0 GCADRP COc1ccc([C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1OC ZINC000580052052 1185034585 /nfs/dbraw/zinc/03/45/85/1185034585.db2.gz BBXVKZNTTMXURV-OAHLLOKOSA-N 2 0 393.488 0.038 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580173954 1185104395 /nfs/dbraw/zinc/10/43/95/1185104395.db2.gz DNNVOUQQHKMSIL-RTBURBONSA-N 2 0 389.544 0.581 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580172930 1185104438 /nfs/dbraw/zinc/10/44/38/1185104438.db2.gz MQMONIICODGBLH-MOPGFXCFSA-N 2 0 375.517 0.480 20 0 GCADRP O=C(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000580184558 1185109870 /nfs/dbraw/zinc/10/98/70/1185109870.db2.gz HHDIHEAOYGUJBA-VNTMZGSJSA-N 2 0 382.508 0.787 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000580221846 1185121935 /nfs/dbraw/zinc/12/19/35/1185121935.db2.gz RKCDAPSTNKQKCS-IAGOWNOFSA-N 2 0 382.549 0.698 20 0 GCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580241388 1185127486 /nfs/dbraw/zinc/12/74/86/1185127486.db2.gz NHUMPBTYPVJICU-LJQANCHMSA-N 2 0 390.528 0.804 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308083 1185148502 /nfs/dbraw/zinc/14/85/02/1185148502.db2.gz SBPBCZLWUZQZDR-OALUTQOASA-N 2 0 387.528 0.350 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308084 1185148596 /nfs/dbraw/zinc/14/85/96/1185148596.db2.gz SBPBCZLWUZQZDR-RBUKOAKNSA-N 2 0 387.528 0.350 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000275818903 1185149891 /nfs/dbraw/zinc/14/98/91/1185149891.db2.gz FJRMVVWCNDEHOG-QGZVFWFLSA-N 2 0 389.500 0.599 20 0 GCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000275821796 1185153942 /nfs/dbraw/zinc/15/39/42/1185153942.db2.gz CITIRXCQIXFKHV-UHFFFAOYSA-N 2 0 380.489 0.616 20 0 GCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000275860942 1185189481 /nfs/dbraw/zinc/18/94/81/1185189481.db2.gz IRGWBXSQMWWRJM-UHFFFAOYSA-N 2 0 394.541 0.916 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC000580366593 1185204325 /nfs/dbraw/zinc/20/43/25/1185204325.db2.gz IXVXPMDBCGKEOE-RTBURBONSA-N 2 0 393.576 0.461 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC(=O)N3CC[NH2+]CC3)c(C)c2)CC1 ZINC000556947527 1185216181 /nfs/dbraw/zinc/21/61/81/1185216181.db2.gz VHMBYJUUPFXIKV-UHFFFAOYSA-N 2 0 388.516 0.690 20 0 GCADRP O=C(NCCN1CCN(c2ncccn2)CC1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000580631492 1185292877 /nfs/dbraw/zinc/29/28/77/1185292877.db2.gz AKHWKWMXBISESH-IBGZPJMESA-N 2 0 395.511 0.785 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000580644299 1185296291 /nfs/dbraw/zinc/29/62/91/1185296291.db2.gz OBBDZLXEGZUFAA-JYJNAYRXSA-N 2 0 391.520 0.707 20 0 GCADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000580709551 1185310430 /nfs/dbraw/zinc/31/04/30/1185310430.db2.gz FNPWCOIOMMMRGW-GOSISDBHSA-N 2 0 397.585 0.956 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656284846 1185321133 /nfs/dbraw/zinc/32/11/33/1185321133.db2.gz AHQUAVRGIVHVRA-KZNAEPCWSA-N 2 0 380.533 0.593 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580763972 1185348522 /nfs/dbraw/zinc/34/85/22/1185348522.db2.gz IMVUTUJSXDSWOM-CYBMUJFWSA-N 2 0 377.464 0.233 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580763973 1185349163 /nfs/dbraw/zinc/34/91/63/1185349163.db2.gz IMVUTUJSXDSWOM-ZDUSSCGKSA-N 2 0 377.464 0.233 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656293610 1185352575 /nfs/dbraw/zinc/35/25/75/1185352575.db2.gz KZVOOJZMDNCZDA-ZWKOTPCHSA-N 2 0 379.549 0.262 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000580830965 1185390080 /nfs/dbraw/zinc/39/00/80/1185390080.db2.gz WMNHGTRPMIQIAQ-NVXWUHKLSA-N 2 0 387.484 0.191 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656314639 1185396507 /nfs/dbraw/zinc/39/65/07/1185396507.db2.gz ADDRAEUOHGRXHH-WNRNVDISSA-N 2 0 382.549 0.981 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400798 /nfs/dbraw/zinc/40/07/98/1185400798.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 2 0 391.560 0.404 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000580882351 1185403554 /nfs/dbraw/zinc/40/35/54/1185403554.db2.gz VADDNDULYJZHRB-QGZVFWFLSA-N 2 0 375.517 0.862 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580958229 1185447580 /nfs/dbraw/zinc/44/75/80/1185447580.db2.gz XYRSDPRJWQZFPM-UXHICEINSA-N 2 0 382.512 0.307 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000580966298 1185451664 /nfs/dbraw/zinc/45/16/64/1185451664.db2.gz PRSSWDVGDXPLRJ-IBGZPJMESA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356458 1185457328 /nfs/dbraw/zinc/45/73/28/1185457328.db2.gz DMTIKFPNOMEVQD-QRQLOZEOSA-N 2 0 392.544 0.831 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C[C@H]2[NH3+])cn1 ZINC000581006856 1185468078 /nfs/dbraw/zinc/46/80/78/1185468078.db2.gz SRZLTQSTRUKIBN-ZWKOTPCHSA-N 2 0 388.516 0.150 20 0 GCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152429 1185504200 /nfs/dbraw/zinc/50/42/00/1185504200.db2.gz DITWWIKPHURCRX-SFHVURJKSA-N 3 0 395.592 0.707 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133160 1185509488 /nfs/dbraw/zinc/50/94/88/1185509488.db2.gz ZDEHFEBDGNRYBH-MSOLQXFVSA-N 3 0 375.517 0.192 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000581183035 1185525885 /nfs/dbraw/zinc/52/58/85/1185525885.db2.gz NWNPDQVSRGAGBS-XFKAJCMBSA-N 2 0 378.517 0.079 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000581240983 1185550345 /nfs/dbraw/zinc/55/03/45/1185550345.db2.gz NPDQQTLKGQSSHM-RBUKOAKNSA-N 2 0 387.528 0.938 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1OC ZINC000276084300 1185556820 /nfs/dbraw/zinc/55/68/20/1185556820.db2.gz USXGDOYHZIFSDL-CQSZACIVSA-N 2 0 378.477 0.298 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccccc1 ZINC000581261339 1185560978 /nfs/dbraw/zinc/56/09/78/1185560978.db2.gz KBIXXUKOBXASCT-OTWHNJEPSA-N 2 0 387.528 0.893 20 0 GCADRP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430554773 1185583785 /nfs/dbraw/zinc/58/37/85/1185583785.db2.gz RJGKQIWUJSTRST-INIZCTEOSA-N 2 0 392.500 0.782 20 0 GCADRP CCc1nc(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)no1 ZINC001104345589 1185611861 /nfs/dbraw/zinc/61/18/61/1185611861.db2.gz JKARIYAJLAUXLE-KLHDSHLOSA-N 2 0 379.505 0.925 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000471648980 1185647353 /nfs/dbraw/zinc/64/73/53/1185647353.db2.gz WXRITBBXQBWAAV-RTBURBONSA-N 2 0 378.517 0.747 20 0 GCADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891389262 1185674190 /nfs/dbraw/zinc/67/41/90/1185674190.db2.gz XSMXJJZYXDEFFM-ZACQAIPSSA-N 2 0 377.489 0.437 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430598345 1185677310 /nfs/dbraw/zinc/67/73/10/1185677310.db2.gz CTROUHJSVSBUIS-MSOLQXFVSA-N 2 0 387.528 0.511 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000072067274 1185699214 /nfs/dbraw/zinc/69/92/14/1185699214.db2.gz PZTZCJCUKPURAD-MRXNPFEDSA-N 2 0 382.530 0.822 20 0 GCADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606006 1185700198 /nfs/dbraw/zinc/70/01/98/1185700198.db2.gz VEVDTSRTINSEKG-GOEBONIOSA-N 2 0 394.491 0.968 20 0 GCADRP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608045 1185723866 /nfs/dbraw/zinc/72/38/66/1185723866.db2.gz DIMGHDNVDFXABI-QGZVFWFLSA-N 2 0 376.501 0.701 20 0 GCADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607461 1185731283 /nfs/dbraw/zinc/73/12/83/1185731283.db2.gz CFXJUAFYDBKLIT-JKSUJKDBSA-N 2 0 393.532 0.677 20 0 GCADRP O=C([C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1)N1CC[NH2+]CC1 ZINC000430608748 1185738077 /nfs/dbraw/zinc/73/80/77/1185738077.db2.gz FZDAFOJWUGUQDF-CQSZACIVSA-N 2 0 389.887 0.992 20 0 GCADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609593 1185752541 /nfs/dbraw/zinc/75/25/41/1185752541.db2.gz HQJLIQNYECLHTO-QWHCGFSZSA-N 2 0 379.436 0.649 20 0 GCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000581562351 1185763556 /nfs/dbraw/zinc/76/35/56/1185763556.db2.gz JIFRXBJSESQGKJ-UHFFFAOYSA-N 2 0 376.501 0.797 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)O1 ZINC001022017642 1185770935 /nfs/dbraw/zinc/77/09/35/1185770935.db2.gz OBHVPMCUDNRYNQ-BZZMCLGOSA-N 2 0 378.517 0.107 20 0 GCADRP C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC000430622038 1185797796 /nfs/dbraw/zinc/79/77/96/1185797796.db2.gz FCVNLUGSPPSCHU-UHFFFAOYSA-N 2 0 391.491 0.228 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000430621792 1185797854 /nfs/dbraw/zinc/79/78/54/1185797854.db2.gz KEMQXTVIWPNIOB-GJZGRUSLSA-N 2 0 390.450 0.931 20 0 GCADRP CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430622574 1185801088 /nfs/dbraw/zinc/80/10/88/1185801088.db2.gz FPQVNOFTFTZOAL-QGZVFWFLSA-N 2 0 376.501 0.879 20 0 GCADRP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623192 1185805570 /nfs/dbraw/zinc/80/55/70/1185805570.db2.gz HEWJXBWFEPAMSX-IAGOWNOFSA-N 2 0 376.501 0.665 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430625430 1185809901 /nfs/dbraw/zinc/80/99/01/1185809901.db2.gz JHYRZEIFXDRFNW-AWEZNQCLSA-N 2 0 384.427 0.691 20 0 GCADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430625927 1185810334 /nfs/dbraw/zinc/81/03/34/1185810334.db2.gz KEXSRURXOJRDHW-HOCLYGCPSA-N 2 0 375.473 0.188 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cc(F)cc(F)c1 ZINC000430626618 1185811035 /nfs/dbraw/zinc/81/10/35/1185811035.db2.gz RTBPEAIKRLMXFM-OAHLLOKOSA-N 2 0 380.439 0.725 20 0 GCADRP CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430628677 1185815212 /nfs/dbraw/zinc/81/52/12/1185815212.db2.gz PAZLMFMFIKVMHA-KRWDZBQOSA-N 2 0 376.501 0.879 20 0 GCADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633003 1185822420 /nfs/dbraw/zinc/82/24/20/1185822420.db2.gz ZTPLXYKSEWZCHR-OWCLPIDISA-N 2 0 390.484 0.118 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891445296 1185825407 /nfs/dbraw/zinc/82/54/07/1185825407.db2.gz KWMMWIHQQICPOS-OAHLLOKOSA-N 2 0 382.459 0.877 20 0 GCADRP COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430637052 1185831392 /nfs/dbraw/zinc/83/13/92/1185831392.db2.gz APLNYFHSVXHAHH-MRXNPFEDSA-N 2 0 392.500 0.149 20 0 GCADRP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637592 1185839599 /nfs/dbraw/zinc/83/95/99/1185839599.db2.gz CSCQXPFLKFFHPC-HOTGVXAUSA-N 2 0 378.542 0.939 20 0 GCADRP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000430640704 1185843976 /nfs/dbraw/zinc/84/39/76/1185843976.db2.gz HQZKQNBBMUCWGA-HNNXBMFYSA-N 2 0 375.473 0.738 20 0 GCADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000581690413 1185848227 /nfs/dbraw/zinc/84/82/27/1185848227.db2.gz INHYDQRHLPGASB-UHFFFAOYSA-N 2 0 397.564 0.139 20 0 GCADRP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430648126 1185865565 /nfs/dbraw/zinc/86/55/65/1185865565.db2.gz YZQIPURJVQLUOI-KGLIPLIRSA-N 2 0 382.455 0.799 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891493729 1185892832 /nfs/dbraw/zinc/89/28/32/1185892832.db2.gz ZQVFTGJZIKKTBS-BBWFWOEESA-N 2 0 395.504 0.064 20 0 GCADRP CN1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H](C[NH3+])C1 ZINC000581777202 1185896770 /nfs/dbraw/zinc/89/67/70/1185896770.db2.gz KEGWYAQGSQAWHR-KRWDZBQOSA-N 2 0 375.517 0.944 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430658397 1185899909 /nfs/dbraw/zinc/89/99/09/1185899909.db2.gz XKJASKGXNHGVAJ-ROUUACIJSA-N 2 0 387.528 0.416 20 0 GCADRP CCN(C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[NH2+]C1 ZINC000891512127 1185900746 /nfs/dbraw/zinc/90/07/46/1185900746.db2.gz INDKEJZQSIPQPJ-KRWDZBQOSA-N 2 0 375.521 0.772 20 0 GCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891519411 1185903232 /nfs/dbraw/zinc/90/32/32/1185903232.db2.gz XSOJANOQMQNVIZ-HZMVEIRTSA-N 2 0 379.505 0.683 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891578909 1185925015 /nfs/dbraw/zinc/92/50/15/1185925015.db2.gz COFAWAPZNNRCSR-TWMKSMIVSA-N 2 0 379.505 0.827 20 0 GCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000891576774 1185925150 /nfs/dbraw/zinc/92/51/50/1185925150.db2.gz UFGROMSYIWTAIJ-FUHWJXTLSA-N 2 0 380.533 0.945 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419891210 1185977212 /nfs/dbraw/zinc/97/72/12/1185977212.db2.gz IIXHZFJKFIFMBI-ZWKOTPCHSA-N 2 0 382.549 0.970 20 0 GCADRP CN1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[N@H+](C)CC1 ZINC000891714863 1185993629 /nfs/dbraw/zinc/99/36/29/1185993629.db2.gz YDNKFJBRJCCHRP-UHFFFAOYSA-N 2 0 389.548 0.222 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)ccn1 ZINC000891726092 1185996028 /nfs/dbraw/zinc/99/60/28/1185996028.db2.gz JMVHNHNQEPJPKY-KRWDZBQOSA-N 2 0 391.516 0.980 20 0 GCADRP Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)nnn1C1CC[NH2+]CC1 ZINC000430873754 1186044786 /nfs/dbraw/zinc/04/47/86/1186044786.db2.gz WODYUYRGPKHAED-INIZCTEOSA-N 2 0 391.520 0.184 20 0 GCADRP C[NH2+]CC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430923783 1186054833 /nfs/dbraw/zinc/05/48/33/1186054833.db2.gz GPKSZMKDHIWEEC-UHFFFAOYSA-N 2 0 382.530 0.314 20 0 GCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000430936701 1186057259 /nfs/dbraw/zinc/05/72/59/1186057259.db2.gz WACFUWXEKPXOGD-INIZCTEOSA-N 2 0 394.541 0.579 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430952225 1186065820 /nfs/dbraw/zinc/06/58/20/1186065820.db2.gz YBIZHBOCTMERPW-CQSZACIVSA-N 2 0 382.530 0.442 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCO1 ZINC000891854052 1186093983 /nfs/dbraw/zinc/09/39/83/1186093983.db2.gz ADKZPGOLDJCAPZ-HZMVEIRTSA-N 2 0 395.504 0.064 20 0 GCADRP Cc1c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)nnn1C1CC[NH2+]CC1 ZINC000431012373 1186099643 /nfs/dbraw/zinc/09/96/43/1186099643.db2.gz AYGKVUAOPNTNHQ-UHFFFAOYSA-N 2 0 398.515 0.588 20 0 GCADRP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431011002 1186099733 /nfs/dbraw/zinc/09/97/33/1186099733.db2.gz AMXDWYMXFOBUBW-UHFFFAOYSA-N 2 0 380.514 0.951 20 0 GCADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431028453 1186107058 /nfs/dbraw/zinc/10/70/58/1186107058.db2.gz QUFLNCYOUMTXLQ-HNNXBMFYSA-N 2 0 394.541 0.457 20 0 GCADRP Cc1c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000431061523 1186116201 /nfs/dbraw/zinc/11/62/01/1186116201.db2.gz LAVRRYSMDSQRIT-UHFFFAOYSA-N 2 0 377.537 0.514 20 0 GCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000582001016 1186178667 /nfs/dbraw/zinc/17/86/67/1186178667.db2.gz RBYQZPSMGMRQLU-IBGZPJMESA-N 2 0 388.512 0.518 20 0 GCADRP NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000182962359 1186245880 /nfs/dbraw/zinc/24/58/80/1186245880.db2.gz FQTAESLXMDJSNL-GOSISDBHSA-N 2 0 380.533 0.535 20 0 GCADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000892007922 1186305873 /nfs/dbraw/zinc/30/58/73/1186305873.db2.gz COEVSJYGEVUDMF-RBUKOAKNSA-N 2 0 381.565 0.990 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892041376 1186319034 /nfs/dbraw/zinc/31/90/34/1186319034.db2.gz STYVLGRSTGTQSJ-ZACQAIPSSA-N 2 0 379.505 0.875 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000892106226 1186344321 /nfs/dbraw/zinc/34/43/21/1186344321.db2.gz BMIIXKBQXZMOGN-OUAUKWLOSA-N 2 0 391.360 0.601 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892105934 1186344559 /nfs/dbraw/zinc/34/45/59/1186344559.db2.gz AAVOLPAFUYFFKA-UONOGXRCSA-N 2 0 393.454 0.280 20 0 GCADRP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000892107504 1186345454 /nfs/dbraw/zinc/34/54/54/1186345454.db2.gz GWOJLIPXNGUZTQ-INIZCTEOSA-N 2 0 385.434 0.968 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000157198275 1186351002 /nfs/dbraw/zinc/35/10/02/1186351002.db2.gz STFSEOVUNUZPPS-QGZVFWFLSA-N 2 0 376.501 0.693 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1C(F)(F)F ZINC000892132664 1186363938 /nfs/dbraw/zinc/36/39/38/1186363938.db2.gz QXLULFXXRFERPA-VXGQWTEUSA-N 2 0 377.455 0.981 20 0 GCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000582017265 1186372632 /nfs/dbraw/zinc/37/26/32/1186372632.db2.gz ISYKSDBHISFYKB-SFHVURJKSA-N 2 0 395.592 0.757 20 0 GCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892187834 1186419610 /nfs/dbraw/zinc/41/96/10/1186419610.db2.gz NJLZWAITSYOGBB-HCXYKTFWSA-N 2 0 379.549 0.470 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)N1CC[NH+](C)CC1 ZINC000559611488 1186453766 /nfs/dbraw/zinc/45/37/66/1186453766.db2.gz CXLYZUYADCDYAP-GOSISDBHSA-N 2 0 393.576 0.461 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000582256240 1186476862 /nfs/dbraw/zinc/47/68/62/1186476862.db2.gz KCKFZCPLHZQPTQ-RBUKOAKNSA-N 2 0 395.592 0.613 20 0 GCADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000582252537 1186478149 /nfs/dbraw/zinc/47/81/49/1186478149.db2.gz KFBVXPMNEPSPKQ-QZTJIDSGSA-N 2 0 385.512 0.995 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000582315901 1186492824 /nfs/dbraw/zinc/49/28/24/1186492824.db2.gz NNHITOURUSDOLL-OALUTQOASA-N 3 0 391.560 0.404 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582360840 1186503599 /nfs/dbraw/zinc/50/35/99/1186503599.db2.gz UGINYCKWRGDATH-IAGOWNOFSA-N 2 0 394.541 0.314 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC001022723336 1186509530 /nfs/dbraw/zinc/50/95/30/1186509530.db2.gz QNTXDUSUYNBYEH-XMTFNYHQSA-N 2 0 392.544 0.497 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000125160097 1186544920 /nfs/dbraw/zinc/54/49/20/1186544920.db2.gz UNAQQCTWNOZATK-SFHVURJKSA-N 2 0 386.500 0.672 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[C@H](C[NH3+])C1 ZINC000582600496 1186581173 /nfs/dbraw/zinc/58/11/73/1186581173.db2.gz TVGJGZSMCOABEC-DENIHFKCSA-N 2 0 399.539 0.212 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000125413023 1186587362 /nfs/dbraw/zinc/58/73/62/1186587362.db2.gz UHLFFOSXRIOLCV-HZPDHXFCSA-N 2 0 378.521 0.867 20 0 GCADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000892285376 1186620556 /nfs/dbraw/zinc/62/05/56/1186620556.db2.gz UGLCMURDTYKJAJ-OAHLLOKOSA-N 2 0 385.472 0.516 20 0 GCADRP C[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000074656102 1186626043 /nfs/dbraw/zinc/62/60/43/1186626043.db2.gz XGPXVQPVCNSTEV-RBUKOAKNSA-N 2 0 380.581 0.291 20 0 GCADRP C[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000074656110 1186626342 /nfs/dbraw/zinc/62/63/42/1186626342.db2.gz XGPXVQPVCNSTEV-OALUTQOASA-N 2 0 380.581 0.291 20 0 GCADRP C[NH+](C)[C@H]1CCCN(c2nc(NC3CC3)nc(N3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000892288515 1186627465 /nfs/dbraw/zinc/62/74/65/1186627465.db2.gz QVFODISUGINURD-IRXDYDNUSA-N 2 0 388.564 0.929 20 0 GCADRP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1CCOC ZINC000582740177 1186648855 /nfs/dbraw/zinc/64/88/55/1186648855.db2.gz HZUYDZPAAZTTGJ-WMZOPIPTSA-N 2 0 380.533 0.546 20 0 GCADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)cc2)CC1 ZINC000582788648 1186673687 /nfs/dbraw/zinc/67/36/87/1186673687.db2.gz KGVDWDCPOXPPPM-FQEVSTJZSA-N 2 0 397.527 0.962 20 0 GCADRP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642921699 1186684651 /nfs/dbraw/zinc/68/46/51/1186684651.db2.gz RQRXLNHLWSMTBA-MOPGFXCFSA-N 2 0 387.528 0.430 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC000582986290 1186742078 /nfs/dbraw/zinc/74/20/78/1186742078.db2.gz OITMGISARJBNGY-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000583019013 1186748721 /nfs/dbraw/zinc/74/87/21/1186748721.db2.gz XAXHGXUARBHXSU-MSOLQXFVSA-N 2 0 379.549 0.202 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000583031234 1186752634 /nfs/dbraw/zinc/75/26/34/1186752634.db2.gz YIALWUAPEJDYEX-UHFFFAOYSA-N 2 0 376.501 0.831 20 0 GCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126163373 1186760269 /nfs/dbraw/zinc/76/02/69/1186760269.db2.gz KRGPAXNYJASPPG-OWCLPIDISA-N 2 0 378.521 0.866 20 0 GCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126163817 1186761089 /nfs/dbraw/zinc/76/10/89/1186761089.db2.gz KRGPAXNYJASPPG-BZUAXINKSA-N 2 0 378.521 0.866 20 0 GCADRP C[C@@H](CNC(=O)NCC1(N2CCOCC2)CCOCC1)CN1CCOCC1 ZINC000458420996 1186790813 /nfs/dbraw/zinc/79/08/13/1186790813.db2.gz PXGNBNCWEZYFCG-KRWDZBQOSA-N 2 0 384.521 0.135 20 0 GCADRP C[C@H](C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)S(C)(=O)=O ZINC000583199440 1186793739 /nfs/dbraw/zinc/79/37/39/1186793739.db2.gz OUZKYVGDETULAR-CABCVRRESA-N 2 0 383.518 0.305 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CCN2C1=O ZINC000569623793 1186797566 /nfs/dbraw/zinc/79/75/66/1186797566.db2.gz TVKJLNFEBQANPC-ZNMIVQPWSA-N 2 0 377.514 0.838 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000124590317 1186798949 /nfs/dbraw/zinc/79/89/49/1186798949.db2.gz OTDAKDYULOXHOT-MRXNPFEDSA-N 2 0 391.516 0.507 20 0 GCADRP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1S(N)(=O)=O ZINC000563622419 1186820584 /nfs/dbraw/zinc/82/05/84/1186820584.db2.gz HAXTTYAJOYFXNM-GJZGRUSLSA-N 2 0 380.514 0.902 20 0 GCADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155669202 1186821880 /nfs/dbraw/zinc/82/18/80/1186821880.db2.gz IRMMSPKMFVBZJK-ZDUSSCGKSA-N 2 0 379.427 0.476 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000458562818 1186872261 /nfs/dbraw/zinc/87/22/61/1186872261.db2.gz YLIALROZAZGRGB-IPMKNSEASA-N 2 0 382.549 0.900 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)C[C@@H](C)O1 ZINC000583558918 1186885825 /nfs/dbraw/zinc/88/58/25/1186885825.db2.gz VYGYQWBUYPBFTQ-RWQQGDIJSA-N 2 0 392.544 0.545 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583621688 1186902373 /nfs/dbraw/zinc/90/23/73/1186902373.db2.gz VWDUMCHJLRBYJR-IAGOWNOFSA-N 2 0 395.935 0.421 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778183 1186937110 /nfs/dbraw/zinc/93/71/10/1186937110.db2.gz GIQUVWUSUZAREV-VQIMIIECSA-N 2 0 391.560 0.071 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778181 1186937457 /nfs/dbraw/zinc/93/74/57/1186937457.db2.gz GIQUVWUSUZAREV-LPHOPBHVSA-N 2 0 391.560 0.071 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000583919282 1186961341 /nfs/dbraw/zinc/96/13/41/1186961341.db2.gz BOPWOQQBYIMBBA-HNNXBMFYSA-N 2 0 386.496 0.983 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001211603789 1186968489 /nfs/dbraw/zinc/96/84/89/1186968489.db2.gz SJZVNFFQPSJGRA-MXASKKJJSA-N 2 0 387.484 0.106 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000583986645 1186972942 /nfs/dbraw/zinc/97/29/42/1186972942.db2.gz CSSGVARTISZZCC-KRWDZBQOSA-N 2 0 380.533 0.690 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000285888493 1186992732 /nfs/dbraw/zinc/99/27/32/1186992732.db2.gz JBMRUDKSXUQAQA-KURKYZTESA-N 2 0 387.484 0.146 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C[C@@H](C)O1 ZINC000584107296 1187000049 /nfs/dbraw/zinc/00/00/49/1187000049.db2.gz GSKJEFXXPNMWHW-RWQQGDIJSA-N 2 0 392.544 0.545 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000584195163 1187013294 /nfs/dbraw/zinc/01/32/94/1187013294.db2.gz OZEMQAKVAAGMMD-MSOLQXFVSA-N 2 0 394.560 0.719 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276383 1187017817 /nfs/dbraw/zinc/01/78/17/1187017817.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 2 0 391.560 0.355 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000584365056 1187041213 /nfs/dbraw/zinc/04/12/13/1187041213.db2.gz FBVHUEKTZURODQ-SFHVURJKSA-N 2 0 386.562 0.109 20 0 GCADRP CN1C(=O)C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000584386777 1187047366 /nfs/dbraw/zinc/04/73/66/1187047366.db2.gz PJIGNOUSXOUITM-DKSSEZFCSA-N 2 0 382.455 0.435 20 0 GCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413536369 1187057363 /nfs/dbraw/zinc/05/73/63/1187057363.db2.gz GMQIEIJZHMOPOS-SFHVURJKSA-N 2 0 381.565 0.957 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000584424344 1187058422 /nfs/dbraw/zinc/05/84/22/1187058422.db2.gz XHOKNRBWFXECLB-UHFFFAOYSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000375748618 1187058883 /nfs/dbraw/zinc/05/88/83/1187058883.db2.gz IPLWKQYLPCLQHN-JKSUJKDBSA-N 2 0 390.532 1.325 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685304091 1187059578 /nfs/dbraw/zinc/05/95/78/1187059578.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 2 0 391.560 0.212 20 0 GCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000128183692 1187063891 /nfs/dbraw/zinc/06/38/91/1187063891.db2.gz ANGWGJOBXQDMQL-UHFFFAOYSA-N 2 0 376.461 0.567 20 0 GCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000657870664 1187079738 /nfs/dbraw/zinc/07/97/38/1187079738.db2.gz PXRIBYQNHWFCPY-SFHVURJKSA-N 2 0 385.512 0.921 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657870159 1187079766 /nfs/dbraw/zinc/07/97/66/1187079766.db2.gz FAOQFNHETOGTRZ-UHFFFAOYSA-N 2 0 390.532 0.072 20 0 GCADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873539 1187086187 /nfs/dbraw/zinc/08/61/87/1187086187.db2.gz JVVYZCWJFTWNSZ-UHFFFAOYSA-N 2 0 380.452 0.474 20 0 GCADRP CC[NH+]1CCN(CCC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000431559170 1187094260 /nfs/dbraw/zinc/09/42/60/1187094260.db2.gz JMNXSJQFBVQESI-UHFFFAOYSA-N 2 0 395.592 0.757 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000685519784 1187141572 /nfs/dbraw/zinc/14/15/72/1187141572.db2.gz SGLQXCHJEYDREJ-SFHVURJKSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000685519753 1187142009 /nfs/dbraw/zinc/14/20/09/1187142009.db2.gz PEEGNWNRJBCNPG-HOTGVXAUSA-N 2 0 380.533 0.593 20 0 GCADRP [NH3+][C@H](CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000892400515 1187150666 /nfs/dbraw/zinc/15/06/66/1187150666.db2.gz SNKYFYHCIKAUDJ-LJQANCHMSA-N 2 0 387.528 0.896 20 0 GCADRP [NH3+][C@@H](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000892412210 1187203322 /nfs/dbraw/zinc/20/33/22/1187203322.db2.gz ATTUKEPPDPXHBE-FJIDUMEYSA-N 2 0 387.484 0.523 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001023978673 1187208989 /nfs/dbraw/zinc/20/89/89/1187208989.db2.gz FISMYNJVNLWCTF-AAJLLMFJSA-N 2 0 389.500 0.179 20 0 GCADRP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673775 1187218188 /nfs/dbraw/zinc/21/81/88/1187218188.db2.gz WHMIEHHVRVEGOR-MRXNPFEDSA-N 2 0 375.477 0.880 20 0 GCADRP COc1cc2c(cc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+])C(=O)NCCC2 ZINC000658381227 1187279767 /nfs/dbraw/zinc/27/97/67/1187279767.db2.gz CABMFMNZLKUOOH-UHFFFAOYSA-N 2 0 384.502 0.060 20 0 GCADRP C[C@H](CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+](C)C ZINC000658420700 1187292661 /nfs/dbraw/zinc/29/26/61/1187292661.db2.gz HEQXYLDCFPLGQT-CYBMUJFWSA-N 2 0 391.472 0.551 20 0 GCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CCO1 ZINC000179448809 1187322891 /nfs/dbraw/zinc/32/28/91/1187322891.db2.gz ULVVCRDDYQRUSQ-GOSISDBHSA-N 2 0 394.560 0.938 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000548896830 1187371201 /nfs/dbraw/zinc/37/12/01/1187371201.db2.gz DQRWXWDYQCMRIU-CQSZACIVSA-N 2 0 390.492 0.662 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612221985 1187410666 /nfs/dbraw/zinc/41/06/66/1187410666.db2.gz XVRUUOXOOXOLBJ-IBGZPJMESA-N 2 0 387.528 0.962 20 0 GCADRP C[N@H+](CCCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000413597771 1187424217 /nfs/dbraw/zinc/42/42/17/1187424217.db2.gz BADOPYKFBCNAIS-UHFFFAOYSA-N 2 0 381.565 0.957 20 0 GCADRP C[NH+]1CCCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000636036439 1187433007 /nfs/dbraw/zinc/43/30/07/1187433007.db2.gz IVEVBVKZUTVTGO-IRXDYDNUSA-N 2 0 380.533 0.425 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC000685761788 1187452019 /nfs/dbraw/zinc/45/20/19/1187452019.db2.gz BLHLCWXBNJAYMP-KRWDZBQOSA-N 2 0 391.516 0.590 20 0 GCADRP C[C@@H](NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000569960257 1187487583 /nfs/dbraw/zinc/48/75/83/1187487583.db2.gz JVATUAQVDDURIC-SJLPKXTDSA-N 2 0 376.501 0.460 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000612481046 1187504217 /nfs/dbraw/zinc/50/42/17/1187504217.db2.gz OMWBQTIYFNMUMP-OALUTQOASA-N 2 0 394.560 0.794 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000612484973 1187505442 /nfs/dbraw/zinc/50/54/42/1187505442.db2.gz JULIZUAPLNIAAF-MOPGFXCFSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000612485091 1187505560 /nfs/dbraw/zinc/50/55/60/1187505560.db2.gz KINMOFDMGVYVPX-GOSISDBHSA-N 2 0 395.592 0.707 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000413786556 1187510364 /nfs/dbraw/zinc/51/03/64/1187510364.db2.gz QPEOXKXPKNMZGR-SFHLNBCPSA-N 2 0 390.528 0.889 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000612548658 1187521264 /nfs/dbraw/zinc/52/12/64/1187521264.db2.gz PLBHYDAWUCYMMH-QRVBRYPASA-N 2 0 393.576 0.604 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597771 1187535497 /nfs/dbraw/zinc/53/54/97/1187535497.db2.gz NAGZHZCTBZKZHI-CGTJXYLNSA-N 2 0 378.517 0.299 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000612595930 1187536212 /nfs/dbraw/zinc/53/62/12/1187536212.db2.gz LKVLNDFBYUSHNW-AEFFLSMTSA-N 2 0 378.517 0.300 20 0 GCADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612596423 1187536568 /nfs/dbraw/zinc/53/65/68/1187536568.db2.gz OZFOXWVJCUCZHU-QGZVFWFLSA-N 2 0 392.500 0.539 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612596724 1187537395 /nfs/dbraw/zinc/53/73/95/1187537395.db2.gz SJKGQPKZACHCGX-WMZOPIPTSA-N 2 0 380.533 0.546 20 0 GCADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000612598157 1187538830 /nfs/dbraw/zinc/53/88/30/1187538830.db2.gz SFLCVVSFTGYAEG-MJGOQNOKSA-N 2 0 392.544 0.546 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612600695 1187540358 /nfs/dbraw/zinc/54/03/58/1187540358.db2.gz KVKQQQNGQHHTSH-GOSISDBHSA-N 2 0 387.484 0.100 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612601650 1187540365 /nfs/dbraw/zinc/54/03/65/1187540365.db2.gz SDPXRWRCPAYITG-SFHVURJKSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612604692 1187540925 /nfs/dbraw/zinc/54/09/25/1187540925.db2.gz UGXICAIJLLNIDP-KRWDZBQOSA-N 2 0 380.533 0.689 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)C2)CC1 ZINC000570234552 1187551655 /nfs/dbraw/zinc/55/16/55/1187551655.db2.gz ZFKSUYBHVSZCDP-SJLPKXTDSA-N 2 0 379.549 0.212 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000670782889 1187568813 /nfs/dbraw/zinc/56/88/13/1187568813.db2.gz OOGCILGPOFSLNR-MRXNPFEDSA-N 2 0 377.533 0.014 20 0 GCADRP CCn1nccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000612823170 1187598005 /nfs/dbraw/zinc/59/80/05/1187598005.db2.gz APTVIQBEUCZDRW-KRWDZBQOSA-N 2 0 376.505 0.146 20 0 GCADRP O=C(NCC1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911387 1187617593 /nfs/dbraw/zinc/61/75/93/1187617593.db2.gz JWKMGVSVHWGYLY-MRXNPFEDSA-N 2 0 375.521 0.708 20 0 GCADRP O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612913779 1187617918 /nfs/dbraw/zinc/61/79/18/1187617918.db2.gz DSPJFULYNXMBGR-CVEARBPZSA-N 2 0 375.521 0.708 20 0 GCADRP [NH3+]C1CCC(NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000612917651 1187618461 /nfs/dbraw/zinc/61/84/61/1187618461.db2.gz HVAZGEXLZPIEDM-FHERZECASA-N 2 0 375.521 0.978 20 0 GCADRP NC(=O)c1cc(N2CC[NH+](C3CCC3)CC2)nc(N2CC[NH+](C3CCC3)CC2)n1 ZINC000892517410 1187650931 /nfs/dbraw/zinc/65/09/31/1187650931.db2.gz JNPMQBAYEYJJFZ-UHFFFAOYSA-N 2 0 399.543 0.925 20 0 GCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000670786434 1187677754 /nfs/dbraw/zinc/67/77/54/1187677754.db2.gz BJBDRTSPFUHFCU-MRXNPFEDSA-N 2 0 388.516 0.002 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178179045 1187760210 /nfs/dbraw/zinc/76/02/10/1187760210.db2.gz XYWKTDLBXASQRC-HZPDHXFCSA-N 2 0 376.505 0.637 20 0 GCADRP O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)[C@@H]1CCC[NH2+]1 ZINC000892586908 1187797342 /nfs/dbraw/zinc/79/73/42/1187797342.db2.gz GUARADKHVJSOPM-JCECYMMASA-N 2 0 377.533 0.807 20 0 GCADRP Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892611556 1187827213 /nfs/dbraw/zinc/82/72/13/1187827213.db2.gz PACNQVJQNRKBNQ-RTBURBONSA-N 2 0 376.501 0.955 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000659110883 1187885248 /nfs/dbraw/zinc/88/52/48/1187885248.db2.gz DKXNCNBQPDFWLY-YOEHRIQHSA-N 2 0 389.500 0.515 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647597065 1187906929 /nfs/dbraw/zinc/90/69/29/1187906929.db2.gz IUZFUXFEFVQZNV-HOTGVXAUSA-N 2 0 375.517 0.789 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423498016 1187915675 /nfs/dbraw/zinc/91/56/75/1187915675.db2.gz AWZCDMCSUMUZDW-ZWKOTPCHSA-N 2 0 381.565 0.460 20 0 GCADRP CN(C(=O)c1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000659287827 1187924918 /nfs/dbraw/zinc/92/49/18/1187924918.db2.gz UUDCICGRKJIQSY-MRXNPFEDSA-N 2 0 385.472 0.655 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000659293187 1187927301 /nfs/dbraw/zinc/92/73/01/1187927301.db2.gz SYKHGDOJBSSEDS-UHFFFAOYSA-N 2 0 387.488 0.140 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344784 1187946578 /nfs/dbraw/zinc/94/65/78/1187946578.db2.gz KQXDZUBIZRMBLL-OALUTQOASA-N 2 0 391.560 0.310 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659456774 1187960974 /nfs/dbraw/zinc/96/09/74/1187960974.db2.gz SFEOXTMQCKFJNG-VQTJNVASSA-N 2 0 393.576 0.814 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CCCC2)CC1 ZINC000659451534 1187961040 /nfs/dbraw/zinc/96/10/40/1187961040.db2.gz GQEHVMOHWHZSPO-UHFFFAOYSA-N 2 0 392.504 0.864 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000659565170 1187971902 /nfs/dbraw/zinc/97/19/02/1187971902.db2.gz FVLRCUDRGBBLPU-UHFFFAOYSA-N 2 0 385.472 0.747 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659581049 1187973025 /nfs/dbraw/zinc/97/30/25/1187973025.db2.gz HZPOXJDAPBMCSD-KBAYOESNSA-N 2 0 391.491 0.768 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC1 ZINC000659672411 1187990384 /nfs/dbraw/zinc/99/03/84/1187990384.db2.gz VNUKNMKIRXVYPK-UHFFFAOYSA-N 2 0 380.533 0.773 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000659680672 1187993315 /nfs/dbraw/zinc/99/33/15/1187993315.db2.gz JBFVCSOIWZSBLF-UHFFFAOYSA-N 2 0 398.467 0.169 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000659673986 1187993790 /nfs/dbraw/zinc/99/37/90/1187993790.db2.gz JYADPNIMEWUTEN-MRXNPFEDSA-N 2 0 398.467 0.210 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659680783 1187993905 /nfs/dbraw/zinc/99/39/05/1187993905.db2.gz KVQVOSJAFVLPFD-CHWSQXEVSA-N 2 0 392.504 0.130 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000659676522 1187994307 /nfs/dbraw/zinc/99/43/07/1187994307.db2.gz HCWFHYKTAOWRJF-AYOQOUSVSA-N 2 0 388.512 0.455 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659688205 1187998309 /nfs/dbraw/zinc/99/83/09/1187998309.db2.gz UYCSQMLOWJOMBW-KRWDZBQOSA-N 2 0 376.501 0.589 20 0 GCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659683459 1187998627 /nfs/dbraw/zinc/99/86/27/1187998627.db2.gz ZCVZCWZGHNDAQB-DZGCQCFKSA-N 2 0 398.467 0.209 20 0 GCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659683462 1187998730 /nfs/dbraw/zinc/99/87/30/1187998730.db2.gz ZCVZCWZGHNDAQB-ZFWWWQNUSA-N 2 0 398.467 0.209 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659698501 1187999409 /nfs/dbraw/zinc/99/94/09/1187999409.db2.gz OPLXTLXKQSMDMG-QGZVFWFLSA-N 2 0 375.517 0.287 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000659691216 1188000040 /nfs/dbraw/zinc/00/00/40/1188000040.db2.gz VTEPQCSDXMTZJN-HNNXBMFYSA-N 2 0 398.467 0.038 20 0 GCADRP Nc1cccc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000659697272 1188001597 /nfs/dbraw/zinc/00/15/97/1188001597.db2.gz WETCQDBDFVMSNO-UHFFFAOYSA-N 2 0 396.495 0.609 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659698793 1188004044 /nfs/dbraw/zinc/00/40/44/1188004044.db2.gz MKMJMVBFVFASLR-CYBMUJFWSA-N 2 0 378.477 0.028 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)c1 ZINC000659698705 1188004271 /nfs/dbraw/zinc/00/42/71/1188004271.db2.gz IUTDFQPEZJLZTI-UHFFFAOYSA-N 2 0 389.544 0.819 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCSC1 ZINC000659702082 1188005003 /nfs/dbraw/zinc/00/50/03/1188005003.db2.gz NXNDHRICNHDCPT-APWZRJJASA-N 2 0 382.574 0.778 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659704006 1188005768 /nfs/dbraw/zinc/00/57/68/1188005768.db2.gz IKXUUCMWSSAHJX-UHFFFAOYSA-N 2 0 376.501 0.673 20 0 GCADRP CC1(CNC(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000659722116 1188009149 /nfs/dbraw/zinc/00/91/49/1188009149.db2.gz FDDOHLVFIQZGHG-UHFFFAOYSA-N 2 0 387.528 0.916 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000415311596 1188030418 /nfs/dbraw/zinc/03/04/18/1188030418.db2.gz RFMMTENUHGIHEB-UHFFFAOYSA-N 2 0 375.473 0.727 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000415324801 1188032708 /nfs/dbraw/zinc/03/27/08/1188032708.db2.gz UXRVLWMBPUQXEC-UHFFFAOYSA-N 2 0 389.500 0.598 20 0 GCADRP C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000415347057 1188055715 /nfs/dbraw/zinc/05/57/15/1188055715.db2.gz IMUVARPVHHSOML-AEFFLSMTSA-N 2 0 387.528 0.877 20 0 GCADRP C[NH2+]CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000415359118 1188060441 /nfs/dbraw/zinc/06/04/41/1188060441.db2.gz JOZBQWJJQNWOFI-UHFFFAOYSA-N 2 0 396.495 0.678 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000415410041 1188072807 /nfs/dbraw/zinc/07/28/07/1188072807.db2.gz DYZFQMNADSOJNR-HNNXBMFYSA-N 2 0 391.516 0.747 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415420505 1188076941 /nfs/dbraw/zinc/07/69/41/1188076941.db2.gz SPQWYQWCSDHPHY-AWEZNQCLSA-N 2 0 377.489 0.581 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC[NH2+]1 ZINC000415426914 1188077644 /nfs/dbraw/zinc/07/76/44/1188077644.db2.gz FEJOGTPVKRLETM-MRXNPFEDSA-N 2 0 385.512 0.977 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415460886 1188086105 /nfs/dbraw/zinc/08/61/05/1188086105.db2.gz ZFTPXLIOQVAZRR-KRWDZBQOSA-N 2 0 389.500 0.629 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000415468711 1188087835 /nfs/dbraw/zinc/08/78/35/1188087835.db2.gz WRIDMMIYKZPXSG-SFHVURJKSA-N 2 0 375.517 0.862 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000415499070 1188091889 /nfs/dbraw/zinc/09/18/89/1188091889.db2.gz QXKJGDRJYLOSBM-INIZCTEOSA-N 2 0 375.473 0.726 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000415552326 1188104788 /nfs/dbraw/zinc/10/47/88/1188104788.db2.gz FLVGVUFUOKBLTA-UONOGXRCSA-N 2 0 375.473 0.702 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC000415556531 1188106389 /nfs/dbraw/zinc/10/63/89/1188106389.db2.gz CTVYNULDBIKSGG-SJORKVTESA-N 2 0 387.528 0.971 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000415582880 1188113081 /nfs/dbraw/zinc/11/30/81/1188113081.db2.gz VDDICZBAZBYIHJ-WMZOPIPTSA-N 2 0 387.528 0.958 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCO1 ZINC000415597320 1188117997 /nfs/dbraw/zinc/11/79/97/1188117997.db2.gz JDTPDKUMBMITBQ-OAHLLOKOSA-N 2 0 378.498 0.360 20 0 GCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000893052975 1188121587 /nfs/dbraw/zinc/12/15/87/1188121587.db2.gz IZQFVIRWOUCBBH-RTBURBONSA-N 2 0 381.565 0.766 20 0 GCADRP COC[C@]1(CNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CCC[NH2+]1 ZINC000415712569 1188146941 /nfs/dbraw/zinc/14/69/41/1188146941.db2.gz VGPDGRVMTUIYRX-HXUWFJFHSA-N 2 0 392.500 0.759 20 0 GCADRP COC[C@]1(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CCC[NH2+]1 ZINC000415714323 1188147935 /nfs/dbraw/zinc/14/79/35/1188147935.db2.gz XYOKRMSJJIPNHY-LJQANCHMSA-N 2 0 396.463 0.589 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415745269 1188156255 /nfs/dbraw/zinc/15/62/55/1188156255.db2.gz QTXVXGTVPVFAOZ-UHFFFAOYSA-N 2 0 375.473 0.206 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000415771411 1188161219 /nfs/dbraw/zinc/16/12/19/1188161219.db2.gz ROZWVALOMSHMCO-BBRMVZONSA-N 2 0 378.448 0.915 20 0 GCADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415812394 1189369654 /nfs/dbraw/zinc/36/96/54/1189369654.db2.gz DDZFYQRLDAPPQB-XLIONFOSSA-N 2 0 397.523 0.977 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(c2cc(C(N)=O)nc(N3CC[C@@H](C[NH+](C)C)C3)n2)C1 ZINC000893118240 1189373043 /nfs/dbraw/zinc/37/30/43/1189373043.db2.gz CDPXZBHXHBPXMR-GJZGRUSLSA-N 2 0 375.521 0.351 20 0 GCADRP C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)cn2)CC1 ZINC000415824291 1189374194 /nfs/dbraw/zinc/37/41/94/1189374194.db2.gz UPFIYZSUZZEPKF-UHFFFAOYSA-N 2 0 375.473 0.704 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000415837330 1189376050 /nfs/dbraw/zinc/37/60/50/1189376050.db2.gz CMIMELPHXNPLEV-FUHWJXTLSA-N 2 0 387.528 0.816 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C[C@H]1C[NH3+] ZINC000415845955 1189379489 /nfs/dbraw/zinc/37/94/89/1189379489.db2.gz KIUZIWXCIGOONP-LSDHHAIUSA-N 2 0 389.500 0.936 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000415850457 1189381960 /nfs/dbraw/zinc/38/19/60/1189381960.db2.gz GVGFPEICNYBOSN-QGZVFWFLSA-N 2 0 391.516 0.366 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C1 ZINC000415854946 1189382907 /nfs/dbraw/zinc/38/29/07/1189382907.db2.gz NTPTZJINQIAIHJ-VQIMIIECSA-N 2 0 387.528 0.877 20 0 GCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)c2)CC1 ZINC000415860618 1189384703 /nfs/dbraw/zinc/38/47/03/1189384703.db2.gz HZAKMNYYBUCOQT-GOSISDBHSA-N 2 0 389.500 0.260 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415862907 1189385737 /nfs/dbraw/zinc/38/57/37/1189385737.db2.gz KZRPTQGOISMJBB-OAHLLOKOSA-N 2 0 378.473 0.450 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651222398 1189405363 /nfs/dbraw/zinc/40/53/63/1189405363.db2.gz XBEVMNYOGBLZFU-MRXNPFEDSA-N 2 0 378.521 0.256 20 0 GCADRP C[C@@H]1CC(=O)C[C@H](C(=O)NCC2([NH+](C)C)CC2)[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416309244 1189487549 /nfs/dbraw/zinc/48/75/49/1189487549.db2.gz VBPSHVWSCOSPDI-HYVNUMGLSA-N 2 0 392.544 0.639 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893238606 1189508269 /nfs/dbraw/zinc/50/82/69/1189508269.db2.gz OADWDJSHXCYOQL-GUDVDZBRSA-N 2 0 381.565 0.501 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000511571525 1189559323 /nfs/dbraw/zinc/55/93/23/1189559323.db2.gz HCQAYJJWTXTCDH-HKUYNNGSSA-N 2 0 390.528 0.660 20 0 GCADRP COc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)[NH+](C)C)cc1OC ZINC000416824267 1189586921 /nfs/dbraw/zinc/58/69/21/1189586921.db2.gz ZKYIFVOJEZIATH-CVEARBPZSA-N 2 0 379.505 0.509 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000416834906 1189587813 /nfs/dbraw/zinc/58/78/13/1189587813.db2.gz XWFPDSBHCHXKRP-HZPDHXFCSA-N 2 0 377.489 0.913 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000416834905 1189587977 /nfs/dbraw/zinc/58/79/77/1189587977.db2.gz XWFPDSBHCHXKRP-HOTGVXAUSA-N 2 0 377.489 0.913 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000416881066 1189591310 /nfs/dbraw/zinc/59/13/10/1189591310.db2.gz ZVEAJXXWJONHQE-SJORKVTESA-N 2 0 383.537 0.372 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416944187 1189596860 /nfs/dbraw/zinc/59/68/60/1189596860.db2.gz MJAQTFOJXRZTDI-GFIVTLFCSA-N 2 0 395.548 0.432 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000416944190 1189597259 /nfs/dbraw/zinc/59/72/59/1189597259.db2.gz MJAQTFOJXRZTDI-LFEHRJTNSA-N 2 0 395.548 0.432 20 0 GCADRP COC[C@@]1(CNC(=O)NCCCN2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000416950378 1189600371 /nfs/dbraw/zinc/60/03/71/1189600371.db2.gz MGKYRDKVIULWHP-IBGZPJMESA-N 2 0 391.520 0.057 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000416963483 1189600788 /nfs/dbraw/zinc/60/07/88/1189600788.db2.gz ZGCZPEHBDFEMMB-IRXDYDNUSA-N 2 0 375.521 0.805 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000416975711 1189602699 /nfs/dbraw/zinc/60/26/99/1189602699.db2.gz ZPHURIBOIFCKFO-QGZVFWFLSA-N 2 0 391.516 0.624 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000416981644 1189605200 /nfs/dbraw/zinc/60/52/00/1189605200.db2.gz CVLIDXHMDLGZQQ-IBGZPJMESA-N 2 0 375.517 0.612 20 0 GCADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417012086 1189607177 /nfs/dbraw/zinc/60/71/77/1189607177.db2.gz VLSRQAMZZVHGNY-CTNGQTDRSA-N 2 0 399.539 0.991 20 0 GCADRP C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274437225 1189608016 /nfs/dbraw/zinc/60/80/16/1189608016.db2.gz WRZJFQCNRPDOHH-IEBWSBKVSA-N 2 0 391.516 0.775 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](c2ccccc2)C1 ZINC000417022151 1189608706 /nfs/dbraw/zinc/60/87/06/1189608706.db2.gz NXFPCMVIBZQFTN-VQTJNVASSA-N 2 0 388.560 0.568 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417153674 1189624665 /nfs/dbraw/zinc/62/46/65/1189624665.db2.gz PCHYBEFDCMEEAE-LJQANCHMSA-N 2 0 375.517 0.876 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000584736701 1189643584 /nfs/dbraw/zinc/64/35/84/1189643584.db2.gz CGWRKKAAUVTUHH-RBUKOAKNSA-N 2 0 388.512 0.462 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417354858 1189652254 /nfs/dbraw/zinc/65/22/54/1189652254.db2.gz CVDASDKHJMTOGG-KRWDZBQOSA-N 2 0 391.516 0.624 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417354859 1189652691 /nfs/dbraw/zinc/65/26/91/1189652691.db2.gz CVDASDKHJMTOGG-QGZVFWFLSA-N 2 0 391.516 0.624 20 0 GCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612918047 1189653330 /nfs/dbraw/zinc/65/33/30/1189653330.db2.gz JOSBERYPSZQWHZ-ARFHVFGLSA-N 2 0 375.521 0.836 20 0 GCADRP CO[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C[NH3+])C1 ZINC000417371540 1189654541 /nfs/dbraw/zinc/65/45/41/1189654541.db2.gz WKCOOOHSQIDJLE-MOPGFXCFSA-N 3 0 390.532 0.741 20 0 GCADRP COC[C@]1(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000417457673 1189667965 /nfs/dbraw/zinc/66/79/65/1189667965.db2.gz CTPNTCZCCKVIBD-HXUWFJFHSA-N 2 0 391.516 0.546 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417496951 1189674989 /nfs/dbraw/zinc/67/49/89/1189674989.db2.gz ACHXPVGPSUOTHH-QGZVFWFLSA-N 2 0 375.521 0.772 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCCC1=CC[NH2+]CC1 ZINC000417518154 1189675760 /nfs/dbraw/zinc/67/57/60/1189675760.db2.gz RWPKYHOCMJLXTQ-UHFFFAOYSA-N 2 0 387.532 0.988 20 0 GCADRP C[C@H]1[NH2+]CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H]1C ZINC000417519671 1189676003 /nfs/dbraw/zinc/67/60/03/1189676003.db2.gz VNUWNDVEBHUNPN-SJORKVTESA-N 2 0 375.521 0.771 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC[C@@H]21 ZINC000584825490 1189682541 /nfs/dbraw/zinc/68/25/41/1189682541.db2.gz AXDRPHZHRDKRSS-MOPGFXCFSA-N 2 0 392.544 0.500 20 0 GCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000417621814 1189690231 /nfs/dbraw/zinc/69/02/31/1189690231.db2.gz LHBSHWIRANZFPZ-GJZGRUSLSA-N 2 0 377.493 0.319 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000584852931 1189693166 /nfs/dbraw/zinc/69/31/66/1189693166.db2.gz KLBZBLRCZIOOQP-RBUKOAKNSA-N 2 0 395.592 0.469 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000417669830 1189694637 /nfs/dbraw/zinc/69/46/37/1189694637.db2.gz MYIDGXRPVZEWEV-OTWHNJEPSA-N 2 0 381.565 0.813 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@H]1C ZINC000660260613 1189695073 /nfs/dbraw/zinc/69/50/73/1189695073.db2.gz AGTBDYHUYGCIDI-FGTMMUONSA-N 2 0 380.533 0.641 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[C@H](C)C1 ZINC000417673865 1189695414 /nfs/dbraw/zinc/69/54/14/1189695414.db2.gz XLKCJBRSNBGSSD-QYZOEREBSA-N 2 0 381.565 0.813 20 0 GCADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)CCC(F)(F)F ZINC000418081609 1189720846 /nfs/dbraw/zinc/72/08/46/1189720846.db2.gz VQQINRVBBDPVOS-ZDUSSCGKSA-N 2 0 381.443 0.757 20 0 GCADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000418157461 1189729869 /nfs/dbraw/zinc/72/98/69/1189729869.db2.gz BUBANLQQRVAGFJ-UHFFFAOYSA-N 2 0 375.517 0.864 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000418287594 1189748696 /nfs/dbraw/zinc/74/86/96/1189748696.db2.gz KSSYRBOFRLCIDX-RTBURBONSA-N 2 0 375.517 0.735 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000418287579 1189748836 /nfs/dbraw/zinc/74/88/36/1189748836.db2.gz KSSYRBOFRLCIDX-MOPGFXCFSA-N 2 0 375.517 0.735 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418296079 1189750486 /nfs/dbraw/zinc/75/04/86/1189750486.db2.gz IXGPCYKGMBTMTF-FQEVSTJZSA-N 2 0 375.517 0.170 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000364331910 1189751565 /nfs/dbraw/zinc/75/15/65/1189751565.db2.gz MVFVDFAGNHWICO-ZWKOTPCHSA-N 2 0 395.548 0.435 20 0 GCADRP CCN1CCO[C@H](C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000364377427 1189773363 /nfs/dbraw/zinc/77/33/63/1189773363.db2.gz PMXDFJVSBXLFMM-KRWDZBQOSA-N 2 0 382.549 0.650 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660403592 1189783656 /nfs/dbraw/zinc/78/36/56/1189783656.db2.gz DENNFCNOHAHMLU-LJQANCHMSA-N 2 0 381.565 0.957 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418550710 1189823489 /nfs/dbraw/zinc/82/34/89/1189823489.db2.gz ONXRNUOCZIPHSP-MSOLQXFVSA-N 2 0 375.517 0.717 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000636568560 1189861844 /nfs/dbraw/zinc/86/18/44/1189861844.db2.gz LPFAWERRIGPCJG-FQEVSTJZSA-N 2 0 389.544 0.873 20 0 GCADRP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000660535828 1189893896 /nfs/dbraw/zinc/89/38/96/1189893896.db2.gz LFGLFROGVHYQAG-CEXWTWQISA-N 2 0 391.560 0.168 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000660542654 1189896259 /nfs/dbraw/zinc/89/62/59/1189896259.db2.gz AQRVBYZBDJAJME-RBUKOAKNSA-N 2 0 392.544 0.500 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711768 1189939577 /nfs/dbraw/zinc/93/95/77/1189939577.db2.gz GSBJRGUYBFWSQZ-HKUYNNGSSA-N 2 0 379.549 0.707 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000660755959 1189946963 /nfs/dbraw/zinc/94/69/63/1189946963.db2.gz HAPLQZIGGRBWLD-MSOLQXFVSA-N 2 0 382.549 0.935 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660828917 1189955694 /nfs/dbraw/zinc/95/56/94/1189955694.db2.gz CFFQMMLEBFGFGO-IEBWSBKVSA-N 2 0 381.565 0.813 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660854744 1189956217 /nfs/dbraw/zinc/95/62/17/1189956217.db2.gz BYZKINLNGYWQFS-QGZVFWFLSA-N 2 0 381.565 0.813 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660852696 1189957445 /nfs/dbraw/zinc/95/74/45/1189957445.db2.gz FVALSLIGIHJREH-QZTJIDSGSA-N 2 0 395.548 0.482 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864876 1189958938 /nfs/dbraw/zinc/95/89/38/1189958938.db2.gz PWLHMVODDHNXQC-RBUKOAKNSA-N 2 0 381.565 0.813 20 0 GCADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662756070 1190019827 /nfs/dbraw/zinc/01/98/27/1190019827.db2.gz HIUNWMYNQIFVOU-OAHLLOKOSA-N 2 0 384.488 0.992 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)C[C@@H](C)O1 ZINC000419224605 1193721802 /nfs/dbraw/zinc/72/18/02/1193721802.db2.gz ZSZLWDCPSWCRNH-CLCXKQKWSA-N 2 0 388.512 0.766 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000246500033 1193722039 /nfs/dbraw/zinc/72/20/39/1193722039.db2.gz HMNGMIABUJKYCD-FPOVZHCZSA-N 2 0 391.560 0.977 20 0 GCADRP CC(C)(CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1CCCCC1 ZINC000512676908 1193732314 /nfs/dbraw/zinc/73/23/14/1193732314.db2.gz GLSIODHMJLWQPU-UHFFFAOYSA-N 2 0 383.581 0.940 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000419228771 1193738438 /nfs/dbraw/zinc/73/84/38/1193738438.db2.gz MRTWVWGMDNQBEX-SJLPKXTDSA-N 2 0 376.501 0.365 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419228768 1193738470 /nfs/dbraw/zinc/73/84/70/1193738470.db2.gz MRMXPRGGLMUJEV-QRQLOZEOSA-N 2 0 388.512 0.589 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419236023 1193749930 /nfs/dbraw/zinc/74/99/30/1193749930.db2.gz ZWMVLGNJEFTEMD-VQFNDLOPSA-N 2 0 376.501 0.039 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000433097835 1193750515 /nfs/dbraw/zinc/75/05/15/1193750515.db2.gz PRJVPCQBCNSTLD-UHFFFAOYSA-N 2 0 396.557 0.923 20 0 GCADRP C[C@@]1(c2ccc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)NC(=O)NC1=O ZINC000433136894 1193762636 /nfs/dbraw/zinc/76/26/36/1193762636.db2.gz ZAZFYCVOSANQLM-FQEVSTJZSA-N 2 0 387.484 0.561 20 0 GCADRP C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433160634 1193768716 /nfs/dbraw/zinc/76/87/16/1193768716.db2.gz HMAYBEKGFPYAKW-GOSISDBHSA-N 2 0 393.576 0.735 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419288334 1193787861 /nfs/dbraw/zinc/78/78/61/1193787861.db2.gz SSMJLMBIZFWMDO-KBPBESRZSA-N 2 0 379.480 0.560 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419301343 1193794631 /nfs/dbraw/zinc/79/46/31/1193794631.db2.gz NNIBPVFNRIXZLM-GUYCJALGSA-N 2 0 391.491 0.608 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419302699 1193795237 /nfs/dbraw/zinc/79/52/37/1193795237.db2.gz QGUGNSCHOBOZRB-AWEZNQCLSA-N 2 0 391.491 0.752 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419302778 1193795724 /nfs/dbraw/zinc/79/57/24/1193795724.db2.gz QMTSCYJRGSJHMQ-ZBFHGGJFSA-N 2 0 391.491 0.704 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419302777 1193796148 /nfs/dbraw/zinc/79/61/48/1193796148.db2.gz QMTSCYJRGSJHMQ-HOCLYGCPSA-N 2 0 391.491 0.704 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419303777 1193797105 /nfs/dbraw/zinc/79/71/05/1193797105.db2.gz SOUOFIUBOILRJS-CQSZACIVSA-N 2 0 377.464 0.187 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419305544 1193797213 /nfs/dbraw/zinc/79/72/13/1193797213.db2.gz XBWJEAVLMVKRRL-CABCVRRESA-N 2 0 393.507 0.856 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419305878 1193798280 /nfs/dbraw/zinc/79/82/80/1193798280.db2.gz XRVKXUYETPFCLC-HOCLYGCPSA-N 2 0 391.491 0.623 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000333120751 1193813271 /nfs/dbraw/zinc/81/32/71/1193813271.db2.gz IDRNMTDWCVXEOM-WBVHZDCISA-N 2 0 386.562 0.510 20 0 GCADRP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000333138446 1193817693 /nfs/dbraw/zinc/81/76/93/1193817693.db2.gz BZBCTXOVISKYOX-QRVBRYPASA-N 2 0 381.565 0.953 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000419326435 1193819972 /nfs/dbraw/zinc/81/99/72/1193819972.db2.gz CHLIJERCQLLYSX-UXHICEINSA-N 2 0 399.539 0.261 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000419326965 1193820661 /nfs/dbraw/zinc/82/06/61/1193820661.db2.gz CNBYAQNHXOQASR-QGZVFWFLSA-N 2 0 387.528 0.261 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419334197 1193826877 /nfs/dbraw/zinc/82/68/77/1193826877.db2.gz GOHNQQNONDNEEE-IRXDYDNUSA-N 2 0 390.528 0.560 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419336436 1193829056 /nfs/dbraw/zinc/82/90/56/1193829056.db2.gz KJLSTQSEDXYZLW-MRXNPFEDSA-N 2 0 376.501 0.831 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000419336419 1193829871 /nfs/dbraw/zinc/82/98/71/1193829871.db2.gz KHXYJCJUFRVSTA-IBGZPJMESA-N 2 0 387.528 0.294 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000419341283 1193834508 /nfs/dbraw/zinc/83/45/08/1193834508.db2.gz OHZIHJYVDDCNOR-QGZVFWFLSA-N 2 0 376.501 0.831 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000419342340 1193834729 /nfs/dbraw/zinc/83/47/29/1193834729.db2.gz PCSWTHIAPGZCGC-IBGZPJMESA-N 2 0 387.528 0.390 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000419341658 1193835694 /nfs/dbraw/zinc/83/56/94/1193835694.db2.gz OMWBPDYNUUYCQS-LJQANCHMSA-N 2 0 387.528 0.294 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419346691 1193841168 /nfs/dbraw/zinc/84/11/68/1193841168.db2.gz VSNABJNCAMBVMT-INIZCTEOSA-N 2 0 375.517 0.246 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419347693 1193842672 /nfs/dbraw/zinc/84/26/72/1193842672.db2.gz XEFWSTDZRBYAQE-UHFFFAOYSA-N 2 0 376.501 0.845 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419353561 1193848465 /nfs/dbraw/zinc/84/84/65/1193848465.db2.gz JVUHEJSLRWHYEG-WMLDXEAASA-N 2 0 398.454 0.221 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccsc1 ZINC000419367643 1193869056 /nfs/dbraw/zinc/86/90/56/1193869056.db2.gz DMNQVWIQEJMXRP-JKSUJKDBSA-N 2 0 382.530 0.823 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419368170 1193872305 /nfs/dbraw/zinc/87/23/05/1193872305.db2.gz FONVXIPTTXXWLM-OALUTQOASA-N 2 0 390.528 0.550 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)Cc2ccccc2C1 ZINC000419373019 1193876163 /nfs/dbraw/zinc/87/61/63/1193876163.db2.gz LWZZTNQNNAWRPV-GBESFXJTSA-N 2 0 384.524 0.788 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000419375077 1193878214 /nfs/dbraw/zinc/87/82/14/1193878214.db2.gz PYBCEZXOULWDQV-GBESFXJTSA-N 2 0 384.524 0.706 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419380864 1193881681 /nfs/dbraw/zinc/88/16/81/1193881681.db2.gz XWOSVIFFNNGFAC-ROUUACIJSA-N 2 0 376.501 0.242 20 0 GCADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000419385933 1193897973 /nfs/dbraw/zinc/89/79/73/1193897973.db2.gz CWIOUQDNWQDVCL-SFHVURJKSA-N 2 0 388.512 0.434 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)c2)C1 ZINC000261883625 1193929775 /nfs/dbraw/zinc/92/97/75/1193929775.db2.gz UVKCOKUEXGKARY-MOPGFXCFSA-N 2 0 388.512 0.754 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)N(C)C)c1 ZINC000262318335 1193944984 /nfs/dbraw/zinc/94/49/84/1193944984.db2.gz CNFZTPGKJZPPEV-MRXNPFEDSA-N 2 0 383.514 0.581 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000664174763 1193946112 /nfs/dbraw/zinc/94/61/12/1193946112.db2.gz USRFRTRIFONNGH-MRXNPFEDSA-N 2 0 383.537 0.149 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)(C)C[NH+](C)C ZINC000513469547 1193954221 /nfs/dbraw/zinc/95/42/21/1193954221.db2.gz QGPHFLZHJWVMHA-JQHSSLGASA-N 2 0 396.576 0.963 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513486313 1193956759 /nfs/dbraw/zinc/95/67/59/1193956759.db2.gz VQFWURKDTREDAC-IAGOWNOFSA-N 2 0 395.592 0.706 20 0 GCADRP O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261797159 1193963452 /nfs/dbraw/zinc/96/34/52/1193963452.db2.gz IOOJMLYIERQZDN-RYQLBKOJSA-N 2 0 378.517 0.347 20 0 GCADRP C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000664218573 1193970569 /nfs/dbraw/zinc/97/05/69/1193970569.db2.gz FDPNNJIQXUVHLY-RTBURBONSA-N 2 0 381.565 0.766 20 0 GCADRP CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419399070 1194019338 /nfs/dbraw/zinc/01/93/38/1194019338.db2.gz IWAWUOJPQVAZNU-QZTJIDSGSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000419402273 1194020453 /nfs/dbraw/zinc/02/04/53/1194020453.db2.gz CBKPLFXETVIFEK-BPQIPLTHSA-N 2 0 380.533 0.579 20 0 GCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419419708 1194022639 /nfs/dbraw/zinc/02/26/39/1194022639.db2.gz MIEQBBOHUGZSNO-IBGZPJMESA-N 2 0 387.528 0.260 20 0 GCADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419420207 1194023246 /nfs/dbraw/zinc/02/32/46/1194023246.db2.gz MOXGCKACFVOWOS-LJQANCHMSA-N 2 0 387.528 0.260 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000419423481 1194025010 /nfs/dbraw/zinc/02/50/10/1194025010.db2.gz RSXTYLMZPFOZFU-MSOLQXFVSA-N 2 0 387.528 0.524 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419424308 1194025480 /nfs/dbraw/zinc/02/54/80/1194025480.db2.gz SXZLQDHJKYJHBY-SFHVURJKSA-N 2 0 375.517 0.207 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419422992 1194025626 /nfs/dbraw/zinc/02/56/26/1194025626.db2.gz RGLSFNZGHMPXNC-IBGZPJMESA-N 2 0 387.528 0.525 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419424085 1194025679 /nfs/dbraw/zinc/02/56/79/1194025679.db2.gz STBLQSLFFAIQDS-QGZVFWFLSA-N 2 0 375.517 0.287 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419424736 1194025700 /nfs/dbraw/zinc/02/57/00/1194025700.db2.gz ULIYLQRPFATYMW-AEFFLSMTSA-N 2 0 375.517 0.335 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419425120 1194026247 /nfs/dbraw/zinc/02/62/47/1194026247.db2.gz VAUWZKIVANLEHM-QGZVFWFLSA-N 2 0 375.517 0.116 20 0 GCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427140 1194027635 /nfs/dbraw/zinc/02/76/35/1194027635.db2.gz YOICSTYSWLJREV-FUHWJXTLSA-N 2 0 375.517 0.192 20 0 GCADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419411246 1194029320 /nfs/dbraw/zinc/02/93/20/1194029320.db2.gz BIOQBQGHTKFNQM-SFHVURJKSA-N 2 0 390.528 0.355 20 0 GCADRP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419415403 1194031299 /nfs/dbraw/zinc/03/12/99/1194031299.db2.gz NAKKRPACRQFCIP-ZWKOTPCHSA-N 2 0 388.512 0.780 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419416726 1194031314 /nfs/dbraw/zinc/03/13/14/1194031314.db2.gz JFLMDWGABCKQBQ-LJQANCHMSA-N 2 0 387.528 0.303 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000419415283 1194031793 /nfs/dbraw/zinc/03/17/93/1194031793.db2.gz HQCUEXAOKKAUKD-LJQANCHMSA-N 2 0 387.528 0.431 20 0 GCADRP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419415397 1194031849 /nfs/dbraw/zinc/03/18/49/1194031849.db2.gz NAKKRPACRQFCIP-MSOLQXFVSA-N 2 0 388.512 0.780 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](c2ccccc2)C1 ZINC000419417421 1194032267 /nfs/dbraw/zinc/03/22/67/1194032267.db2.gz KCNNJUGSRCIEMI-HSALFYBXSA-N 2 0 399.539 0.302 20 0 GCADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419445762 1194035977 /nfs/dbraw/zinc/03/59/77/1194035977.db2.gz FDNDIJIIQHOUSJ-ZWKOTPCHSA-N 2 0 387.528 0.429 20 0 GCADRP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000419475674 1194039422 /nfs/dbraw/zinc/03/94/22/1194039422.db2.gz OJPYAKDHWMTWHP-NEWSRXKRSA-N 2 0 388.512 0.589 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000419499239 1194046143 /nfs/dbraw/zinc/04/61/43/1194046143.db2.gz BIMAGSLCKXABTR-SFHVURJKSA-N 2 0 387.528 0.444 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000419503266 1194046864 /nfs/dbraw/zinc/04/68/64/1194046864.db2.gz CWLGWEDCSODCGK-QGZVFWFLSA-N 2 0 392.500 0.210 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419507175 1194047789 /nfs/dbraw/zinc/04/77/89/1194047789.db2.gz OCUIHRBXHGWOPX-SZMVWBNQSA-N 2 0 388.512 0.854 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000419530680 1194049472 /nfs/dbraw/zinc/04/94/72/1194049472.db2.gz JWUCVUPBEMHUEJ-JCHJZTRSSA-N 2 0 388.512 0.588 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000419511703 1194050136 /nfs/dbraw/zinc/05/01/36/1194050136.db2.gz IXACSMHHWAIUMR-GOSISDBHSA-N 2 0 387.528 0.431 20 0 GCADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000419514687 1194051937 /nfs/dbraw/zinc/05/19/37/1194051937.db2.gz PJKCCESUGOMXCA-JKSUJKDBSA-N 2 0 379.505 0.619 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000419523115 1194053662 /nfs/dbraw/zinc/05/36/62/1194053662.db2.gz ACAOBCBMWISIOB-SFHVURJKSA-N 2 0 376.501 0.680 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000419544760 1194056695 /nfs/dbraw/zinc/05/66/95/1194056695.db2.gz LJRSNFOOYWNPBO-UAGQMJEPSA-N 2 0 382.549 0.824 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000419548466 1194057365 /nfs/dbraw/zinc/05/73/65/1194057365.db2.gz RHPXNUQYTSXVAQ-CHWSQXEVSA-N 2 0 395.470 0.031 20 0 GCADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419556890 1194058522 /nfs/dbraw/zinc/05/85/22/1194058522.db2.gz LCSJODKWPAQBQI-ARFHVFGLSA-N 2 0 393.557 0.989 20 0 GCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000419565652 1194061786 /nfs/dbraw/zinc/06/17/86/1194061786.db2.gz ZXHYYNRAEAGYDI-LJIGWXMPSA-N 2 0 376.526 0.925 20 0 GCADRP CC1(C)CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000419602145 1194064641 /nfs/dbraw/zinc/06/46/41/1194064641.db2.gz OCAPUHLWEYCDIX-UHFFFAOYSA-N 2 0 388.512 0.470 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000419592827 1194067274 /nfs/dbraw/zinc/06/72/74/1194067274.db2.gz XIPJOEQOTSLICE-MDZRGWNJSA-N 2 0 382.574 0.921 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419594720 1194068001 /nfs/dbraw/zinc/06/80/01/1194068001.db2.gz UYPWPQDQIQHJJZ-RCCFBDPRSA-N 2 0 380.533 0.722 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419597326 1194068728 /nfs/dbraw/zinc/06/87/28/1194068728.db2.gz GRBMPKRLIJFITB-SFHVURJKSA-N 2 0 388.512 0.599 20 0 GCADRP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C(=O)N(C)CC[NH3+])cc2)C[C@H]1C ZINC000419601568 1194069809 /nfs/dbraw/zinc/06/98/09/1194069809.db2.gz WTPMZKNZKHELRD-IAGOWNOFSA-N 2 0 390.528 0.729 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419657723 1194074563 /nfs/dbraw/zinc/07/45/63/1194074563.db2.gz JVYRMHIIKADTOQ-RDJZCZTQSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419649499 1194076976 /nfs/dbraw/zinc/07/69/76/1194076976.db2.gz BWMABNBTDKYCPH-NVXWUHKLSA-N 2 0 376.501 0.481 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000419662377 1194077489 /nfs/dbraw/zinc/07/74/89/1194077489.db2.gz OJIWZGKZTHXCGN-NRFANRHFSA-N 2 0 390.528 0.792 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C[NH3+] ZINC000419666254 1194078151 /nfs/dbraw/zinc/07/81/51/1194078151.db2.gz VQQXJFZRYACKGJ-APWZRJJASA-N 2 0 390.528 0.872 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000419666702 1194078297 /nfs/dbraw/zinc/07/82/97/1194078297.db2.gz WHCMEDBMOJVAIS-QAPCUYQASA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419668439 1194078763 /nfs/dbraw/zinc/07/87/63/1194078763.db2.gz YKLKSCTXJQRDOG-AEFFLSMTSA-N 2 0 390.528 0.872 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419668441 1194078885 /nfs/dbraw/zinc/07/88/85/1194078885.db2.gz YKLKSCTXJQRDOG-FUHWJXTLSA-N 2 0 390.528 0.872 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419706341 1194083064 /nfs/dbraw/zinc/08/30/64/1194083064.db2.gz KDIRLFHNRMPUOR-CYGHRXIMSA-N 2 0 388.512 0.995 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419708203 1194083849 /nfs/dbraw/zinc/08/38/49/1194083849.db2.gz GYKWOPSPSSYJEX-WMLDXEAASA-N 2 0 376.501 0.636 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419689048 1194084860 /nfs/dbraw/zinc/08/48/60/1194084860.db2.gz IBYPCVHONOSJPD-HUUCEWRRSA-N 2 0 398.573 0.693 20 0 GCADRP COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OCC[NH+](C)C ZINC000419686360 1194085022 /nfs/dbraw/zinc/08/50/22/1194085022.db2.gz XKLIQBVPHMIMHV-OAHLLOKOSA-N 2 0 390.484 0.927 20 0 GCADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419689666 1194085242 /nfs/dbraw/zinc/08/52/42/1194085242.db2.gz JKIIOXZQWBDMAD-LJQANCHMSA-N 2 0 387.528 0.260 20 0 GCADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419693929 1194086031 /nfs/dbraw/zinc/08/60/31/1194086031.db2.gz OMOAEPKJMBEEBF-IBGZPJMESA-N 2 0 387.528 0.179 20 0 GCADRP C[C@]1(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC[NH2+]C1 ZINC000419696181 1194086884 /nfs/dbraw/zinc/08/68/84/1194086884.db2.gz UXFDZDCQSZRWKX-SFHVURJKSA-N 2 0 382.574 0.970 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000419695103 1194086950 /nfs/dbraw/zinc/08/69/50/1194086950.db2.gz RINYSIWFZWRIRT-CVEARBPZSA-N 2 0 398.573 0.429 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419735401 1194088356 /nfs/dbraw/zinc/08/83/56/1194088356.db2.gz QHFZCNLKRQAUKZ-IPMKNSEASA-N 2 0 392.544 0.864 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000419731807 1194089212 /nfs/dbraw/zinc/08/92/12/1194089212.db2.gz RMJZLHXZOYICKV-RBUKOAKNSA-N 2 0 384.480 0.793 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419744198 1194094538 /nfs/dbraw/zinc/09/45/38/1194094538.db2.gz MUEJVCVLEQLZBB-HNNXBMFYSA-N 2 0 395.935 0.822 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H](C)[NH2+]1 ZINC000419742292 1194094553 /nfs/dbraw/zinc/09/45/53/1194094553.db2.gz DSTXOACKJVIOJL-HZPDHXFCSA-N 2 0 388.512 0.468 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419741684 1194094565 /nfs/dbraw/zinc/09/45/65/1194094565.db2.gz IRRROXCFHTWDNJ-CQSZACIVSA-N 2 0 381.908 0.432 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419742556 1194094609 /nfs/dbraw/zinc/09/46/09/1194094609.db2.gz JYVBCRXPXXOIIH-OAHLLOKOSA-N 2 0 395.935 0.679 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CCCC2)CC1 ZINC000419751230 1194096849 /nfs/dbraw/zinc/09/68/49/1194096849.db2.gz JXTMPFFLIAGIGI-JKSUJKDBSA-N 2 0 380.533 0.735 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CCCC2)CC1 ZINC000419752197 1194096919 /nfs/dbraw/zinc/09/69/19/1194096919.db2.gz LVTKLGONAFTRSQ-UHFFFAOYSA-N 2 0 380.533 0.737 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CCCC2)CC1 ZINC000419753994 1194097739 /nfs/dbraw/zinc/09/77/39/1194097739.db2.gz OISUJLBYZLCAFE-CVEARBPZSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000501260964 1194097978 /nfs/dbraw/zinc/09/79/78/1194097978.db2.gz LAJOEFLVWAQSGT-OAHLLOKOSA-N 2 0 389.500 0.469 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000419739003 1194099774 /nfs/dbraw/zinc/09/97/74/1194099774.db2.gz ZRGCLGDWCPXOFQ-MRXNPFEDSA-N 2 0 376.501 0.680 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000419769818 1194101987 /nfs/dbraw/zinc/10/19/87/1194101987.db2.gz WDQJGFFFPCSUJQ-OALUTQOASA-N 2 0 388.512 0.508 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000419769823 1194102094 /nfs/dbraw/zinc/10/20/94/1194102094.db2.gz WDQJGFFFPCSUJQ-RTBURBONSA-N 2 0 388.512 0.508 20 0 GCADRP CS[C@@H](C)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419773693 1194102900 /nfs/dbraw/zinc/10/29/00/1194102900.db2.gz ZZCXAYAWEMGVOP-HNNXBMFYSA-N 2 0 378.542 0.964 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCOCC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000419775205 1194103627 /nfs/dbraw/zinc/10/36/27/1194103627.db2.gz KREVAXVVDXBPFW-UHFFFAOYSA-N 2 0 398.454 0.494 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C(C)C ZINC000419792784 1194104406 /nfs/dbraw/zinc/10/44/06/1194104406.db2.gz AIXOLTQBIOXELC-ROUUACIJSA-N 2 0 382.549 0.966 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)C(C)C ZINC000419794912 1194105019 /nfs/dbraw/zinc/10/50/19/1194105019.db2.gz HYLMYSJFDHXECI-ZWKOTPCHSA-N 2 0 382.549 0.966 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419801027 1194105893 /nfs/dbraw/zinc/10/58/93/1194105893.db2.gz IYMPMFGISVYOPJ-ROUUACIJSA-N 2 0 393.576 0.781 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000419818035 1194109203 /nfs/dbraw/zinc/10/92/03/1194109203.db2.gz IYRYGEIOUZEMQF-FHLIZLRMSA-N 2 0 376.476 0.927 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000419821506 1194110163 /nfs/dbraw/zinc/11/01/63/1194110163.db2.gz OQHWWQJYZAQKSG-QZTJIDSGSA-N 2 0 390.484 0.053 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCCCC1 ZINC000419827377 1194111621 /nfs/dbraw/zinc/11/16/21/1194111621.db2.gz SXSYMTHIGDZWSE-MRXNPFEDSA-N 2 0 391.520 0.281 20 0 GCADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419846584 1194113943 /nfs/dbraw/zinc/11/39/43/1194113943.db2.gz ACJKPVSSIBVZAD-UHFFFAOYSA-N 2 0 387.528 0.131 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419850361 1194115227 /nfs/dbraw/zinc/11/52/27/1194115227.db2.gz FXLBGBJTNNPMGJ-HKUYNNGSSA-N 2 0 387.528 0.177 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419836796 1194117722 /nfs/dbraw/zinc/11/77/22/1194117722.db2.gz CFGJWBCGEJEHQL-LJQANCHMSA-N 2 0 387.528 0.131 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000419855050 1194122166 /nfs/dbraw/zinc/12/21/66/1194122166.db2.gz HERLIAMYAVUEHL-KRWDZBQOSA-N 2 0 379.549 0.119 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419858417 1194122946 /nfs/dbraw/zinc/12/29/46/1194122946.db2.gz LUBLFODBAROKRI-HNNXBMFYSA-N 2 0 382.455 0.971 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000419858152 1194123150 /nfs/dbraw/zinc/12/31/50/1194123150.db2.gz WBHCBQMZTNNNAW-UHFFFAOYSA-N 2 0 393.576 0.560 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419858434 1194123192 /nfs/dbraw/zinc/12/31/92/1194123192.db2.gz WNFDOMHRHHLQNA-SFHVURJKSA-N 2 0 381.565 0.271 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000419861089 1194124051 /nfs/dbraw/zinc/12/40/51/1194124051.db2.gz DLBUOJRVZNHHAT-IBGZPJMESA-N 2 0 389.544 0.379 20 0 GCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868196 1194126934 /nfs/dbraw/zinc/12/69/34/1194126934.db2.gz LRTNHMKNRHDJCV-ZWKOTPCHSA-N 2 0 379.549 0.121 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000419874175 1194129024 /nfs/dbraw/zinc/12/90/24/1194129024.db2.gz NHBVIPZOJSFBBN-NZSAHSFTSA-N 2 0 386.496 0.564 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000419875340 1194129123 /nfs/dbraw/zinc/12/91/23/1194129123.db2.gz DWIABKMIBQTHQU-SNRMKQJTSA-N 2 0 388.512 0.667 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419878246 1194129982 /nfs/dbraw/zinc/12/99/82/1194129982.db2.gz FZPYTLOIQQMANF-YWTNHNAXSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419884534 1194132871 /nfs/dbraw/zinc/13/28/71/1194132871.db2.gz OBNSWDGVWOWNJH-SFHVURJKSA-N 2 0 393.576 0.511 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000419886112 1194133084 /nfs/dbraw/zinc/13/30/84/1194133084.db2.gz KLHMQXKFLSMTPT-RDGPPVDQSA-N 2 0 393.576 0.508 20 0 GCADRP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419894824 1194135105 /nfs/dbraw/zinc/13/51/05/1194135105.db2.gz RJCVWVRMBZTPJP-BHIYHBOVSA-N 2 0 393.576 0.650 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419898436 1194137027 /nfs/dbraw/zinc/13/70/27/1194137027.db2.gz ZTRRJQQSFFWTIQ-GOSISDBHSA-N 2 0 387.528 0.131 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000419914276 1194137960 /nfs/dbraw/zinc/13/79/60/1194137960.db2.gz BQPNAIUUMXYLSI-APWZRJJASA-N 2 0 387.528 0.430 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419923073 1194139305 /nfs/dbraw/zinc/13/93/05/1194139305.db2.gz APVUUEQMYFHRGT-OAHLLOKOSA-N 2 0 375.473 0.245 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419950375 1194143330 /nfs/dbraw/zinc/14/33/30/1194143330.db2.gz MEUQAXOMWGZQBF-SFHVURJKSA-N 2 0 389.544 0.234 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)c1 ZINC000419968829 1194149698 /nfs/dbraw/zinc/14/96/98/1194149698.db2.gz QVNOKMRUEITDHK-KRWDZBQOSA-N 2 0 389.500 0.763 20 0 GCADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000419973075 1194150261 /nfs/dbraw/zinc/15/02/61/1194150261.db2.gz FUYMFFIIRNWTKH-FUHWJXTLSA-N 2 0 380.533 0.581 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420000277 1194155399 /nfs/dbraw/zinc/15/53/99/1194155399.db2.gz SXJZYJBZRHNPOZ-DBXWQHBBSA-N 2 0 388.512 0.325 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419999550 1194155731 /nfs/dbraw/zinc/15/57/31/1194155731.db2.gz NAHYEWAYWPASTR-NQIIRXRSSA-N 2 0 388.512 0.340 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419999549 1194155737 /nfs/dbraw/zinc/15/57/37/1194155737.db2.gz NAHYEWAYWPASTR-GHTZIAJQSA-N 2 0 388.512 0.340 20 0 GCADRP CN1CCC(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000420005567 1194156598 /nfs/dbraw/zinc/15/65/98/1194156598.db2.gz WUVVUYKBKHBGDV-SFHVURJKSA-N 2 0 393.576 0.559 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420027540 1194159595 /nfs/dbraw/zinc/15/95/95/1194159595.db2.gz CMSJIWDUOXYMMH-RBUKOAKNSA-N 2 0 394.560 0.971 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000420030688 1194160996 /nfs/dbraw/zinc/16/09/96/1194160996.db2.gz GRGJBNVRXVFRGP-YOEHRIQHSA-N 2 0 394.491 0.945 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCN1CC(C)(C)O ZINC000420036474 1194161556 /nfs/dbraw/zinc/16/15/56/1194161556.db2.gz FRKWLMHRRBKLEY-MRXNPFEDSA-N 2 0 382.549 0.719 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000420011856 1194161643 /nfs/dbraw/zinc/16/16/43/1194161643.db2.gz IOUQZEVHNKNBFS-QZTJIDSGSA-N 2 0 375.517 0.994 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420019078 1194162551 /nfs/dbraw/zinc/16/25/51/1194162551.db2.gz QPVWRUKVLPBGCT-PSBWJHGTSA-N 2 0 394.560 0.968 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420017866 1194162757 /nfs/dbraw/zinc/16/27/57/1194162757.db2.gz OOQAWXARJNZBQL-WMZOPIPTSA-N 2 0 382.549 0.970 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420019077 1194162784 /nfs/dbraw/zinc/16/27/84/1194162784.db2.gz QPVWRUKVLPBGCT-OGWHTMIXSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040225 1194166112 /nfs/dbraw/zinc/16/61/12/1194166112.db2.gz KRCFHGUPIRRCFC-INIZCTEOSA-N 2 0 382.549 0.719 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000420046326 1194168012 /nfs/dbraw/zinc/16/80/12/1194168012.db2.gz BNCZYPOKIADHPA-MAUKXSAKSA-N 2 0 379.549 0.247 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000420049307 1194169451 /nfs/dbraw/zinc/16/94/51/1194169451.db2.gz ZCCBTVSDWJQXQL-UHFFFAOYSA-N 2 0 382.549 0.984 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000420055151 1194170854 /nfs/dbraw/zinc/17/08/54/1194170854.db2.gz HQBKFFUILLXIRY-UKRRQHHQSA-N 2 0 382.530 0.868 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420089152 1194171958 /nfs/dbraw/zinc/17/19/58/1194171958.db2.gz JFNBYRUEDHBRKS-HOTGVXAUSA-N 2 0 380.533 0.722 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000420078733 1194173907 /nfs/dbraw/zinc/17/39/07/1194173907.db2.gz FUNVYAVXSSNYPA-UHFFFAOYSA-N 2 0 381.565 0.496 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000420107025 1194180215 /nfs/dbraw/zinc/18/02/15/1194180215.db2.gz WVXCAPFWCYRNGM-YEWWUXTCSA-N 2 0 394.466 0.937 20 0 GCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420119170 1194187032 /nfs/dbraw/zinc/18/70/32/1194187032.db2.gz NEXKAVFMLUFYCT-MMOPVJDHSA-N 2 0 388.512 0.196 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000420161007 1194191231 /nfs/dbraw/zinc/19/12/31/1194191231.db2.gz JNIAZOUUSQHYHD-IRXDYDNUSA-N 2 0 379.549 0.310 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000420162368 1194191726 /nfs/dbraw/zinc/19/17/26/1194191726.db2.gz KKLAUNUDPBIYLT-KZNAEPCWSA-N 2 0 393.576 0.365 20 0 GCADRP COc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000420142150 1194192388 /nfs/dbraw/zinc/19/23/88/1194192388.db2.gz ZVUSTYJQBBCRNQ-FUHWJXTLSA-N 2 0 388.512 0.986 20 0 GCADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420178889 1194195871 /nfs/dbraw/zinc/19/58/71/1194195871.db2.gz BFRHEMUAPOTNBC-OALUTQOASA-N 2 0 388.512 0.604 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000501586428 1194195919 /nfs/dbraw/zinc/19/59/19/1194195919.db2.gz FMDVZPYAOMCLBV-JKSUJKDBSA-N 2 0 382.549 0.696 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420182092 1194197711 /nfs/dbraw/zinc/19/77/11/1194197711.db2.gz FEYPJGKMKOLSQM-OTWHNJEPSA-N 2 0 386.496 0.072 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1)CC1CC1 ZINC000420183503 1194197767 /nfs/dbraw/zinc/19/77/67/1194197767.db2.gz HAGHUUULMMXCRE-IBGZPJMESA-N 2 0 394.560 0.842 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420186100 1194199028 /nfs/dbraw/zinc/19/90/28/1194199028.db2.gz PSYKULHVABOENH-MJGOQNOKSA-N 2 0 390.528 0.850 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420174464 1194201389 /nfs/dbraw/zinc/20/13/89/1194201389.db2.gz YPDHFVPCJSRXNE-IAGOWNOFSA-N 2 0 380.533 0.452 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420174613 1194201409 /nfs/dbraw/zinc/20/14/09/1194201409.db2.gz YVBKLUXURNIDCG-QGZVFWFLSA-N 2 0 389.500 0.633 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420174755 1194201626 /nfs/dbraw/zinc/20/16/26/1194201626.db2.gz ZDKUYLBKFGOASF-GOSISDBHSA-N 2 0 394.560 0.984 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000420174190 1194201899 /nfs/dbraw/zinc/20/18/99/1194201899.db2.gz YFQFZKDHLDHHPB-SJORKVTESA-N 2 0 379.549 0.119 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420203821 1194204700 /nfs/dbraw/zinc/20/47/00/1194204700.db2.gz ZWCSNVMPXHZZRZ-SFHVURJKSA-N 2 0 398.548 0.078 20 0 GCADRP COC[C@H](C)N(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420206358 1194205612 /nfs/dbraw/zinc/20/56/12/1194205612.db2.gz OUTNIIACUZRJHK-INIZCTEOSA-N 2 0 376.501 0.589 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420188581 1194206022 /nfs/dbraw/zinc/20/60/22/1194206022.db2.gz NHMMFZMFCZAXQX-PKOBYXMFSA-N 2 0 388.512 0.604 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000420189284 1194206365 /nfs/dbraw/zinc/20/63/65/1194206365.db2.gz DHKRYTUEMDREQO-IBGZPJMESA-N 2 0 388.512 0.258 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420222851 1194210456 /nfs/dbraw/zinc/21/04/56/1194210456.db2.gz TZMKSTNCLVRTIQ-KURKYZTESA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420209537 1194211486 /nfs/dbraw/zinc/21/14/86/1194211486.db2.gz SZVOJMGSWCJDEL-SJORKVTESA-N 2 0 388.512 0.732 20 0 GCADRP CCN(CC(C)(C)O)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420208933 1194212171 /nfs/dbraw/zinc/21/21/71/1194212171.db2.gz SORCSVIEHNRMCG-UHFFFAOYSA-N 2 0 390.528 0.716 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000420210713 1194212873 /nfs/dbraw/zinc/21/28/73/1194212873.db2.gz SLQKXRZHFPNIBV-PSBWJHGTSA-N 2 0 394.560 0.968 20 0 GCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000420213133 1194213275 /nfs/dbraw/zinc/21/32/75/1194213275.db2.gz YLRZEYFENOYRQN-ABHNRTSZSA-N 2 0 380.533 0.450 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCCO1 ZINC000501619564 1194214454 /nfs/dbraw/zinc/21/44/54/1194214454.db2.gz CCCAJQWVROXVJI-MJGOQNOKSA-N 2 0 394.560 0.984 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501617837 1194214704 /nfs/dbraw/zinc/21/47/04/1194214704.db2.gz YZKTVZNOKOKJFU-KRWDZBQOSA-N 2 0 380.533 0.546 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501619800 1194215045 /nfs/dbraw/zinc/21/50/45/1194215045.db2.gz YCWYCADIRLBJPP-GOSISDBHSA-N 2 0 394.560 0.936 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501636259 1194216876 /nfs/dbraw/zinc/21/68/76/1194216876.db2.gz HTYGJOMLYQZUHV-GOSISDBHSA-N 2 0 394.560 0.672 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501651818 1194218812 /nfs/dbraw/zinc/21/88/12/1194218812.db2.gz YLEVNJDUKWASIQ-SJLPKXTDSA-N 2 0 394.560 0.840 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501649279 1194219140 /nfs/dbraw/zinc/21/91/40/1194219140.db2.gz SKSABOFXIRLHED-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP C[N@H+](CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C[C@H](O)C[NH3+] ZINC000420358747 1194224007 /nfs/dbraw/zinc/22/40/07/1194224007.db2.gz UUQHDXOIBKOHAZ-OAHLLOKOSA-N 2 0 384.502 0.051 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000501733393 1194224675 /nfs/dbraw/zinc/22/46/75/1194224675.db2.gz SHASIBNAYHFOCE-HKUYNNGSSA-N 2 0 390.528 0.708 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000420380831 1194225306 /nfs/dbraw/zinc/22/53/06/1194225306.db2.gz OKARFPWOGFNGTQ-OCCSQVGLSA-N 2 0 380.411 0.983 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000421168042 1194300815 /nfs/dbraw/zinc/30/08/15/1194300815.db2.gz MBABQZYKCNCINP-QGZVFWFLSA-N 2 0 388.516 0.002 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000421407666 1194337134 /nfs/dbraw/zinc/33/71/34/1194337134.db2.gz MGPNRKZAZDYNDS-KRWDZBQOSA-N 2 0 376.501 0.796 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000422114604 1194393399 /nfs/dbraw/zinc/39/33/99/1194393399.db2.gz JBFXGGSWUKKSER-KRWDZBQOSA-N 2 0 380.533 0.642 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422116779 1194394469 /nfs/dbraw/zinc/39/44/69/1194394469.db2.gz LFIFWUSSUPKTSZ-QGZVFWFLSA-N 2 0 382.549 0.888 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC1=O ZINC000271765801 1194411407 /nfs/dbraw/zinc/41/14/07/1194411407.db2.gz PROYYJPVFIUYBB-QGZVFWFLSA-N 2 0 388.512 0.992 20 0 GCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000273042092 1194533354 /nfs/dbraw/zinc/53/33/54/1194533354.db2.gz GIOGTPNMJZHLNB-RLLQIKCJSA-N 2 0 375.513 0.954 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC2)CC1 ZINC000422273095 1194598111 /nfs/dbraw/zinc/59/81/11/1194598111.db2.gz ULNMZXRDTCOXBO-KRWDZBQOSA-N 2 0 381.565 0.461 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)CC1 ZINC000422307799 1194616501 /nfs/dbraw/zinc/61/65/01/1194616501.db2.gz OQICLYVHDNGPIW-QGZVFWFLSA-N 2 0 393.576 0.604 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000422378181 1194626979 /nfs/dbraw/zinc/62/69/79/1194626979.db2.gz LTGJEBPEGKMURP-OALUTQOASA-N 2 0 388.512 0.422 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000422395132 1194635366 /nfs/dbraw/zinc/63/53/66/1194635366.db2.gz IMJCEHHRFYZKGQ-FHWLQOOXSA-N 2 0 394.560 0.812 20 0 GCADRP CCOC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)nc1 ZINC000414677428 1194680497 /nfs/dbraw/zinc/68/04/97/1194680497.db2.gz OUPOCMBQVMTKRR-INIZCTEOSA-N 2 0 389.500 0.578 20 0 GCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422642516 1194681204 /nfs/dbraw/zinc/68/12/04/1194681204.db2.gz ZMIUTWBFIVGNEY-VYDXJSESSA-N 2 0 396.557 0.688 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000422697492 1194689653 /nfs/dbraw/zinc/68/96/53/1194689653.db2.gz USZQUTXBXCALPO-KRWDZBQOSA-N 2 0 390.532 0.510 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000422880828 1194705042 /nfs/dbraw/zinc/70/50/42/1194705042.db2.gz OVKPAVYEIJCQOU-IAGOWNOFSA-N 2 0 382.549 0.840 20 0 GCADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422892878 1194707768 /nfs/dbraw/zinc/70/77/68/1194707768.db2.gz ZNXAONHSSBPMNA-IPMKNSEASA-N 2 0 388.512 0.767 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)CC[NH2+]CC1 ZINC000422993369 1194713751 /nfs/dbraw/zinc/71/37/51/1194713751.db2.gz SPZBZSLIYLRWKR-CABCVRRESA-N 2 0 377.489 0.745 20 0 GCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423012492 1194717439 /nfs/dbraw/zinc/71/74/39/1194717439.db2.gz DEQQDMPKRURFLM-OAHLLOKOSA-N 2 0 382.530 0.605 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423066948 1194723769 /nfs/dbraw/zinc/72/37/69/1194723769.db2.gz YGRMBKWWQCKOLO-QZTJIDSGSA-N 2 0 382.549 0.778 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000423066947 1194723895 /nfs/dbraw/zinc/72/38/95/1194723895.db2.gz YGRMBKWWQCKOLO-MSOLQXFVSA-N 2 0 382.549 0.778 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423084568 1194726438 /nfs/dbraw/zinc/72/64/38/1194726438.db2.gz IJGFGSIFFWADFL-IBGZPJMESA-N 2 0 393.576 0.463 20 0 GCADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423089820 1194726971 /nfs/dbraw/zinc/72/69/71/1194726971.db2.gz WCLJTVJTDXKJSN-SFHVURJKSA-N 2 0 379.549 0.073 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423120168 1194728225 /nfs/dbraw/zinc/72/82/25/1194728225.db2.gz FTXPDWFMQQOIGT-JCGIZDLHSA-N 2 0 376.476 0.879 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423167284 1194735004 /nfs/dbraw/zinc/73/50/04/1194735004.db2.gz RXTGDLJKUSITCW-IRXDYDNUSA-N 2 0 376.476 0.784 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423171573 1194735171 /nfs/dbraw/zinc/73/51/71/1194735171.db2.gz PAEXRMAIKICGSZ-QGZVFWFLSA-N 2 0 379.549 0.073 20 0 GCADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000423173217 1194735399 /nfs/dbraw/zinc/73/53/99/1194735399.db2.gz XMDIKXBLOFDCQZ-KRWDZBQOSA-N 2 0 394.560 0.781 20 0 GCADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423175151 1194735539 /nfs/dbraw/zinc/73/55/39/1194735539.db2.gz DGEFRDLHFKMXPO-KRWDZBQOSA-N 2 0 396.557 0.653 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423208376 1194736530 /nfs/dbraw/zinc/73/65/30/1194736530.db2.gz HTVJLJOZWFZMPC-ZWKOTPCHSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000423212107 1194737418 /nfs/dbraw/zinc/73/74/18/1194737418.db2.gz LOJYGZNKUFJHCK-KURKYZTESA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423212066 1194737533 /nfs/dbraw/zinc/73/75/33/1194737533.db2.gz ZOGHUPAHCWCXAI-KZNAEPCWSA-N 2 0 394.560 0.922 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423210818 1194737552 /nfs/dbraw/zinc/73/75/52/1194737552.db2.gz XPVFCOXXUAHIPX-SJORKVTESA-N 2 0 376.476 0.784 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423212105 1194737557 /nfs/dbraw/zinc/73/75/57/1194737557.db2.gz LOJYGZNKUFJHCK-KSZLIROESA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423200293 1194738550 /nfs/dbraw/zinc/73/85/50/1194738550.db2.gz FJHPNSOBQABMIM-DLBZAZTESA-N 2 0 376.476 0.784 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423203645 1194739445 /nfs/dbraw/zinc/73/94/45/1194739445.db2.gz CSEVIGWHOSKNNX-MKXGPGLRSA-N 2 0 393.576 0.447 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423206544 1194739821 /nfs/dbraw/zinc/73/98/21/1194739821.db2.gz GBRBJWXFGAHDFY-ROUUACIJSA-N 2 0 380.533 0.546 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214495 1194740285 /nfs/dbraw/zinc/74/02/85/1194740285.db2.gz OYZODHGHPISHRB-KSZLIROESA-N 2 0 379.549 0.214 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000423214542 1194740423 /nfs/dbraw/zinc/74/04/23/1194740423.db2.gz PCASWHUNRPNSIA-QRVBRYPASA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423214072 1194740467 /nfs/dbraw/zinc/74/04/67/1194740467.db2.gz OJNJXVSWAHAQLK-QKLQHJQFSA-N 2 0 379.549 0.201 20 0 GCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000423258863 1194744267 /nfs/dbraw/zinc/74/42/67/1194744267.db2.gz MVVNCPOPHDHIIF-SFHVURJKSA-N 2 0 376.501 0.461 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423260713 1194744455 /nfs/dbraw/zinc/74/44/55/1194744455.db2.gz IFEZSKOVWAICEN-UHFFFAOYSA-N 2 0 382.549 0.795 20 0 GCADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423294390 1194747509 /nfs/dbraw/zinc/74/75/09/1194747509.db2.gz UJSVSPKIQAPAIN-NEWSRXKRSA-N 2 0 388.512 0.684 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423373374 1194750595 /nfs/dbraw/zinc/75/05/95/1194750595.db2.gz BRLIFTSVWKGIFG-WMZOPIPTSA-N 2 0 392.544 0.546 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423370748 1194751599 /nfs/dbraw/zinc/75/15/99/1194751599.db2.gz HCQNVKRRWGPQTP-MJGOQNOKSA-N 2 0 388.512 0.686 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423379936 1194751937 /nfs/dbraw/zinc/75/19/37/1194751937.db2.gz MITATKOSGHKWJS-AEFFLSMTSA-N 2 0 381.565 0.445 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000423376612 1194752096 /nfs/dbraw/zinc/75/20/96/1194752096.db2.gz JMVSRWLMAQRAAC-ZACQAIPSSA-N 2 0 379.549 0.057 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423388071 1194752851 /nfs/dbraw/zinc/75/28/51/1194752851.db2.gz MPAKFZXQPYFVOC-KSZLIROESA-N 2 0 392.544 0.546 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000423391553 1194752888 /nfs/dbraw/zinc/75/28/88/1194752888.db2.gz XBKWSPDFMMFXIR-GQIGUUNPSA-N 2 0 379.549 0.057 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000423388520 1194752961 /nfs/dbraw/zinc/75/29/61/1194752961.db2.gz MWURHCWUINYVRZ-INIZCTEOSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423392832 1194753410 /nfs/dbraw/zinc/75/34/10/1194753410.db2.gz QSQPZJLUEMYANF-LAQRGFTBSA-N 2 0 378.517 0.284 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423397505 1194753705 /nfs/dbraw/zinc/75/37/05/1194753705.db2.gz SLZGZQPHPVDVFG-IRXDYDNUSA-N 2 0 380.533 0.533 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423411493 1194754992 /nfs/dbraw/zinc/75/49/92/1194754992.db2.gz FSRWCGDUBFERFY-QGZVFWFLSA-N 2 0 393.536 0.481 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423409031 1194754998 /nfs/dbraw/zinc/75/49/98/1194754998.db2.gz BGDSZQXPFRZKSL-QGZVFWFLSA-N 2 0 393.536 0.481 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423447436 1194755770 /nfs/dbraw/zinc/75/57/70/1194755770.db2.gz OZYSAPTUVIWZCW-SFHVURJKSA-N 2 0 398.548 0.160 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000423450807 1194756144 /nfs/dbraw/zinc/75/61/44/1194756144.db2.gz UFWIDKMPYLCNKX-SFHVURJKSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[C@@H]1[NH3+] ZINC000423449313 1194756218 /nfs/dbraw/zinc/75/62/18/1194756218.db2.gz RJEHSQRVXQIEDX-WMZOPIPTSA-N 2 0 380.533 0.533 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423452091 1194756405 /nfs/dbraw/zinc/75/64/05/1194756405.db2.gz VXMNOWHIDDLTQC-OALUTQOASA-N 2 0 394.560 0.651 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423432902 1194756838 /nfs/dbraw/zinc/75/68/38/1194756838.db2.gz BUADTNKJLAEREJ-WMZOPIPTSA-N 2 0 382.549 0.779 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423432893 1194756874 /nfs/dbraw/zinc/75/68/74/1194756874.db2.gz BUADTNKJLAEREJ-AEFFLSMTSA-N 2 0 382.549 0.779 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)C[C@H]21 ZINC000423432450 1194756877 /nfs/dbraw/zinc/75/68/77/1194756877.db2.gz OKKBUKHXXLTHOR-QXAKKESOSA-N 2 0 392.544 0.676 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000423437534 1194757123 /nfs/dbraw/zinc/75/71/23/1194757123.db2.gz UHQGBDUZNBKHKW-IRXDYDNUSA-N 2 0 380.533 0.533 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000423435258 1194757241 /nfs/dbraw/zinc/75/72/41/1194757241.db2.gz DMYDHNVVCMWJJL-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423434916 1194757293 /nfs/dbraw/zinc/75/72/93/1194757293.db2.gz YOUSSKOBNZCPPW-GOSISDBHSA-N 2 0 382.549 0.923 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000423471253 1194758537 /nfs/dbraw/zinc/75/85/37/1194758537.db2.gz FDCQEAZSAVAQQO-NVXWUHKLSA-N 2 0 376.501 0.781 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1)CC1CC1 ZINC000423479323 1194758967 /nfs/dbraw/zinc/75/89/67/1194758967.db2.gz VCDBFXVQCSCTII-IBGZPJMESA-N 2 0 394.560 0.923 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423504645 1194760029 /nfs/dbraw/zinc/76/00/29/1194760029.db2.gz NOOHBFIKCXJKLV-IRXDYDNUSA-N 2 0 394.560 0.922 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423504643 1194760149 /nfs/dbraw/zinc/76/01/49/1194760149.db2.gz NOOHBFIKCXJKLV-CALCHBBNSA-N 2 0 394.560 0.922 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)C1 ZINC000423505873 1194760160 /nfs/dbraw/zinc/76/01/60/1194760160.db2.gz HMXYFGKFOPMZSW-NEWSRXKRSA-N 2 0 393.576 0.602 20 0 GCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423482010 1194760221 /nfs/dbraw/zinc/76/02/21/1194760221.db2.gz XIKUEGKXIUBKRU-ZDUSSCGKSA-N 2 0 382.427 0.295 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)C1 ZINC000414747941 1194760675 /nfs/dbraw/zinc/76/06/75/1194760675.db2.gz VLZXKNDVYOGKKR-IBGZPJMESA-N 2 0 385.512 0.923 20 0 GCADRP C[NH2+]C1CCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423497676 1194761101 /nfs/dbraw/zinc/76/11/01/1194761101.db2.gz HFQLMHPUKKBLED-CALCHBBNSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423530892 1194761528 /nfs/dbraw/zinc/76/15/28/1194761528.db2.gz XOXFSSMGSNOIJE-IRXDYDNUSA-N 2 0 382.549 0.779 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423511509 1194761828 /nfs/dbraw/zinc/76/18/28/1194761828.db2.gz TYXUIKWRLNFSRM-ZMMAXQRCSA-N 2 0 394.560 0.920 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423561298 1194764454 /nfs/dbraw/zinc/76/44/54/1194764454.db2.gz GHDBWJHOFJYSTN-HXUWFJFHSA-N 2 0 376.501 0.150 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423589638 1194766570 /nfs/dbraw/zinc/76/65/70/1194766570.db2.gz AIIMLWBQDZIPJR-KSZLIROESA-N 2 0 379.549 0.214 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423594521 1194774985 /nfs/dbraw/zinc/77/49/85/1194774985.db2.gz ODWIPGDPLDOGGT-SFHVURJKSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)[C@@H](C)C[NH2+]1 ZINC000423634939 1194776104 /nfs/dbraw/zinc/77/61/04/1194776104.db2.gz QZTUBISYGCPTNH-KBPBESRZSA-N 2 0 394.438 0.308 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000423646704 1194777610 /nfs/dbraw/zinc/77/76/10/1194777610.db2.gz MFOJLZJBLAAYCU-LJQANCHMSA-N 2 0 387.528 0.212 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCN(c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000423627768 1194778698 /nfs/dbraw/zinc/77/86/98/1194778698.db2.gz JAXUCAOLUXEKBJ-QZTJIDSGSA-N 2 0 387.528 0.476 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423649367 1194779005 /nfs/dbraw/zinc/77/90/05/1194779005.db2.gz JTJOGEWIGPPOLJ-SJLPKXTDSA-N 2 0 380.533 0.533 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423657103 1194779951 /nfs/dbraw/zinc/77/99/51/1194779951.db2.gz VJLVKUPRIYLOBF-IAGOWNOFSA-N 2 0 382.549 0.792 20 0 GCADRP CCCN(C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000423692817 1194783259 /nfs/dbraw/zinc/78/32/59/1194783259.db2.gz GGNUYRYBLXTSEZ-UHFFFAOYSA-N 2 0 380.533 0.548 20 0 GCADRP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423697909 1194783421 /nfs/dbraw/zinc/78/34/21/1194783421.db2.gz NXRAHHNSVMLMQO-MOPGFXCFSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC2)CCO1 ZINC000423695307 1194783450 /nfs/dbraw/zinc/78/34/50/1194783450.db2.gz VMCFATFNEWREHT-KRWDZBQOSA-N 2 0 388.512 0.686 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC000423701203 1194783867 /nfs/dbraw/zinc/78/38/67/1194783867.db2.gz VEAWXVJAMPZWSI-CEXWTWQISA-N 2 0 386.496 0.153 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000423701204 1194783882 /nfs/dbraw/zinc/78/38/82/1194783882.db2.gz VEAWXVJAMPZWSI-GBESFXJTSA-N 2 0 386.496 0.153 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2)CC1 ZINC000423676687 1194784861 /nfs/dbraw/zinc/78/48/61/1194784861.db2.gz GKNDTGQUIVWHAG-IBGZPJMESA-N 2 0 387.528 0.212 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000423706716 1194787127 /nfs/dbraw/zinc/78/71/27/1194787127.db2.gz BZUHOMKFGDKCGQ-UHFFFAOYSA-N 2 0 389.544 0.331 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000423716700 1194788154 /nfs/dbraw/zinc/78/81/54/1194788154.db2.gz IWFNLFJISAYOBA-KSZLIROESA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)[C@@H]1C[NH3+] ZINC000423718730 1194788570 /nfs/dbraw/zinc/78/85/70/1194788570.db2.gz BZXJFGVXWZBCJP-SOLBZPMBSA-N 2 0 379.549 0.199 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000423720667 1194788649 /nfs/dbraw/zinc/78/86/49/1194788649.db2.gz OCCPRMHMWKHJAQ-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423722624 1194789172 /nfs/dbraw/zinc/78/91/72/1194789172.db2.gz GNDZDUQEGAFCTO-MSOLQXFVSA-N 2 0 378.517 0.158 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423724505 1194789320 /nfs/dbraw/zinc/78/93/20/1194789320.db2.gz RLXNNXSRESUXCH-IBGZPJMESA-N 2 0 394.560 0.938 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423745195 1194791084 /nfs/dbraw/zinc/79/10/84/1194791084.db2.gz XCTCFLFBTLNBSB-SJLPKXTDSA-N 2 0 380.533 0.533 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423744673 1194791125 /nfs/dbraw/zinc/79/11/25/1194791125.db2.gz MXBZHRRHYWZEME-SCTDSRPQSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[C@@H]1C[NH3+] ZINC000423747015 1194791543 /nfs/dbraw/zinc/79/15/43/1194791543.db2.gz YTGKSFZARHLYJR-ZWKOTPCHSA-N 2 0 393.576 0.448 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423749262 1194791888 /nfs/dbraw/zinc/79/18/88/1194791888.db2.gz SHIOVNMATITAEP-GOSISDBHSA-N 2 0 380.533 0.548 20 0 GCADRP COCCN1C[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000424016730 1194799286 /nfs/dbraw/zinc/79/92/86/1194799286.db2.gz DOUDDMRNPHVKNF-GOSISDBHSA-N 2 0 388.512 0.591 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424455148 1194813267 /nfs/dbraw/zinc/81/32/67/1194813267.db2.gz MWIMAXCEIHLHLS-INIZCTEOSA-N 2 0 375.517 0.782 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000424454816 1194815141 /nfs/dbraw/zinc/81/51/41/1194815141.db2.gz MEACGXXHPIZHQY-VQIMIIECSA-N 2 0 387.528 0.877 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000424454815 1194815220 /nfs/dbraw/zinc/81/52/20/1194815220.db2.gz MEACGXXHPIZHQY-QFBILLFUSA-N 2 0 387.528 0.877 20 0 GCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424491869 1194816565 /nfs/dbraw/zinc/81/65/65/1194816565.db2.gz GEMDBZITHICROS-IRXDYDNUSA-N 2 0 394.560 0.528 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3([NH+](C)C)CCCCCC3)C[C@H]2[NH3+])cn1 ZINC000424502784 1194818564 /nfs/dbraw/zinc/81/85/64/1194818564.db2.gz HFSDJCISJBTHOO-DLBZAZTESA-N 2 0 390.532 0.444 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424530967 1194819525 /nfs/dbraw/zinc/81/95/25/1194819525.db2.gz WFNOIYKSIHDZAG-MRXNPFEDSA-N 2 0 394.560 0.983 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424545271 1194823317 /nfs/dbraw/zinc/82/33/17/1194823317.db2.gz HSCHNCQEAOGOSO-DLBZAZTESA-N 2 0 376.505 0.054 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424550371 1194823902 /nfs/dbraw/zinc/82/39/02/1194823902.db2.gz NHAZZDICSPIQSJ-HYVNUMGLSA-N 2 0 376.505 0.054 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C4CCCC4)CC3)C[C@H]2[NH3+])cn1 ZINC000424551784 1194824268 /nfs/dbraw/zinc/82/42/68/1194824268.db2.gz PJAFSBSJTAYOSL-ZWKOTPCHSA-N 2 0 388.516 0.196 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424553047 1194824447 /nfs/dbraw/zinc/82/44/47/1194824447.db2.gz QVPGVHOQQZXGDX-KRWDZBQOSA-N 2 0 394.560 0.983 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC[N@H+](C)Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424562858 1194824902 /nfs/dbraw/zinc/82/49/02/1194824902.db2.gz ZOZHOLGJMCWBPN-RBUKOAKNSA-N 2 0 398.511 0.312 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652730093 1194829983 /nfs/dbraw/zinc/82/99/83/1194829983.db2.gz IQNWWVMZSUWNJL-BZSNNMDCSA-N 2 0 392.544 0.818 20 0 GCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000414844824 1194842223 /nfs/dbraw/zinc/84/22/23/1194842223.db2.gz CYQFCJHTBUFTEE-SFHVURJKSA-N 2 0 376.501 0.944 20 0 GCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000414844823 1194842282 /nfs/dbraw/zinc/84/22/82/1194842282.db2.gz CYQFCJHTBUFTEE-GOSISDBHSA-N 2 0 376.501 0.944 20 0 GCADRP C[C@@H](CN1CCOCC1)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514225098 1194858071 /nfs/dbraw/zinc/85/80/71/1194858071.db2.gz LGSGVVJXGPMUNZ-SFHVURJKSA-N 2 0 390.532 0.614 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000514586955 1194885679 /nfs/dbraw/zinc/88/56/79/1194885679.db2.gz GIWMHNVIASDFPX-GOSISDBHSA-N 2 0 381.565 0.957 20 0 GCADRP CC1[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425318704 1194909955 /nfs/dbraw/zinc/90/99/55/1194909955.db2.gz BLTZLRFSHZZQHX-VTYCOLDWSA-N 2 0 388.556 0.974 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435378771 1194925984 /nfs/dbraw/zinc/92/59/84/1194925984.db2.gz GIRGNZDUXCWIRC-GOSISDBHSA-N 2 0 388.512 0.975 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000414868468 1194926991 /nfs/dbraw/zinc/92/69/91/1194926991.db2.gz APJBKLGIGGIBNW-UHFFFAOYSA-N 2 0 390.484 0.533 20 0 GCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000425384157 1194935032 /nfs/dbraw/zinc/93/50/32/1194935032.db2.gz JEYXGNQKYNXVOG-PKOBYXMFSA-N 2 0 392.544 0.642 20 0 GCADRP [NH3+]CCC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000515305887 1194965318 /nfs/dbraw/zinc/96/53/18/1194965318.db2.gz KMYGSRMHIFFCDF-UHFFFAOYSA-N 2 0 388.512 0.836 20 0 GCADRP COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000515500432 1194978558 /nfs/dbraw/zinc/97/85/58/1194978558.db2.gz VUFNUINTTDIXQD-FXAWDEMLSA-N 2 0 390.484 0.122 20 0 GCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000515686337 1194991167 /nfs/dbraw/zinc/99/11/67/1194991167.db2.gz SJLFLSXOAPMNIK-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000286207259 1194997734 /nfs/dbraw/zinc/99/77/34/1194997734.db2.gz YECVEJOROIOLNQ-INIZCTEOSA-N 2 0 378.517 0.926 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000414883667 1195002709 /nfs/dbraw/zinc/00/27/09/1195002709.db2.gz NVOKUNAFCSOBJM-CYBMUJFWSA-N 2 0 388.390 0.940 20 0 GCADRP CN1c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2CC1=O ZINC000516237133 1195035144 /nfs/dbraw/zinc/03/51/44/1195035144.db2.gz KYTJLTCFJLDKRJ-UHFFFAOYSA-N 2 0 375.473 0.096 20 0 GCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000425640433 1195042901 /nfs/dbraw/zinc/04/29/01/1195042901.db2.gz PYQMIIWJVDJIIF-ZWKOTPCHSA-N 2 0 387.532 0.724 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc2)CC1 ZINC000516460176 1195054257 /nfs/dbraw/zinc/05/42/57/1195054257.db2.gz FTIJUPUXLBVRNQ-MOPGFXCFSA-N 2 0 397.527 0.749 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000516558911 1195066955 /nfs/dbraw/zinc/06/69/55/1195066955.db2.gz FZNHRUXBPANXLQ-JFIYKMOQSA-N 2 0 380.533 0.687 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000516771412 1195093631 /nfs/dbraw/zinc/09/36/31/1195093631.db2.gz LVRWXNLZRXMZLK-SFHVURJKSA-N 2 0 377.489 0.009 20 0 GCADRP CC(C)[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000516761641 1195094421 /nfs/dbraw/zinc/09/44/21/1195094421.db2.gz KNSPZZRIOOQEHK-RCCFBDPRSA-N 2 0 377.537 0.128 20 0 GCADRP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000516857941 1195105790 /nfs/dbraw/zinc/10/57/90/1195105790.db2.gz QYBIYCQFPSRXNC-FGTMMUONSA-N 2 0 388.512 0.653 20 0 GCADRP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506052672 1195113719 /nfs/dbraw/zinc/11/37/19/1195113719.db2.gz XGHGLVKSZNAMIZ-MRXNPFEDSA-N 2 0 384.521 0.672 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000516968624 1195118177 /nfs/dbraw/zinc/11/81/77/1195118177.db2.gz KCFYISWIEUPTKL-INIZCTEOSA-N 2 0 375.473 0.774 20 0 GCADRP O=C(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000516964882 1195120117 /nfs/dbraw/zinc/12/01/17/1195120117.db2.gz BASNCXOWYGINFW-NNMXDRDESA-N 2 0 382.508 0.931 20 0 GCADRP CN1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000517020098 1195125176 /nfs/dbraw/zinc/12/51/76/1195125176.db2.gz CLBMYCFKYVZLLT-KRWDZBQOSA-N 2 0 379.549 0.250 20 0 GCADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000517025320 1195125808 /nfs/dbraw/zinc/12/58/08/1195125808.db2.gz NMWAHXXHHSIVFJ-QGZVFWFLSA-N 2 0 388.512 0.651 20 0 GCADRP Cn1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1-c1ccccc1 ZINC000517108679 1195136838 /nfs/dbraw/zinc/13/68/38/1195136838.db2.gz JSZHCLZVTSAAOX-UHFFFAOYSA-N 2 0 386.500 0.977 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000517250458 1195164866 /nfs/dbraw/zinc/16/48/66/1195164866.db2.gz ZOWNHFCFKBGMRL-SFHVURJKSA-N 2 0 381.565 0.223 20 0 GCADRP CN(C(=O)Cc1ccsc1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000517307341 1195169274 /nfs/dbraw/zinc/16/92/74/1195169274.db2.gz MSUDKPQZCBMSGI-UHFFFAOYSA-N 2 0 378.542 0.987 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000517595975 1195195186 /nfs/dbraw/zinc/19/51/86/1195195186.db2.gz IMYUXYREHYXELH-QZTJIDSGSA-N 2 0 381.565 0.224 20 0 GCADRP Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C(N)=O ZINC000506195662 1195200456 /nfs/dbraw/zinc/20/04/56/1195200456.db2.gz UHXFBDKKEHNULJ-UHFFFAOYSA-N 2 0 384.546 0.988 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000550002349 1195220680 /nfs/dbraw/zinc/22/06/80/1195220680.db2.gz RVBOUYAWLPXCMQ-QZTJIDSGSA-N 2 0 394.560 0.861 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)COCC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000438623373 1195230880 /nfs/dbraw/zinc/23/08/80/1195230880.db2.gz WPJOACIAOZVLIJ-UHFFFAOYSA-N 2 0 382.549 0.888 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cn1 ZINC000438883981 1195265473 /nfs/dbraw/zinc/26/54/73/1195265473.db2.gz DWYYHWYLMMPCPS-KRWDZBQOSA-N 2 0 397.483 0.551 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414971208 1195272740 /nfs/dbraw/zinc/27/27/40/1195272740.db2.gz HXSKZERGCHLOKH-SFHVURJKSA-N 2 0 399.495 0.036 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000518491013 1195294869 /nfs/dbraw/zinc/29/48/69/1195294869.db2.gz LLSSVBCZNMHSFM-GOSISDBHSA-N 2 0 388.512 0.773 20 0 GCADRP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000414998308 1195319956 /nfs/dbraw/zinc/31/99/56/1195319956.db2.gz ZNLLYXBEHAUBAJ-HNNXBMFYSA-N 2 0 391.438 0.989 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000653377219 1195321574 /nfs/dbraw/zinc/32/15/74/1195321574.db2.gz UDZUDVMCAOIQQC-SFHVURJKSA-N 2 0 381.565 0.321 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000518802353 1195335828 /nfs/dbraw/zinc/33/58/28/1195335828.db2.gz ALDBCYNZBUZALL-HKUYNNGSSA-N 2 0 391.560 0.214 20 0 GCADRP C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440266092 1195398478 /nfs/dbraw/zinc/39/84/78/1195398478.db2.gz CNKARBDFWKZCQM-ZDUSSCGKSA-N 2 0 389.456 0.257 20 0 GCADRP C[NH+](C)C1(CNC(=O)NCCN2CCN(c3ncccn3)CC2)CCOCC1 ZINC000506918731 1195479481 /nfs/dbraw/zinc/47/94/81/1195479481.db2.gz PZRXVGGHOFCDHF-UHFFFAOYSA-N 2 0 391.520 0.009 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCSC1 ZINC000519593443 1195501234 /nfs/dbraw/zinc/50/12/34/1195501234.db2.gz WNPNJCFXTQJRKR-MDZRGWNJSA-N 2 0 397.589 0.714 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCSC1 ZINC000519593434 1195501241 /nfs/dbraw/zinc/50/12/41/1195501241.db2.gz WNPNJCFXTQJRKR-BXWFABGCSA-N 2 0 397.589 0.714 20 0 GCADRP CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427274584 1195522750 /nfs/dbraw/zinc/52/27/50/1195522750.db2.gz JKRAYYQPCWEMEV-CABCVRRESA-N 2 0 376.505 1.029 20 0 GCADRP CCOC(CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427465066 1195543129 /nfs/dbraw/zinc/54/31/29/1195543129.db2.gz GFOIDIVEEOWEOL-RTBURBONSA-N 2 0 392.544 0.878 20 0 GCADRP COC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)NC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000427496243 1195546036 /nfs/dbraw/zinc/54/60/36/1195546036.db2.gz VELUTEDSDBBYIP-WBAXXEDZSA-N 2 0 378.517 0.487 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)n2)CC1 ZINC000427524884 1195548683 /nfs/dbraw/zinc/54/86/83/1195548683.db2.gz MVEWPPLLIMYRSK-NVXWUHKLSA-N 2 0 388.516 1.031 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427544929 1195549094 /nfs/dbraw/zinc/54/90/94/1195549094.db2.gz DKXNIJZFFYJRMM-WBVHZDCISA-N 2 0 390.532 1.420 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000550294293 1195551407 /nfs/dbraw/zinc/55/14/07/1195551407.db2.gz CUUSJHNFRQHHPQ-UHFFFAOYSA-N 2 0 394.560 0.984 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000473882683 1195557810 /nfs/dbraw/zinc/55/78/10/1195557810.db2.gz FTADMULPAQYWDK-UHFFFAOYSA-N 2 0 383.581 0.939 20 0 GCADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)C1 ZINC000519750695 1195567844 /nfs/dbraw/zinc/56/78/44/1195567844.db2.gz KWMQXSWBFMKSEO-NRFANRHFSA-N 2 0 392.544 0.502 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000519755569 1195569264 /nfs/dbraw/zinc/56/92/64/1195569264.db2.gz VXMYIYVGSYOFEE-JKSUJKDBSA-N 2 0 380.558 0.532 20 0 GCADRP C[C@@H]1CCN(C(=O)CCc2ncc[nH]2)[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000983754729 1195569318 /nfs/dbraw/zinc/56/93/18/1195569318.db2.gz FLYILXHJHMRDFT-WCXIOVBPSA-N 2 0 391.516 0.805 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415565973 1195569837 /nfs/dbraw/zinc/56/98/37/1195569837.db2.gz PJHIHQITXXPMMQ-QWHCGFSZSA-N 2 0 389.456 0.303 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000520218943 1195607720 /nfs/dbraw/zinc/60/77/20/1195607720.db2.gz JEHCFNDBJMJSBU-OAQYLSRUSA-N 2 0 376.545 0.607 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000416979672 1195617865 /nfs/dbraw/zinc/61/78/65/1195617865.db2.gz XEZJLSCIFYMIJF-KRWDZBQOSA-N 2 0 391.516 0.624 20 0 GCADRP C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCCC1 ZINC000520367381 1195625278 /nfs/dbraw/zinc/62/52/78/1195625278.db2.gz SYQJFCPVUABZEX-GOSISDBHSA-N 2 0 394.560 0.890 20 0 GCADRP C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCCC1 ZINC000520367382 1195625350 /nfs/dbraw/zinc/62/53/50/1195625350.db2.gz SYQJFCPVUABZEX-SFHVURJKSA-N 2 0 394.560 0.890 20 0 GCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)C1 ZINC000550358461 1195643914 /nfs/dbraw/zinc/64/39/14/1195643914.db2.gz APWSYDFUKSBMMI-ZWKOTPCHSA-N 2 0 382.549 0.698 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550372209 1195646396 /nfs/dbraw/zinc/64/63/96/1195646396.db2.gz OUGJOHZLEAHWLR-QGZVFWFLSA-N 2 0 381.565 0.365 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000550376280 1195650216 /nfs/dbraw/zinc/65/02/16/1195650216.db2.gz MZOXJHHUGQJMBE-UHFFFAOYSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000550383890 1195651826 /nfs/dbraw/zinc/65/18/26/1195651826.db2.gz WSDJNWRSBCXKGQ-WMZOPIPTSA-N 2 0 379.549 0.141 20 0 GCADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000441433833 1195686268 /nfs/dbraw/zinc/68/62/68/1195686268.db2.gz JEWDKKYPGJVAKF-SJORKVTESA-N 2 0 392.548 1.400 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000520551490 1195784980 /nfs/dbraw/zinc/78/49/80/1195784980.db2.gz DHGKSMCZAFMCAD-DLBZAZTESA-N 2 0 383.537 0.230 20 0 GCADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)([NH+](C)C)C1 ZINC000520620629 1195804110 /nfs/dbraw/zinc/80/41/10/1195804110.db2.gz IIGBTZZDFJONRZ-RXVVDRJESA-N 2 0 395.592 0.757 20 0 GCADRP C[C@@H](CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000474018147 1195857217 /nfs/dbraw/zinc/85/72/17/1195857217.db2.gz FGPYNUIDALPFHU-HNNXBMFYSA-N 2 0 390.532 0.852 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000428033002 1195904429 /nfs/dbraw/zinc/90/44/29/1195904429.db2.gz LWFUYZXXRFAIHS-MSOLQXFVSA-N 2 0 380.533 0.689 20 0 GCADRP CC[NH+](CC)CCOc1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000428174659 1195918582 /nfs/dbraw/zinc/91/85/82/1195918582.db2.gz FDMWQTMLACITLB-UHFFFAOYSA-N 2 0 376.501 0.911 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474028089 1195932378 /nfs/dbraw/zinc/93/23/78/1195932378.db2.gz AZFKKETXBOAFMD-INIZCTEOSA-N 2 0 383.537 0.108 20 0 GCADRP CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000520989982 1195947543 /nfs/dbraw/zinc/94/75/43/1195947543.db2.gz LQMHDJGEBCDRKQ-WMZOPIPTSA-N 2 0 392.544 0.377 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000550458390 1195980734 /nfs/dbraw/zinc/98/07/34/1195980734.db2.gz SMDGCYADDBRAFH-GOSISDBHSA-N 2 0 382.549 0.792 20 0 GCADRP C[NH+](CCCCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451152382 1195983585 /nfs/dbraw/zinc/98/35/85/1195983585.db2.gz YOUNMVKSMWLQKC-WOZUAGRISA-N 2 0 380.577 0.967 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000550457749 1195984632 /nfs/dbraw/zinc/98/46/32/1195984632.db2.gz NFXNIVGVXBRILG-RBUKOAKNSA-N 2 0 394.560 0.936 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000550458977 1195986815 /nfs/dbraw/zinc/98/68/15/1195986815.db2.gz UOGMGEKMASBELS-WMZOPIPTSA-N 2 0 380.533 0.593 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000550458805 1195988343 /nfs/dbraw/zinc/98/83/43/1195988343.db2.gz RWVXBEJNKNTCKZ-ZWKOTPCHSA-N 2 0 382.549 0.840 20 0 GCADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442591142 1195994640 /nfs/dbraw/zinc/99/46/40/1195994640.db2.gz HHPZYZQYCQZVQF-UHFFFAOYSA-N 2 0 382.597 0.728 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000521414124 1195995204 /nfs/dbraw/zinc/99/52/04/1195995204.db2.gz VLKPPSAEOXRNTQ-HZPDHXFCSA-N 2 0 380.533 0.450 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000521414125 1195995331 /nfs/dbraw/zinc/99/53/31/1195995331.db2.gz VLKPPSAEOXRNTQ-IYBDPMFKSA-N 2 0 380.533 0.450 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442761039 1196001288 /nfs/dbraw/zinc/00/12/88/1196001288.db2.gz OTOSBVNFKUUPRK-CVEARBPZSA-N 2 0 383.514 0.755 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775118 1196002572 /nfs/dbraw/zinc/00/25/72/1196002572.db2.gz BKBORIRVFOASTA-HOTGVXAUSA-N 2 0 380.514 0.189 20 0 GCADRP COCC[N@H+](C)C[C@H](O)CN1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000521642182 1196008254 /nfs/dbraw/zinc/00/82/54/1196008254.db2.gz XIXKRFBCDONWPG-YADHBBJMSA-N 2 0 390.572 0.818 20 0 GCADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000443055784 1196018290 /nfs/dbraw/zinc/01/82/90/1196018290.db2.gz BSLOQNGHQQZLPD-CQSZACIVSA-N 2 0 398.529 0.945 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCC[NH+]3CCC(C)CC3)C2)CC1 ZINC000550464481 1196023956 /nfs/dbraw/zinc/02/39/56/1196023956.db2.gz LSJAMQGBQKESKC-IBGZPJMESA-N 2 0 393.576 0.463 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[N@@H+]1C1CC1 ZINC000521937701 1196026892 /nfs/dbraw/zinc/02/68/92/1196026892.db2.gz UVIDQUAAPVAPPV-AETAKHFUSA-N 2 0 378.517 0.222 20 0 GCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000522014961 1196034375 /nfs/dbraw/zinc/03/43/75/1196034375.db2.gz RTIORQQKDLOORW-IAGOWNOFSA-N 2 0 387.484 0.237 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000522028215 1196037632 /nfs/dbraw/zinc/03/76/32/1196037632.db2.gz BWPDSPAGAUKUJZ-ZWKOTPCHSA-N 2 0 382.549 0.719 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000550493558 1196056275 /nfs/dbraw/zinc/05/62/75/1196056275.db2.gz WJKUYHFTOQJOKF-UHFFFAOYSA-N 2 0 394.560 0.986 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550492660 1196056385 /nfs/dbraw/zinc/05/63/85/1196056385.db2.gz FAXUPGDPHQMTPA-UHFFFAOYSA-N 2 0 395.548 0.038 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000550521848 1196074095 /nfs/dbraw/zinc/07/40/95/1196074095.db2.gz UKWMHSNZOXBOQW-KRWDZBQOSA-N 2 0 381.565 0.365 20 0 GCADRP CC(C)N(CCOCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000487437597 1196085478 /nfs/dbraw/zinc/08/54/78/1196085478.db2.gz YFXYTWWDBHGEHS-YRXWBPOGSA-N 2 0 396.576 0.752 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000550581440 1196092742 /nfs/dbraw/zinc/09/27/42/1196092742.db2.gz IIMKDBQSUAFRIQ-HOTGVXAUSA-N 2 0 386.537 0.027 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000114602503 1196106290 /nfs/dbraw/zinc/10/62/90/1196106290.db2.gz HTRYUKHPDGCPLQ-UHFFFAOYSA-N 2 0 381.565 0.646 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000474410318 1196115325 /nfs/dbraw/zinc/11/53/25/1196115325.db2.gz MTDHRKBPLTVDON-INIZCTEOSA-N 2 0 390.488 0.262 20 0 GCADRP COc1cc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)ccc1OCC[NH+](C)C ZINC000895920554 1196118572 /nfs/dbraw/zinc/11/85/72/1196118572.db2.gz LKQHCAHHJRJXBZ-KRWDZBQOSA-N 2 0 377.485 0.973 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443764299 1196141930 /nfs/dbraw/zinc/14/19/30/1196141930.db2.gz MMWQPMBZSHUDPJ-SJORKVTESA-N 2 0 399.561 0.881 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ncnn4CCF)C[C@H]3C2)CC[N@@H+]1C ZINC001087971668 1196142550 /nfs/dbraw/zinc/14/25/50/1196142550.db2.gz MQTJWEDNUFBDCL-WCXIOVBPSA-N 2 0 378.496 0.868 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CC(=O)Nc4cnccn4)C[C@H]3C2)CC[N@@H+]1C ZINC001087971588 1196142678 /nfs/dbraw/zinc/14/26/78/1196142678.db2.gz IHSVVMPCYPZPEZ-WCXIOVBPSA-N 2 0 386.500 0.536 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971237 1196143687 /nfs/dbraw/zinc/14/36/87/1196143687.db2.gz MPWOVNZFAIIGDF-WCXIOVBPSA-N 2 0 376.501 0.256 20 0 GCADRP CCCCn1c(N)c(N(CC)C(=O)CN2CC[C@@H]([C@@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828623 1196144765 /nfs/dbraw/zinc/14/47/65/1196144765.db2.gz XMMNPGAVEHLUFE-CHWSQXEVSA-N 2 0 380.493 0.353 20 0 GCADRP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000896533265 1196153522 /nfs/dbraw/zinc/15/35/22/1196153522.db2.gz HASWWWDCXSWLFA-JYJNAYRXSA-N 2 0 385.553 0.582 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)[C@H](c2cnn(C)c2)C1 ZINC000896532878 1196153607 /nfs/dbraw/zinc/15/36/07/1196153607.db2.gz NBGGMGMRUHQUHP-OJAHFUOMSA-N 2 0 390.576 0.985 20 0 GCADRP C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H](O)CC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000329052752 1196159800 /nfs/dbraw/zinc/15/98/00/1196159800.db2.gz LIEBPFZWPUZDIP-BSHDOZJQSA-N 2 0 392.544 0.233 20 0 GCADRP CCN1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)CC1 ZINC000329939977 1196241066 /nfs/dbraw/zinc/24/10/66/1196241066.db2.gz FXLNAGCXQRPFPO-KBMXLJTQSA-N 2 0 382.484 0.779 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@H]21 ZINC000330122404 1196254502 /nfs/dbraw/zinc/25/45/02/1196254502.db2.gz KHXQXADFBFDAKW-QRVBRYPASA-N 2 0 392.544 0.642 20 0 GCADRP C[NH+](C)[C@@H]1CCN(C(=O)CC2(C(=O)N3CC[C@H]([NH+](C)C)C3)CCOCC2)C1 ZINC000330224472 1196260117 /nfs/dbraw/zinc/26/01/17/1196260117.db2.gz NSUFUVOEUYSKBT-SJORKVTESA-N 2 0 380.533 0.498 20 0 GCADRP C[NH+](C)[C@@H]1CCN(C(=O)C2(CC(=O)N3CC[C@H]([NH+](C)C)C3)CCOCC2)C1 ZINC000330224467 1196260261 /nfs/dbraw/zinc/26/02/61/1196260261.db2.gz NSUFUVOEUYSKBT-DLBZAZTESA-N 2 0 380.533 0.498 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cncc(F)c1 ZINC000281684979 1196322900 /nfs/dbraw/zinc/32/29/00/1196322900.db2.gz NJRFFCMNEVTJSV-UHFFFAOYSA-N 2 0 386.431 0.883 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000103212082 1196374733 /nfs/dbraw/zinc/37/47/33/1196374733.db2.gz XEFXOYVMYAPBMO-UHFFFAOYSA-N 2 0 382.530 0.792 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897179600 1196402231 /nfs/dbraw/zinc/40/22/31/1196402231.db2.gz PLTIHHUKVXDOEZ-MOPGFXCFSA-N 2 0 388.512 0.112 20 0 GCADRP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000897235909 1196407724 /nfs/dbraw/zinc/40/77/24/1196407724.db2.gz ZFGIKTDAKAUQMX-IEBWSBKVSA-N 2 0 379.501 0.886 20 0 GCADRP C[NH+](C)CCNC(=S)NCc1cccc(CNC(=S)NCC[NH+](C)C)c1 ZINC000007571839 1196429402 /nfs/dbraw/zinc/42/94/02/1196429402.db2.gz QLSFRRMBCYKPGU-UHFFFAOYSA-N 2 0 396.630 0.738 20 0 GCADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514611675 1196464697 /nfs/dbraw/zinc/46/46/97/1196464697.db2.gz BIHJQSSPFSXZCH-SJLPKXTDSA-N 2 0 394.541 0.472 20 0 GCADRP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152456823 1196466135 /nfs/dbraw/zinc/46/61/35/1196466135.db2.gz HYZDACNQSMANFG-QGZVFWFLSA-N 2 0 396.557 0.656 20 0 GCADRP CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000523452277 1196524654 /nfs/dbraw/zinc/52/46/54/1196524654.db2.gz HKUJHEKDEAHGRV-GOSISDBHSA-N 2 0 379.549 0.169 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626766 1196537556 /nfs/dbraw/zinc/53/75/56/1196537556.db2.gz QJHUPPUKBZSREX-QZTJIDSGSA-N 2 0 397.564 0.585 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626768 1196537667 /nfs/dbraw/zinc/53/76/67/1196537667.db2.gz QJHUPPUKBZSREX-ZWKOTPCHSA-N 2 0 397.564 0.585 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524032116 1196573135 /nfs/dbraw/zinc/57/31/35/1196573135.db2.gz YIQZYURGEXJIDF-SFHVURJKSA-N 2 0 397.564 0.729 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524619481 1196611075 /nfs/dbraw/zinc/61/10/75/1196611075.db2.gz UPIWPVYUVVTEQE-QZTJIDSGSA-N 2 0 397.564 0.321 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000524780258 1196624253 /nfs/dbraw/zinc/62/42/53/1196624253.db2.gz WGBVCZZZOMHHBV-SJORKVTESA-N 2 0 388.516 0.902 20 0 GCADRP Cc1ccc(S(=O)(=O)NCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000525450483 1196683013 /nfs/dbraw/zinc/68/30/13/1196683013.db2.gz JKJLCERIAZYSAK-UHFFFAOYSA-N 2 0 399.561 0.408 20 0 GCADRP CCCN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645542650 1196689867 /nfs/dbraw/zinc/68/98/67/1196689867.db2.gz DLAOGWNMZULQHO-SFHVURJKSA-N 2 0 381.565 0.909 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000525684500 1196699771 /nfs/dbraw/zinc/69/97/71/1196699771.db2.gz UFDAKFOXFMEOBD-OKZBNKHCSA-N 2 0 379.549 0.199 20 0 GCADRP OC(CN1CCOCC2(CCOCC2)C1)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000447309890 1196706466 /nfs/dbraw/zinc/70/64/66/1196706466.db2.gz SDVRUHZDFZNDCU-UHFFFAOYSA-N 2 0 398.544 0.605 20 0 GCADRP CC(=O)Nc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000525882414 1196720561 /nfs/dbraw/zinc/72/05/61/1196720561.db2.gz KAWGMMSVGLCBKS-UHFFFAOYSA-N 2 0 381.452 0.674 20 0 GCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000526088578 1196739312 /nfs/dbraw/zinc/73/93/12/1196739312.db2.gz LLNFXLVHMJPOQG-OAHLLOKOSA-N 2 0 376.505 0.936 20 0 GCADRP CN1c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2CCC1=O ZINC000526132176 1196744136 /nfs/dbraw/zinc/74/41/36/1196744136.db2.gz SZTRONODUUHBPR-UHFFFAOYSA-N 2 0 389.500 0.486 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000527123871 1196767434 /nfs/dbraw/zinc/76/74/34/1196767434.db2.gz JNZANBWTLCLKCQ-UHFFFAOYSA-N 2 0 389.500 0.852 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000448149281 1196777584 /nfs/dbraw/zinc/77/75/84/1196777584.db2.gz VFUKJFMIKGQBAZ-GOSISDBHSA-N 2 0 383.581 0.796 20 0 GCADRP C[C@@H]1Oc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2NC1=O ZINC000527374313 1196783998 /nfs/dbraw/zinc/78/39/98/1196783998.db2.gz SOWUKXQDSGTXIK-ZDUSSCGKSA-N 2 0 391.472 0.296 20 0 GCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C(=O)N(C)C ZINC000527373852 1196784020 /nfs/dbraw/zinc/78/40/20/1196784020.db2.gz HXKGWSYJYVWMHZ-UHFFFAOYSA-N 2 0 391.516 0.587 20 0 GCADRP CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000527374141 1196784054 /nfs/dbraw/zinc/78/40/54/1196784054.db2.gz DDAKTMYIPSOMOB-UHFFFAOYSA-N 2 0 391.516 0.715 20 0 GCADRP CCNC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000527374146 1196784095 /nfs/dbraw/zinc/78/40/95/1196784095.db2.gz GXZUWXIXWHMZHQ-UHFFFAOYSA-N 2 0 377.489 0.327 20 0 GCADRP Cc1cc(S(N)(=O)=O)cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000527376062 1196784633 /nfs/dbraw/zinc/78/46/33/1196784633.db2.gz MERNISBDQKOWEC-UHFFFAOYSA-N 2 0 385.534 0.908 20 0 GCADRP COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000527376020 1196784652 /nfs/dbraw/zinc/78/46/52/1196784652.db2.gz KFNLEWRRQLSRSC-UHFFFAOYSA-N 2 0 376.465 0.628 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H](C)C1 ZINC000448519522 1196809429 /nfs/dbraw/zinc/80/94/29/1196809429.db2.gz DWNRGEBOOWIOKX-OALUTQOASA-N 2 0 383.581 0.748 20 0 GCADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncc1C(N)=O ZINC000448837507 1196834249 /nfs/dbraw/zinc/83/42/49/1196834249.db2.gz UCAQBSMMAPWRJS-UHFFFAOYSA-N 2 0 382.468 0.826 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000448855482 1196834884 /nfs/dbraw/zinc/83/48/84/1196834884.db2.gz YZJLRQIIJXLTSH-MRXNPFEDSA-N 2 0 388.520 0.797 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000529294770 1196911078 /nfs/dbraw/zinc/91/10/78/1196911078.db2.gz ZSCJKSWNVLCYAI-IBGZPJMESA-N 2 0 375.517 0.612 20 0 GCADRP CC1[C@@H](C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000450482816 1196929649 /nfs/dbraw/zinc/92/96/49/1196929649.db2.gz DDRZGPNZSNPWQP-GFLQDLJJSA-N 2 0 388.556 0.974 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391038346 1196960365 /nfs/dbraw/zinc/96/03/65/1196960365.db2.gz QCAYNIUDOIZHMN-HKUYNNGSSA-N 2 0 376.501 0.493 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000530713874 1197009363 /nfs/dbraw/zinc/00/93/63/1197009363.db2.gz JTJOBXDGQUEDLJ-LJQANCHMSA-N 2 0 375.473 0.307 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000530881278 1197022980 /nfs/dbraw/zinc/02/29/80/1197022980.db2.gz KKJRAWFDCZLWFK-UHFFFAOYSA-N 2 0 392.548 0.897 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC2(C(=O)OC)CCCCC2)CC1 ZINC000451979352 1197028502 /nfs/dbraw/zinc/02/85/02/1197028502.db2.gz GPRVWPHIWBDYTM-UHFFFAOYSA-N 2 0 382.549 0.984 20 0 GCADRP C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000531118491 1197047634 /nfs/dbraw/zinc/04/76/34/1197047634.db2.gz IEYHRIOYSHZWNI-DNVCBOLYSA-N 2 0 381.521 0.439 20 0 GCADRP CO[C@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897366041 1197049628 /nfs/dbraw/zinc/04/96/28/1197049628.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 2 0 382.549 0.979 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000531759062 1197095215 /nfs/dbraw/zinc/09/52/15/1197095215.db2.gz DWVWILKWQNLGAM-OALUTQOASA-N 2 0 381.565 0.691 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532027648 1197107262 /nfs/dbraw/zinc/10/72/62/1197107262.db2.gz ZIHOYILOPKJJQD-MOPGFXCFSA-N 2 0 381.565 0.689 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000453805519 1197139196 /nfs/dbraw/zinc/13/91/96/1197139196.db2.gz LSGIYXAVERJQAU-QGZVFWFLSA-N 2 0 376.501 0.692 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000532310832 1197143320 /nfs/dbraw/zinc/14/33/20/1197143320.db2.gz SUFHDTQOLOMGJP-UHFFFAOYSA-N 2 0 384.546 0.866 20 0 GCADRP CC(C)(O)C[NH+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000171147287 1197157422 /nfs/dbraw/zinc/15/74/22/1197157422.db2.gz IQXBPQPGXCXVBW-UHFFFAOYSA-N 2 0 396.576 0.526 20 0 GCADRP COc1ccc(N2C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cc1 ZINC000666092449 1197192333 /nfs/dbraw/zinc/19/23/33/1197192333.db2.gz PGJSFJWEDZLXHW-INIZCTEOSA-N 2 0 391.516 0.935 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000188710312 1197233373 /nfs/dbraw/zinc/23/33/73/1197233373.db2.gz VKOXYXSVEOOARJ-KZNAEPCWSA-N 2 0 394.560 0.623 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000671146955 1197257566 /nfs/dbraw/zinc/25/75/66/1197257566.db2.gz IKQNDUGKWHUVRI-YTQUADARSA-N 2 0 388.512 0.603 20 0 GCADRP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000151277671 1197266446 /nfs/dbraw/zinc/26/64/46/1197266446.db2.gz RJULQOUJBOHKJW-UHFFFAOYSA-N 2 0 381.484 0.733 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000729610176 1197308388 /nfs/dbraw/zinc/30/83/88/1197308388.db2.gz DODWOKQGHXQQBE-ULQDDVLXSA-N 2 0 381.521 0.092 20 0 GCADRP C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956750 1197308549 /nfs/dbraw/zinc/30/85/49/1197308549.db2.gz BZHUPIXMTUNWQV-GDBMZVCRSA-N 2 0 387.488 0.247 20 0 GCADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc21 ZINC000897440166 1197326107 /nfs/dbraw/zinc/32/61/07/1197326107.db2.gz OANVFKWCQLXCAR-LJQANCHMSA-N 2 0 377.489 0.736 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000105323496 1197326295 /nfs/dbraw/zinc/32/62/95/1197326295.db2.gz RIXJFZBYJPEXRH-IEBWSBKVSA-N 2 0 394.560 0.936 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)C2)CC1 ZINC000106526732 1197327256 /nfs/dbraw/zinc/32/72/56/1197327256.db2.gz PMPUAPDJWKJLRC-IBGZPJMESA-N 2 0 380.581 0.434 20 0 GCADRP CCNC(=O)CN(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000508664265 1197328972 /nfs/dbraw/zinc/32/89/72/1197328972.db2.gz SCVVLTOYTRVIQG-UHFFFAOYSA-N 2 0 376.505 0.761 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000897465138 1197339360 /nfs/dbraw/zinc/33/93/60/1197339360.db2.gz VCDRRRXYGQKYOH-QGZVFWFLSA-N 2 0 389.500 0.347 20 0 GCADRP C[C@@H]1CN(C(=O)NCc2cnc(N(C)C)n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536544464 1197356555 /nfs/dbraw/zinc/35/65/55/1197356555.db2.gz IQWFVEUKAFHFNT-WBVHZDCISA-N 2 0 377.537 0.654 20 0 GCADRP C(=C/C[N@H+]1CC[C@H](CN2CCOCC2)C1)\C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129142545 1197364849 /nfs/dbraw/zinc/36/48/49/1197364849.db2.gz MDIQYDHKULHURM-XFDDJKQHSA-N 2 0 392.588 0.851 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418878953 1197390864 /nfs/dbraw/zinc/39/08/64/1197390864.db2.gz MOYXNOLSOBDHLL-ZYSHUDEJSA-N 2 0 388.512 0.598 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000418955564 1197406052 /nfs/dbraw/zinc/40/60/52/1197406052.db2.gz QPONUSIMTRRALM-CVEARBPZSA-N 2 0 377.489 0.272 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419125863 1197411113 /nfs/dbraw/zinc/41/11/13/1197411113.db2.gz UVSHXVYRTAHEFP-RDJZCZTQSA-N 2 0 391.520 0.281 20 0 GCADRP COC[C@H](CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897499533 1197413506 /nfs/dbraw/zinc/41/35/06/1197413506.db2.gz IULKDRSJKDDPHJ-HRCADAONSA-N 2 0 382.549 0.979 20 0 GCADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000454482812 1197417358 /nfs/dbraw/zinc/41/73/58/1197417358.db2.gz OPMFWYPUTMQCSY-GOSISDBHSA-N 2 0 395.548 0.470 20 0 GCADRP CC(C[NH+]1CC[C@H](CN2CCOCC2)C1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000532973458 1197424682 /nfs/dbraw/zinc/42/46/82/1197424682.db2.gz DMBYRGPANFGQMX-FGZHOGPDSA-N 2 0 394.604 0.931 20 0 GCADRP CN(c1ccccc1CN1CCN2C(=O)C(=O)NC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000246198459 1197454062 /nfs/dbraw/zinc/45/40/62/1197454062.db2.gz LQQFMHAIEHHVLA-SFHVURJKSA-N 2 0 385.512 0.360 20 0 GCADRP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533484704 1197454840 /nfs/dbraw/zinc/45/48/40/1197454840.db2.gz QZOFBFSWSXXBKQ-MRXNPFEDSA-N 2 0 382.549 0.792 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000249412043 1197482139 /nfs/dbraw/zinc/48/21/39/1197482139.db2.gz VKOXYXSVEOOARJ-OKZBNKHCSA-N 2 0 394.560 0.623 20 0 GCADRP C[NH+]1CCCC[C@H]1C(=O)N1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000614909693 1197486600 /nfs/dbraw/zinc/48/66/00/1197486600.db2.gz WFRHVHUKHFJNEZ-MSOLQXFVSA-N 2 0 379.549 0.215 20 0 GCADRP O=C(NC[C@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261794583 1197515310 /nfs/dbraw/zinc/51/53/10/1197515310.db2.gz IKCAJBBYOKWLCC-HZPDHXFCSA-N 2 0 391.516 0.431 20 0 GCADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000261917992 1197519460 /nfs/dbraw/zinc/51/94/60/1197519460.db2.gz USRUJAAXRLGGNX-IKGGRYGDSA-N 2 0 388.516 0.496 20 0 GCADRP CO[C@H](C)c1noc(CN2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000262063288 1197524231 /nfs/dbraw/zinc/52/42/31/1197524231.db2.gz JFVMCCCZNCWOFS-OAHLLOKOSA-N 2 0 380.493 0.107 20 0 GCADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(OC)c1OCC(N)=O ZINC000262136815 1197525746 /nfs/dbraw/zinc/52/57/46/1197525746.db2.gz OVGPFSKPBUTFKM-OAHLLOKOSA-N 2 0 378.473 0.047 20 0 GCADRP COC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000262378936 1197531556 /nfs/dbraw/zinc/53/15/56/1197531556.db2.gz XNNPXQXJDMFBLJ-SFHVURJKSA-N 2 0 376.501 0.447 20 0 GCADRP CCC(CC)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000428615236 1197554738 /nfs/dbraw/zinc/55/47/38/1197554738.db2.gz XZJGNKDSLMFLFA-MOPGFXCFSA-N 2 0 394.560 0.794 20 0 GCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428625741 1197557363 /nfs/dbraw/zinc/55/73/63/1197557363.db2.gz HVIODRPFEWYQNO-GOSISDBHSA-N 2 0 392.544 0.692 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC[NH+](C)CC1 ZINC000672008613 1199000724 /nfs/dbraw/zinc/00/07/24/1199000724.db2.gz AUCHQISLHDDNKJ-WMZOPIPTSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465828592 1199077667 /nfs/dbraw/zinc/07/76/67/1199077667.db2.gz CCCJTLYMABQQMA-ROUUACIJSA-N 2 0 396.580 0.112 20 0 GCADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465828593 1199078232 /nfs/dbraw/zinc/07/82/32/1199078232.db2.gz CCCJTLYMABQQMA-ZWKOTPCHSA-N 2 0 396.580 0.112 20 0 GCADRP C[C@](O)(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)CN1CCOCC1 ZINC000465854135 1199087679 /nfs/dbraw/zinc/08/76/79/1199087679.db2.gz FYGWJRSWHZKFTO-SFHVURJKSA-N 2 0 384.521 0.014 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000656080077 1199094299 /nfs/dbraw/zinc/09/42/99/1199094299.db2.gz XEQXMADDCAKYIJ-QGZVFWFLSA-N 2 0 380.533 0.500 20 0 GCADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627307723 1199156651 /nfs/dbraw/zinc/15/66/51/1199156651.db2.gz VDNGRXRDFPMTOU-GXTWGEPZSA-N 2 0 378.439 0.963 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672204401 1199159740 /nfs/dbraw/zinc/15/97/40/1199159740.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 2 0 379.549 0.262 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206937 1199160490 /nfs/dbraw/zinc/16/04/90/1199160490.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 2 0 379.549 0.212 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC000672305677 1199198332 /nfs/dbraw/zinc/19/83/32/1199198332.db2.gz YRNULPWUDUQHHF-LJQANCHMSA-N 2 0 391.560 0.073 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccn1 ZINC000672310782 1199202869 /nfs/dbraw/zinc/20/28/69/1199202869.db2.gz HXUBXXSLMQJINU-QGZVFWFLSA-N 2 0 389.500 0.239 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672308943 1199204184 /nfs/dbraw/zinc/20/41/84/1199204184.db2.gz FBOMCFFXFRBQQT-QGZVFWFLSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794753 1199218853 /nfs/dbraw/zinc/21/88/53/1199218853.db2.gz AOBBEGZEHYLYLC-LPHOPBHVSA-N 2 0 395.507 0.918 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638552 1199288584 /nfs/dbraw/zinc/28/85/84/1199288584.db2.gz UEGCAJHBSXXIIK-QGZVFWFLSA-N 2 0 381.565 0.461 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672637817 1199292004 /nfs/dbraw/zinc/29/20/04/1199292004.db2.gz CUKKXEIDGBRUIM-FUHWJXTLSA-N 2 0 379.549 0.214 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672640497 1199294037 /nfs/dbraw/zinc/29/40/37/1199294037.db2.gz WAEXZAMXGSRGCS-KRWDZBQOSA-N 2 0 393.576 0.604 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640240 1199296345 /nfs/dbraw/zinc/29/63/45/1199296345.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641028 1199298108 /nfs/dbraw/zinc/29/81/08/1199298108.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 2 0 391.560 0.214 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640968 1199299336 /nfs/dbraw/zinc/29/93/36/1199299336.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302407 /nfs/dbraw/zinc/30/24/07/1199302407.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642954 1199302757 /nfs/dbraw/zinc/30/27/57/1199302757.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 2 0 393.576 0.508 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466001445 1199335466 /nfs/dbraw/zinc/33/54/66/1199335466.db2.gz XDXCMHICZPWJDI-QZTJIDSGSA-N 2 0 381.565 0.670 20 0 GCADRP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1(C)C ZINC000672854507 1199352610 /nfs/dbraw/zinc/35/26/10/1199352610.db2.gz HLPQLINSUCVOCT-IRXDYDNUSA-N 2 0 379.549 0.071 20 0 GCADRP CC1(C)CN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@@H+]1CCO ZINC000673011910 1199394276 /nfs/dbraw/zinc/39/42/76/1199394276.db2.gz DWUJKJCEMFKMOR-IBGZPJMESA-N 2 0 390.528 0.851 20 0 GCADRP CC1(C)CN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+]1CCO ZINC000673011911 1199394747 /nfs/dbraw/zinc/39/47/47/1199394747.db2.gz DWUJKJCEMFKMOR-LJQANCHMSA-N 2 0 390.528 0.851 20 0 GCADRP C(=C\C[N@H+]1CC[C@H](CN2CCOCC2)C1)\C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000255594383 1199397654 /nfs/dbraw/zinc/39/76/54/1199397654.db2.gz MDIQYDHKULHURM-LJLUTMTPSA-N 2 0 392.588 0.851 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627342670 1199465952 /nfs/dbraw/zinc/46/59/52/1199465952.db2.gz MOKQKTDRZXLRFV-FUHWJXTLSA-N 2 0 376.501 0.447 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224135 1199488206 /nfs/dbraw/zinc/48/82/06/1199488206.db2.gz KKTCWSOXNSGCMP-FUHWJXTLSA-N 2 0 395.592 0.706 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)CC2)C1 ZINC000673275239 1199512202 /nfs/dbraw/zinc/51/22/02/1199512202.db2.gz OXDQOAWDIXBZSH-GOSISDBHSA-N 2 0 393.576 0.463 20 0 GCADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000673288312 1199518841 /nfs/dbraw/zinc/51/88/41/1199518841.db2.gz JUUYJCGKRFBMPI-PKOBYXMFSA-N 2 0 388.512 0.859 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000673307633 1199532383 /nfs/dbraw/zinc/53/23/83/1199532383.db2.gz BPCQWKPQNWGSHO-OALUTQOASA-N 2 0 393.576 0.606 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000673325584 1199540672 /nfs/dbraw/zinc/54/06/72/1199540672.db2.gz BCMWPGXYEGIWJX-HKUYNNGSSA-N 2 0 390.528 0.802 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000673427679 1199630187 /nfs/dbraw/zinc/63/01/87/1199630187.db2.gz IQMFMVCNDQNVPW-MSOLQXFVSA-N 2 0 380.533 0.690 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000118101797 1199742900 /nfs/dbraw/zinc/74/29/00/1199742900.db2.gz LQPGZUHCYSVMIH-LJQANCHMSA-N 2 0 387.528 0.829 20 0 GCADRP C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@H]1CN(C)CCO1 ZINC000673559336 1199798897 /nfs/dbraw/zinc/79/88/97/1199798897.db2.gz QHMLUHZGHILZGN-MAUKXSAKSA-N 2 0 379.505 0.930 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000673582467 1199827356 /nfs/dbraw/zinc/82/73/56/1199827356.db2.gz FXJWPWCUNHJEHE-QGZVFWFLSA-N 2 0 391.516 0.627 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673584865 1199828772 /nfs/dbraw/zinc/82/87/72/1199828772.db2.gz WIZNWOCKKPMLRA-KZNAEPCWSA-N 2 0 380.533 0.469 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673583538 1199829528 /nfs/dbraw/zinc/82/95/28/1199829528.db2.gz AJAJAUINNYGVAF-BPQIPLTHSA-N 2 0 380.533 0.471 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000673584034 1199831203 /nfs/dbraw/zinc/83/12/03/1199831203.db2.gz JNQOHJRLQSOERC-JCGIZDLHSA-N 2 0 380.533 0.327 20 0 GCADRP CN(C)c1cc[nH+]c(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000922873521 1199886515 /nfs/dbraw/zinc/88/65/15/1199886515.db2.gz VXBGVVFTQGHWJY-UHFFFAOYSA-N 2 0 390.532 0.743 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925807 /nfs/dbraw/zinc/92/58/07/1199925807.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 2 0 386.540 0.908 20 0 GCADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000674383961 1200231420 /nfs/dbraw/zinc/23/14/20/1200231420.db2.gz JVNBUXSQMCOHOA-MRXNPFEDSA-N 2 0 393.488 0.004 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000888462242 1200239527 /nfs/dbraw/zinc/23/95/27/1200239527.db2.gz CNAJSGANIOLQLX-MRXNPFEDSA-N 2 0 383.537 0.637 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@@H](C)[NH2+]C)cc2)CC1 ZINC001118016363 1200432659 /nfs/dbraw/zinc/43/26/59/1200432659.db2.gz DIUNCTCAMYHYQV-MRXNPFEDSA-N 2 0 375.517 0.877 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675817656 1200461792 /nfs/dbraw/zinc/46/17/92/1200461792.db2.gz WLDBXGYPDBVENI-QZTJIDSGSA-N 2 0 390.594 0.290 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675817658 1200461893 /nfs/dbraw/zinc/46/18/93/1200461893.db2.gz WLDBXGYPDBVENI-ZWKOTPCHSA-N 2 0 390.594 0.290 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000676168888 1200505220 /nfs/dbraw/zinc/50/52/20/1200505220.db2.gz RLTHJKZSNPLUBY-ZRNYENFQSA-N 2 0 394.560 0.995 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000676546865 1200569594 /nfs/dbraw/zinc/56/95/94/1200569594.db2.gz SEBAXEDCFXPRMV-MRXNPFEDSA-N 2 0 392.504 0.097 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000369663404 1200630208 /nfs/dbraw/zinc/63/02/08/1200630208.db2.gz LFYKKGBEJWYMMD-UHFFFAOYSA-N 2 0 377.537 1.297 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000368213224 1200640689 /nfs/dbraw/zinc/64/06/89/1200640689.db2.gz TVMYJSSSSPDWDC-UHFFFAOYSA-N 2 0 391.564 1.326 20 0 GCADRP C[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000369658769 1200694172 /nfs/dbraw/zinc/69/41/72/1200694172.db2.gz XKSRFHOYDHSFGG-HNNXBMFYSA-N 2 0 378.521 1.459 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000477069411 1200813880 /nfs/dbraw/zinc/81/38/80/1200813880.db2.gz QUSAIKNIJXUAON-BZSNNMDCSA-N 2 0 381.565 0.317 20 0 GCADRP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(=O)NCC3CC[NH+](C)CC3)O2)CC1 ZINC000188921185 1200835691 /nfs/dbraw/zinc/83/56/91/1200835691.db2.gz KSRGQHHIHDPFPJ-HDICACEKSA-N 2 0 380.533 0.450 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCC[C@H]([NH+](C)C)C3)O2)C1 ZINC000189030192 1200849448 /nfs/dbraw/zinc/84/94/48/1200849448.db2.gz FPWWWNSUXJOVBV-FZDBZEDMSA-N 2 0 380.533 0.639 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000435242532 1200863875 /nfs/dbraw/zinc/86/38/75/1200863875.db2.gz LLHFXDDKUTXNHG-MRXNPFEDSA-N 2 0 378.392 1.281 20 0 GCADRP O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000625898011 1200866148 /nfs/dbraw/zinc/86/61/48/1200866148.db2.gz CYDSNPWYDKLKAU-INIZCTEOSA-N 2 0 377.489 0.159 20 0 GCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427544436 1200880226 /nfs/dbraw/zinc/88/02/26/1200880226.db2.gz RZMACGIOVGDGIS-HNNXBMFYSA-N 2 0 376.505 0.889 20 0 GCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000373264566 1200885297 /nfs/dbraw/zinc/88/52/97/1200885297.db2.gz QALCFTCLOVZFNS-MRXNPFEDSA-N 2 0 390.532 1.279 20 0 GCADRP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](O)CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923267806 1200914536 /nfs/dbraw/zinc/91/45/36/1200914536.db2.gz HRZCZHRPHLUCIR-FFHOCLHESA-N 2 0 392.544 0.518 20 0 GCADRP NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369824 1200969219 /nfs/dbraw/zinc/96/92/19/1200969219.db2.gz PNJKIKICIKNDAL-IRXDYDNUSA-N 2 0 378.904 0.863 20 0 GCADRP NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369823 1200969324 /nfs/dbraw/zinc/96/93/24/1200969324.db2.gz PNJKIKICIKNDAL-IAGOWNOFSA-N 2 0 378.904 0.863 20 0 GCADRP CN(C(=O)Cc1ccc(O)cc1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000136833896 1201187767 /nfs/dbraw/zinc/18/77/67/1201187767.db2.gz WMSGVROOPDRKIF-UHFFFAOYSA-N 2 0 388.512 0.632 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000672015120 1201192836 /nfs/dbraw/zinc/19/28/36/1201192836.db2.gz QXRRKFSQOJFIRF-MRXNPFEDSA-N 2 0 380.533 0.404 20 0 GCADRP COC(=O)[C@H](O)C1CC[NH+](C/C=C\C[NH+]2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000611151924 1201220264 /nfs/dbraw/zinc/22/02/64/1201220264.db2.gz RDQKIMQGIXQKBO-FEFURNDJSA-N 2 0 398.500 0.034 20 0 GCADRP COC(=O)Cn1cc(CC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000611181078 1201221129 /nfs/dbraw/zinc/22/11/29/1201221129.db2.gz FIRYNMRYSUSYEN-UHFFFAOYSA-N 2 0 378.521 0.484 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@@H+]1C ZINC001079135794 1201247608 /nfs/dbraw/zinc/24/76/08/1201247608.db2.gz NEEDVOPDBSBRQS-MTQWCTHYSA-N 2 0 375.513 0.783 20 0 GCADRP C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCCO)C[C@H]2O)CC[N@@H+]1C ZINC001079135978 1201247697 /nfs/dbraw/zinc/24/76/97/1201247697.db2.gz YQUHUTYHDIWURB-VBSBHUPXSA-N 2 0 375.513 0.783 20 0 GCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000495365197 1201302569 /nfs/dbraw/zinc/30/25/69/1201302569.db2.gz ZUQCIXBLGLBREW-JKSUJKDBSA-N 2 0 383.537 0.026 20 0 GCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513468 1201403686 /nfs/dbraw/zinc/40/36/86/1201403686.db2.gz ZPXIMOHDWURISN-JAKSCESISA-N 2 0 380.577 0.699 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084357384 1201411598 /nfs/dbraw/zinc/41/15/98/1201411598.db2.gz YHMUKYMHYAJNSI-YYIAUSFCSA-N 2 0 376.501 0.398 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(Cc4cccc(C(N)=O)c4)C[C@H]32)O1 ZINC001084447598 1201412151 /nfs/dbraw/zinc/41/21/51/1201412151.db2.gz VCYQUVOZMRCYKK-UTRMSSBJSA-N 2 0 386.496 0.537 20 0 GCADRP CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001084447291 1201413030 /nfs/dbraw/zinc/41/30/30/1201413030.db2.gz HRQBEIQIGYQPSU-NXWXRZEISA-N 2 0 375.517 0.697 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NNC1=[NH+]CC2=CNN(C(C)(C)C)C2=N1 ZINC000731948440 1201510196 /nfs/dbraw/zinc/51/01/96/1201510196.db2.gz ZRPXLIDXAFIPNU-CYBMUJFWSA-N 2 0 378.550 0.710 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273313130 1201636596 /nfs/dbraw/zinc/63/65/96/1201636596.db2.gz LSQINLKCBOHZLW-CVEARBPZSA-N 2 0 380.558 0.625 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735590763 1201694760 /nfs/dbraw/zinc/69/47/60/1201694760.db2.gz SRJDHXZEUNATQK-UHFFFAOYSA-N 2 0 377.489 0.071 20 0 GCADRP C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@H]1CCC[NH+](C)C1 ZINC000741253778 1201769464 /nfs/dbraw/zinc/76/94/64/1201769464.db2.gz XKMXDKGVOZFXSU-HNNXBMFYSA-N 2 0 379.505 0.936 20 0 GCADRP Cc1nccn1CCCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000743602703 1201821016 /nfs/dbraw/zinc/82/10/16/1201821016.db2.gz NHAPXJXLAXRNLF-UHFFFAOYSA-N 2 0 385.534 0.780 20 0 GCADRP C[NH+]1CCC(NC(=O)c2ccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)nn2)CC1 ZINC001168879586 1201928200 /nfs/dbraw/zinc/92/82/00/1201928200.db2.gz MWMLLVOSUIHAGQ-UHFFFAOYSA-N 2 0 393.455 0.402 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001169167747 1201934425 /nfs/dbraw/zinc/93/44/25/1201934425.db2.gz KZYOTIARQBJZOT-CABCVRRESA-N 2 0 376.505 0.534 20 0 GCADRP COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC2 ZINC001169179755 1201937931 /nfs/dbraw/zinc/93/79/31/1201937931.db2.gz ZQZOASXYZOUHRF-UHFFFAOYSA-N 2 0 380.489 0.759 20 0 GCADRP CC[NH+]1CCC([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001169230331 1201940162 /nfs/dbraw/zinc/94/01/62/1201940162.db2.gz YGXVRWICBIHQEG-UHFFFAOYSA-N 3 0 391.553 0.102 20 0 GCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109295196 1202014814 /nfs/dbraw/zinc/01/48/14/1202014814.db2.gz ZPGVUKIZGDRTHQ-XWSJACJDSA-N 2 0 378.517 0.202 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCNC(C)=O)CC[N@@H+]1C ZINC001109306365 1202018774 /nfs/dbraw/zinc/01/87/74/1202018774.db2.gz WUDXNIQYYWEVNH-SPOLIRPYSA-N 2 0 380.533 0.591 20 0 GCADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001109418169 1202041278 /nfs/dbraw/zinc/04/12/78/1202041278.db2.gz ZYOSCUMWVLDVDT-YVSFHVDLSA-N 2 0 376.501 0.731 20 0 GCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001109426853 1202046340 /nfs/dbraw/zinc/04/63/40/1202046340.db2.gz BAXAEEPZIUVVMM-AESZEHBQSA-N 2 0 379.505 0.236 20 0 GCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589923 1202086356 /nfs/dbraw/zinc/08/63/56/1202086356.db2.gz KEBDDCDPFCKWHI-SQNIBIBYSA-N 2 0 380.533 0.735 20 0 GCADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001109653875 1202098990 /nfs/dbraw/zinc/09/89/90/1202098990.db2.gz KNQZCVMYQJQGRU-QPSCCSFWSA-N 2 0 381.439 0.990 20 0 GCADRP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001110014734 1202175257 /nfs/dbraw/zinc/17/52/57/1202175257.db2.gz GKVOUCMFLYGCOA-BDXSIMOUSA-N 2 0 380.533 0.423 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000790209524 1205458932 /nfs/dbraw/zinc/45/89/32/1205458932.db2.gz OGFUIYFJQLLRQG-QZTJIDSGSA-N 2 0 381.565 0.367 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000790209525 1205459015 /nfs/dbraw/zinc/45/90/15/1205459015.db2.gz OGFUIYFJQLLRQG-ROUUACIJSA-N 2 0 381.565 0.367 20 0 GCADRP Cc1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])[n+]([O-])c1 ZINC001170391090 1205491314 /nfs/dbraw/zinc/49/13/14/1205491314.db2.gz LBTYPWGFTYCAAQ-BEIYGRMHSA-N 2 0 396.532 0.902 20 0 GCADRP COc1cnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])nc1 ZINC001170391481 1205491318 /nfs/dbraw/zinc/49/13/18/1205491318.db2.gz YRBBZLYAJRPDSS-XEQYVGRISA-N 2 0 397.520 0.759 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc[n+]2[O-])[C@@H](O)OC(C)(C)C)C1 ZINC001170389386 1205491327 /nfs/dbraw/zinc/49/13/27/1205491327.db2.gz CPSPMRDJRZAYKW-YDRHNJASSA-N 2 0 382.505 0.593 20 0 GCADRP Cn1ccccc1=[N+]([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1N ZINC001170389496 1205491342 /nfs/dbraw/zinc/49/13/42/1205491342.db2.gz QZBYNZAHYQAYEU-BGJMDTOESA-N 2 0 381.541 0.785 20 0 GCADRP Cc1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])[n+]([O-])c1 ZINC001170391092 1205491360 /nfs/dbraw/zinc/49/13/60/1205491360.db2.gz LBTYPWGFTYCAAQ-BGJMDTOESA-N 2 0 396.532 0.902 20 0 GCADRP Cn1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ncc1=O ZINC001170391689 1205491372 /nfs/dbraw/zinc/49/13/72/1205491372.db2.gz DQTJBWJTCQFRIH-TZUPDSNESA-N 2 0 397.520 0.054 20 0 GCADRP Cn1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ccc1=O ZINC001170397342 1205491529 /nfs/dbraw/zinc/49/15/29/1205491529.db2.gz VCLXHJVKWFPOGZ-AJFIWVJRSA-N 2 0 396.532 0.659 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(N)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170392063 1205491531 /nfs/dbraw/zinc/49/15/31/1205491531.db2.gz OULLVMATDGNYSL-YLVYSCNESA-N 2 0 382.509 0.332 20 0 GCADRP C[n+]1cccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170397083 1205491535 /nfs/dbraw/zinc/49/15/35/1205491535.db2.gz FRNLKQQFZSLSNA-HZZCBIDNSA-N 3 0 381.541 0.785 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc[n+]([O-])c2)[C@H](O)OC(C)(C)C)C1 ZINC001170395838 1205491544 /nfs/dbraw/zinc/49/15/44/1205491544.db2.gz ODBWKVRUKUVBSX-OGCZYDBJSA-N 2 0 382.505 0.593 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(N)nc2)[C@H](O)OC(C)(C)C)C1 ZINC001170392314 1205491565 /nfs/dbraw/zinc/49/15/65/1205491565.db2.gz PDRUZHOPHRSUFP-KDUQRTNCSA-N 2 0 382.509 0.332 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCCCC1 ZINC000793715882 1205503395 /nfs/dbraw/zinc/50/33/95/1205503395.db2.gz JIXDMRMQJXQQAL-INIZCTEOSA-N 2 0 395.548 0.036 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793702991 1205504541 /nfs/dbraw/zinc/50/45/41/1205504541.db2.gz VNMDGLWGVQTAKB-DLBZAZTESA-N 2 0 379.549 0.262 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000793705567 1205504611 /nfs/dbraw/zinc/50/46/11/1205504611.db2.gz FJXHWSKPTBRHRF-CEXWTWQISA-N 2 0 393.576 0.461 20 0 GCADRP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912718 1205522952 /nfs/dbraw/zinc/52/29/52/1205522952.db2.gz WZWFJBBXJFQNRY-NRSFXHEJSA-N 2 0 378.521 0.775 20 0 GCADRP COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)n1 ZINC001137530703 1205543859 /nfs/dbraw/zinc/54/38/59/1205543859.db2.gz CLKRWULGEUAPNU-UHFFFAOYSA-N 2 0 375.517 0.760 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NCCN(C)CC[NH3+] ZINC001170499764 1205550144 /nfs/dbraw/zinc/55/01/44/1205550144.db2.gz VEXJQDIEQNPBBM-OAHLLOKOSA-N 2 0 381.521 0.490 20 0 GCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130596913 1205554931 /nfs/dbraw/zinc/55/49/31/1205554931.db2.gz WQYLJDRCAPQTAG-CWLKWCNXSA-N 2 0 390.532 0.171 20 0 GCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000806505208 1205558133 /nfs/dbraw/zinc/55/81/33/1205558133.db2.gz VZBDXEBXRNUIMX-KURKYZTESA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806730727 1205565772 /nfs/dbraw/zinc/56/57/72/1205565772.db2.gz ZRNJEVRQTAAULS-UHFFFAOYSA-N 2 0 378.517 0.482 20 0 GCADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994089 1205585013 /nfs/dbraw/zinc/58/50/13/1205585013.db2.gz FRZYNXSTXAHBCO-YLFCFFPRSA-N 2 0 390.532 0.171 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000808344764 1205605806 /nfs/dbraw/zinc/60/58/06/1205605806.db2.gz WYBAHHUSZVKREK-NJAFHUGGSA-N 2 0 380.533 0.471 20 0 GCADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001170552673 1205607260 /nfs/dbraw/zinc/60/72/60/1205607260.db2.gz UVRVNOULFGUHSP-IAGOWNOFSA-N 2 0 380.533 0.498 20 0 GCADRP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131500386 1205613332 /nfs/dbraw/zinc/61/33/32/1205613332.db2.gz UXLJHKWADRECFU-MYZZLAAOSA-N 2 0 380.533 0.448 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170563562 1205613459 /nfs/dbraw/zinc/61/34/59/1205613459.db2.gz MGGLHNLVAQICMS-ZOBUZTSGSA-N 2 0 394.516 0.976 20 0 GCADRP CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000809633982 1205627961 /nfs/dbraw/zinc/62/79/61/1205627961.db2.gz YQZGKPKZFHLUGM-GPANFISMSA-N 2 0 382.505 0.565 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)CN1C(=O)OC(C)(C)C ZINC001170612743 1205641057 /nfs/dbraw/zinc/64/10/57/1205641057.db2.gz GZUWKAVZPZFYAI-IHRRRGAJSA-N 2 0 387.477 0.655 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170774672 1205697264 /nfs/dbraw/zinc/69/72/64/1205697264.db2.gz MMYRABWLWJHGRH-IMJJTQAJSA-N 2 0 380.489 0.179 20 0 GCADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCCOCC1 ZINC001170788024 1205705194 /nfs/dbraw/zinc/70/51/94/1205705194.db2.gz PAKZIEKEGGMZAA-SFHVURJKSA-N 2 0 378.510 0.187 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172013377 1205711447 /nfs/dbraw/zinc/71/14/47/1205711447.db2.gz HWKFVXMRRAGLEY-BPQIPLTHSA-N 2 0 378.517 0.251 20 0 GCADRP COC(=O)[C@H](CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)NC(=O)CNC(C)=O ZINC001172112797 1205713037 /nfs/dbraw/zinc/71/30/37/1205713037.db2.gz FGHXERYHWLPOFE-MHORFTMASA-N 2 0 396.532 0.556 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172176918 1205714118 /nfs/dbraw/zinc/71/41/18/1205714118.db2.gz ZHJOMAMJNFVYDE-VSZNYVQBSA-N 2 0 378.517 0.251 20 0 GCADRP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001172618633 1205716533 /nfs/dbraw/zinc/71/65/33/1205716533.db2.gz WRPCKZNQNDEEPW-QZTJIDSGSA-N 2 0 394.560 0.888 20 0 GCADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001172601340 1205716549 /nfs/dbraw/zinc/71/65/49/1205716549.db2.gz KCKQPKKXTJCCKH-SJORKVTESA-N 2 0 376.494 0.333 20 0 GCADRP CC(C)OC(=O)CC[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001172744609 1205717388 /nfs/dbraw/zinc/71/73/88/1205717388.db2.gz CVQLKGPPJANAEV-QGZVFWFLSA-N 2 0 378.510 0.721 20 0 GCADRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001172799409 1205717697 /nfs/dbraw/zinc/71/76/97/1205717697.db2.gz PEHBYAMVTXWRQY-QZTJIDSGSA-N 2 0 390.521 0.723 20 0 GCADRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001173110634 1205718647 /nfs/dbraw/zinc/71/86/47/1205718647.db2.gz QEKSJKHMPUTCEP-OLGJIQAVSA-N 2 0 398.548 0.800 20 0 GCADRP COc1cccc2c1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CO2 ZINC001173163587 1205719087 /nfs/dbraw/zinc/71/90/87/1205719087.db2.gz LRCRKEHWEJVOBD-QGZVFWFLSA-N 2 0 398.500 0.613 20 0 GCADRP CC[N@@H+]1CC[C@H](N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001173352983 1205719581 /nfs/dbraw/zinc/71/95/81/1205719581.db2.gz CCDIXSWRGDXSHJ-DYKIIFRCSA-N 3 0 386.581 0.850 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)c2cc(N(C)C)ncn2)C1 ZINC001173360421 1205719872 /nfs/dbraw/zinc/71/98/72/1205719872.db2.gz DBSAVXNUAXQRPX-MRXNPFEDSA-N 2 0 384.532 0.986 20 0 GCADRP COc1ccc(C(=O)N2CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC2)cc1 ZINC001173401087 1205720228 /nfs/dbraw/zinc/72/02/28/1205720228.db2.gz BRVGKSVNYMEPKJ-UHFFFAOYSA-N 2 0 380.449 0.438 20 0 GCADRP COC(=O)CCCC[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001173446263 1205721272 /nfs/dbraw/zinc/72/12/72/1205721272.db2.gz VGFPEWBKJFHLLA-KRWDZBQOSA-N 2 0 378.510 0.723 20 0 GCADRP Cn1nnc2c1CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]2COCC[NH+]1CCCC1 ZINC001178691658 1205792276 /nfs/dbraw/zinc/79/22/76/1205792276.db2.gz GJZFIXBVWLJXKU-ROUUACIJSA-N 2 0 390.532 0.838 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1=NO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001179233530 1205806882 /nfs/dbraw/zinc/80/68/82/1205806882.db2.gz NONQCLPDPFRVNC-QWHCGFSZSA-N 2 0 396.492 0.672 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC001180345894 1205821909 /nfs/dbraw/zinc/82/19/09/1205821909.db2.gz YUMRIKQFNUJHLB-RTBURBONSA-N 2 0 382.549 0.208 20 0 GCADRP COc1cc(N(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C2CC[NH2+]CC2)ccn1 ZINC001180611305 1205828616 /nfs/dbraw/zinc/82/86/16/1205828616.db2.gz ZHDXYLFCNIIKEB-UHFFFAOYSA-N 2 0 389.500 0.763 20 0 GCADRP C[NH+]1CCN(c2cccc(CNC(=O)CC[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC001180612443 1205828852 /nfs/dbraw/zinc/82/88/52/1205828852.db2.gz NVMYAOZWCHWPGQ-UHFFFAOYSA-N 2 0 387.528 0.642 20 0 GCADRP CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001181047564 1205838025 /nfs/dbraw/zinc/83/80/25/1205838025.db2.gz XAZXNBUYOPGOQM-LBPRGKRZSA-N 2 0 387.481 0.507 20 0 GCADRP O=C(CC12CCC[NH+]1CCC2)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001181110985 1205838555 /nfs/dbraw/zinc/83/85/55/1205838555.db2.gz RYSUHXBREFPXCY-UHFFFAOYSA-N 2 0 392.525 0.951 20 0 GCADRP C[C@H](O)CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181356010 1205842535 /nfs/dbraw/zinc/84/25/35/1205842535.db2.gz IUVRTGNRQSIAQH-OMDWYFEUSA-N 2 0 375.510 0.053 20 0 GCADRP CO[C@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181459753 1205844197 /nfs/dbraw/zinc/84/41/97/1205844197.db2.gz HPLXJXQZIBMPKF-IHFPKREYSA-N 2 0 375.510 0.317 20 0 GCADRP COC(=O)[C@H]1C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCN1C(=O)OC(C)(C)C ZINC001181490002 1205844735 /nfs/dbraw/zinc/84/47/35/1205844735.db2.gz UDCSKIWXZPLXEP-CHWSQXEVSA-N 2 0 399.492 0.636 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001182002053 1205853214 /nfs/dbraw/zinc/85/32/14/1205853214.db2.gz WVRHDQFNZKZYAH-KRWDZBQOSA-N 2 0 380.514 0.807 20 0 GCADRP [NH3+]CCN(CCNC(=O)CC1CC[NH+](Cc2ccccc2)CC1)N(O)N=O ZINC001182044694 1205854186 /nfs/dbraw/zinc/85/41/86/1205854186.db2.gz FQEGTADFPXUXNU-UHFFFAOYSA-N 2 0 378.477 0.953 20 0 GCADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182553472 1205875705 /nfs/dbraw/zinc/87/57/05/1205875705.db2.gz OCPNYWXSNDVVHV-HNNXBMFYSA-N 2 0 382.486 0.483 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(=O)C2CC2)[C@H](O)OC(C)(C)C)C1 ZINC001182671405 1205878126 /nfs/dbraw/zinc/87/81/26/1205878126.db2.gz IPMLNJXIWCXMKF-SLUQVRSJSA-N 2 0 385.505 0.261 20 0 GCADRP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)NCC[NH2+]CCO)CC2)C1 ZINC001183157459 1205888701 /nfs/dbraw/zinc/88/87/01/1205888701.db2.gz LUZGDFGUDPLGKL-INIZCTEOSA-N 2 0 384.521 0.406 20 0 GCADRP CN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814366 1205900593 /nfs/dbraw/zinc/90/05/93/1205900593.db2.gz DHMXVOKQOHQEII-AWEZNQCLSA-N 2 0 384.525 0.779 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1COC(C)(C)OC1)CC2 ZINC001184454310 1205910656 /nfs/dbraw/zinc/91/06/56/1205910656.db2.gz GZNVUZNAGTVSAC-UHFFFAOYSA-N 2 0 396.532 0.082 20 0 GCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC001185244638 1205918674 /nfs/dbraw/zinc/91/86/74/1205918674.db2.gz LLUOGTVOVGPDNY-GOSISDBHSA-N 2 0 380.533 0.498 20 0 GCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCN3C)CC[C@@H]21 ZINC001185253256 1205919312 /nfs/dbraw/zinc/91/93/12/1205919312.db2.gz WIWOUWLQJZMWKX-FUMNGEBKSA-N 2 0 388.560 0.829 20 0 GCADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCN3C)CC[C@@H]21 ZINC001185253258 1205919337 /nfs/dbraw/zinc/91/93/37/1205919337.db2.gz WIWOUWLQJZMWKX-FYQPLNBISA-N 2 0 388.560 0.829 20 0 GCADRP CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185843303 1205930393 /nfs/dbraw/zinc/93/03/93/1205930393.db2.gz MZKMZNPMKPZMQS-STQMWFEESA-N 2 0 385.465 0.246 20 0 GCADRP C[NH+](C)CCN(C(=O)CN1CC[C@H](O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044730 1205933766 /nfs/dbraw/zinc/93/37/66/1205933766.db2.gz JMTVREMTUQMLAA-IRXDYDNUSA-N 2 0 398.548 0.843 20 0 GCADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2ccccc2N2CC[NH+](C)CC2)O1 ZINC001186905010 1205951282 /nfs/dbraw/zinc/95/12/82/1205951282.db2.gz GOTJEFHBKYAWLZ-QWFCFKBJSA-N 2 0 376.501 0.893 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001188582734 1205987998 /nfs/dbraw/zinc/98/79/98/1205987998.db2.gz XFUIWFIIIFEWBE-XRDYDQJJSA-N 2 0 382.505 0.924 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1n[nH]cc1I ZINC001189144756 1205998048 /nfs/dbraw/zinc/99/80/48/1205998048.db2.gz DWAZEQBMSJNBBF-UHFFFAOYSA-N 2 0 378.218 0.692 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(CN2CCOCC2)on1 ZINC001190202499 1206030034 /nfs/dbraw/zinc/03/00/34/1206030034.db2.gz IDFKEYBQHOXLFF-UHFFFAOYSA-N 2 0 381.521 0.852 20 0 GCADRP COC(=O)[C@H](C)NC(=O)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001190537801 1206038441 /nfs/dbraw/zinc/03/84/41/1206038441.db2.gz BWHINUARALIIDX-INIZCTEOSA-N 2 0 395.548 0.434 20 0 GCADRP CC(C)N(C)Cc1nn(-c2ncccc2C(=O)N2CC[NH2+]CC2)c2c1CC[NH2+]C2 ZINC001164681304 719630584 /nfs/dbraw/zinc/63/05/84/719630584.db2.gz GMOFYLYVUBXHJC-UHFFFAOYSA-N 2 0 397.527 0.799 20 0 GCADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164684495 719699056 /nfs/dbraw/zinc/69/90/56/719699056.db2.gz IWEFKDQGJDKEQD-UHFFFAOYSA-N 2 0 378.908 0.957 20 0 GCADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164740371 720726408 /nfs/dbraw/zinc/72/64/08/720726408.db2.gz KJSJGPCVSVLVND-QZTJIDSGSA-N 2 0 395.511 0.965 20 0 GCADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164740387 720729772 /nfs/dbraw/zinc/72/97/72/720729772.db2.gz KMELXUMVFLZXPS-IAGOWNOFSA-N 2 0 396.499 0.536 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164765233 721092141 /nfs/dbraw/zinc/09/21/41/721092141.db2.gz ISQIVZBTTDRVQI-MSOLQXFVSA-N 2 0 382.516 0.578 20 0 GCADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@@H+]3C2)c1 ZINC001164862831 721096246 /nfs/dbraw/zinc/09/62/46/721096246.db2.gz BBAZJHGPUGQPAP-MOPGFXCFSA-N 2 0 395.511 0.761 20 0 GCADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164890585 721394733 /nfs/dbraw/zinc/39/47/33/721394733.db2.gz OLYAUUUTIVAXGS-UTKZUKDTSA-N 2 0 386.544 0.888 20 0 GCADRP CC[NH+](CC)C1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001165052599 722000172 /nfs/dbraw/zinc/00/01/72/722000172.db2.gz VQNBLLIUQCHVGI-UHFFFAOYSA-N 2 0 381.546 0.879 20 0 GCADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001571285057 945907283 /nfs/dbraw/zinc/90/72/83/945907283.db2.gz XSEVYNNLBPQMAP-SJORKVTESA-N 2 0 387.488 0.524 20 0 GCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824414160 946698337 /nfs/dbraw/zinc/69/83/37/946698337.db2.gz VWKQNEGTTHMLLN-HNNXBMFYSA-N 2 0 395.515 0.993 20 0 GCADRP C[NH+]1CCC(O)(C[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826028831 947410554 /nfs/dbraw/zinc/41/05/54/947410554.db2.gz JDSLUMYZFYTHCA-UHFFFAOYSA-N 2 0 385.516 0.877 20 0 GCADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574706455 949455214 /nfs/dbraw/zinc/45/52/14/949455214.db2.gz YKXUJVKMGXDCGD-GFCCVEGCSA-N 2 0 375.502 0.961 20 0 GCADRP CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573818218 949726342 /nfs/dbraw/zinc/72/63/42/949726342.db2.gz IJHGIQJRIITTNM-OAHLLOKOSA-N 2 0 384.488 0.722 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)NC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001576204897 950482645 /nfs/dbraw/zinc/48/26/45/950482645.db2.gz RZSAASXAUNEFCC-CQSZACIVSA-N 2 0 384.488 0.866 20 0 GCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576205842 950542880 /nfs/dbraw/zinc/54/28/80/950542880.db2.gz QFYVLGCISDKYPU-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575918660 950601263 /nfs/dbraw/zinc/60/12/63/950601263.db2.gz DOICUEXGLUJNKN-GDBMZVCRSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576208134 950604956 /nfs/dbraw/zinc/60/49/56/950604956.db2.gz NDBSYVBTORCLJH-QWHCGFSZSA-N 2 0 375.452 0.942 20 0 GCADRP CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576209211 950623998 /nfs/dbraw/zinc/62/39/98/950623998.db2.gz YUIAUTPKMCRHIP-GDBMZVCRSA-N 2 0 386.504 0.968 20 0 GCADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576230283 950999199 /nfs/dbraw/zinc/99/91/99/950999199.db2.gz AMQQMIQLTUXNLY-KGLIPLIRSA-N 2 0 382.472 0.286 20 0 GCADRP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574774542 951009150 /nfs/dbraw/zinc/00/91/50/951009150.db2.gz CZIDFOMTJJLJDS-JSGCOSHPSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077302 951666745 /nfs/dbraw/zinc/66/67/45/951666745.db2.gz FMVDELFTHANZQF-CYBMUJFWSA-N 2 0 387.463 0.944 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078044 951677233 /nfs/dbraw/zinc/67/72/33/951677233.db2.gz JNEPOKVFUQKJJW-GXTWGEPZSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078045 951677346 /nfs/dbraw/zinc/67/73/46/951677346.db2.gz JNEPOKVFUQKJJW-JSGCOSHPSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079055 951687897 /nfs/dbraw/zinc/68/78/97/951687897.db2.gz PARHETRKTCNTMJ-ZDUSSCGKSA-N 2 0 387.463 0.944 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575091652 951780138 /nfs/dbraw/zinc/78/01/38/951780138.db2.gz TZOPZJJBLXDMNE-JSGCOSHPSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575101100 951853620 /nfs/dbraw/zinc/85/36/20/951853620.db2.gz ZKYCEZGWAUXVDL-LBPRGKRZSA-N 2 0 375.502 0.866 20 0 GCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103000 951872485 /nfs/dbraw/zinc/87/24/85/951872485.db2.gz QKJBPEQHMSHSJM-CYBMUJFWSA-N 2 0 387.463 0.944 20 0 GCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575145015 952176922 /nfs/dbraw/zinc/17/69/22/952176922.db2.gz OEUJNPPKWMVAPR-QWHCGFSZSA-N 2 0 381.444 0.402 20 0 GCADRP O=C(N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001571172141 952803092 /nfs/dbraw/zinc/80/30/92/952803092.db2.gz NPXIUAHRZPHZJT-OKILXGFUSA-N 2 0 380.456 0.252 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571189974 952937129 /nfs/dbraw/zinc/93/71/29/952937129.db2.gz BHQXYTDUUAJHDM-LZLYRXPVSA-N 2 0 381.484 0.851 20 0 GCADRP Cc1cc(N[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571212248 953085971 /nfs/dbraw/zinc/08/59/71/953085971.db2.gz KAFBGXDALDQPLP-CQSZACIVSA-N 2 0 382.472 0.491 20 0 GCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001571250226 953309325 /nfs/dbraw/zinc/30/93/25/953309325.db2.gz OPPDJGFVLQCZIC-ZFWWWQNUSA-N 2 0 384.488 0.817 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(I)cc1 ZINC000591450058 530408294 /nfs/dbraw/zinc/40/82/94/530408294.db2.gz QUFNUTZTFUUYGR-UHFFFAOYSA-N 2 0 397.282 0.980 20 0 GCADRP C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)C(=O)NCC[NH3+] ZINC000415266467 530501927 /nfs/dbraw/zinc/50/19/27/530501927.db2.gz HKPSZVQMUSFUDF-LLVKDONJSA-N 2 0 398.305 0.603 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCn1cc(Br)cn1 ZINC000567779206 530548355 /nfs/dbraw/zinc/54/83/55/530548355.db2.gz FKCLMQXFTWCWBV-UHFFFAOYSA-N 2 0 375.315 0.780 20 0 GCADRP COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000327755001 530578537 /nfs/dbraw/zinc/57/85/37/530578537.db2.gz HBSXUDYKNNGZBF-JKSUJKDBSA-N 2 0 375.535 0.616 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCC(=O)OC ZINC000470764005 530696474 /nfs/dbraw/zinc/69/64/74/530696474.db2.gz DUAWMDTYCCHJDL-HNNXBMFYSA-N 2 0 378.539 0.074 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000498341215 530711701 /nfs/dbraw/zinc/71/17/01/530711701.db2.gz QVELUQBRHHLRHL-UHFFFAOYSA-N 2 0 376.548 0.741 20 0 GCADRP CS[C@H]1CN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@@H]1[NH+](C)C ZINC000480938113 530773836 /nfs/dbraw/zinc/77/38/36/530773836.db2.gz XJMZXMVRDARNQU-GJZGRUSLSA-N 2 0 389.591 0.728 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000521465010 530939498 /nfs/dbraw/zinc/93/94/98/530939498.db2.gz KUEIMUKMJBIWEC-ZDUSSCGKSA-N 2 0 388.559 0.884 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000512667907 530944380 /nfs/dbraw/zinc/94/43/80/530944380.db2.gz RVRCDWMCELZNNC-INIZCTEOSA-N 2 0 376.567 0.726 20 0 GCADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000631912371 530950822 /nfs/dbraw/zinc/95/08/22/530950822.db2.gz IZUWYSGCAPYMQT-UHFFFAOYSA-N 2 0 376.592 0.866 20 0 GCADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000631950621 530952724 /nfs/dbraw/zinc/95/27/24/530952724.db2.gz MMNUKCZHLWZLHX-WWGRRREGSA-N 2 0 375.441 0.318 20 0 GCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000631954672 530953691 /nfs/dbraw/zinc/95/36/91/530953691.db2.gz TXNHPPNZMIHZIQ-KGLIPLIRSA-N 2 0 386.484 0.413 20 0 GCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000631954671 530953746 /nfs/dbraw/zinc/95/37/46/530953746.db2.gz TXNHPPNZMIHZIQ-KBPBESRZSA-N 2 0 386.484 0.413 20 0 GCADRP COCCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000192767506 530972570 /nfs/dbraw/zinc/97/25/70/530972570.db2.gz NJARSYAAOLWXIY-SFHVURJKSA-N 2 0 375.579 0.928 20 0 GCADRP CCCS(=O)(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420465689 530968180 /nfs/dbraw/zinc/96/81/80/530968180.db2.gz ZACMJYAQQRZLNM-UHFFFAOYSA-N 2 0 377.532 0.559 20 0 GCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662403427 531020534 /nfs/dbraw/zinc/02/05/34/531020534.db2.gz WHCDDLJGQMBPNC-ZDUSSCGKSA-N 2 0 380.392 0.404 20 0 GCADRP CCS(=O)(=O)NCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130642449 531072032 /nfs/dbraw/zinc/07/20/32/531072032.db2.gz JOFIXSFQVYMFGY-UHFFFAOYSA-N 2 0 376.567 0.342 20 0 GCADRP CN(CCNC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000438363843 531153977 /nfs/dbraw/zinc/15/39/77/531153977.db2.gz MBRUIYHZXSVBOQ-LSDHHAIUSA-N 2 0 388.603 0.436 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736859273 599080613 /nfs/dbraw/zinc/08/06/13/599080613.db2.gz YIAWIQTVOIHSTF-MRXNPFEDSA-N 2 0 398.515 0.907 20 0 GCADRP C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000736166890 598700847 /nfs/dbraw/zinc/70/08/47/598700847.db2.gz DBBGIUPRTBQHTD-CQSZACIVSA-N 2 0 375.477 0.586 20 0 GCADRP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000738450818 599452972 /nfs/dbraw/zinc/45/29/72/599452972.db2.gz XVWKSCGZPJFFHB-KGLIPLIRSA-N 2 0 387.492 0.195 20 0 GCADRP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000738450815 599453336 /nfs/dbraw/zinc/45/33/36/599453336.db2.gz XVWKSCGZPJFFHB-KBPBESRZSA-N 2 0 387.492 0.195 20 0 GCADRP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000788070620 640021479 /nfs/dbraw/zinc/02/14/79/640021479.db2.gz IWHIMRKPQXWOPS-ZDUSSCGKSA-N 2 0 378.926 0.872 20 0 GCADRP CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000742291050 640240357 /nfs/dbraw/zinc/24/03/57/640240357.db2.gz WYFFBUISGNDRKK-UHFFFAOYSA-N 2 0 378.539 0.362 20 0 GCADRP COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000751066587 640374214 /nfs/dbraw/zinc/37/42/14/640374214.db2.gz GPIBGHGLPMOFQY-UHFFFAOYSA-N 2 0 392.909 0.636 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870020104 641432275 /nfs/dbraw/zinc/43/22/75/641432275.db2.gz CRURNKBWKGXZTC-KFWWJZLASA-N 2 0 376.567 0.148 20 0 GCADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2COc3cccc(Br)c3C2)CC1 ZINC000872234813 641465675 /nfs/dbraw/zinc/46/56/75/641465675.db2.gz IMERSKAVBLORNK-UONOGXRCSA-N 2 0 384.318 0.951 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[S@](=O)CC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000875716672 641551438 /nfs/dbraw/zinc/55/14/38/641551438.db2.gz QJDPUBPJWFCTQV-DSGZJRDPSA-N 2 0 386.484 0.678 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849358 641659419 /nfs/dbraw/zinc/65/94/19/641659419.db2.gz PCCHOKCATMQHMI-FATZIPQQSA-N 2 0 383.584 0.154 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000809528631 641709645 /nfs/dbraw/zinc/70/96/45/641709645.db2.gz BWBVIPAAUAYULQ-RBSFLKMASA-N 2 0 388.603 0.434 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)CCSC1 ZINC000884612921 641786894 /nfs/dbraw/zinc/78/68/94/641786894.db2.gz XUIGRYFJSIPPQD-INIZCTEOSA-N 2 0 383.543 0.040 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCSC1 ZINC000884612281 641787128 /nfs/dbraw/zinc/78/71/28/641787128.db2.gz IRRLCNKVXQEFBG-MJVIPROJSA-N 2 0 382.452 0.136 20 0 GCADRP CS(=O)(=O)[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000800467382 642082688 /nfs/dbraw/zinc/08/26/88/642082688.db2.gz XVKWJYKNNWLPBM-IYBDPMFKSA-N 2 0 380.576 0.785 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000858612296 642961792 /nfs/dbraw/zinc/96/17/92/642961792.db2.gz IZRFKWPRMLVNKM-UHFFFAOYSA-N 2 0 382.408 0.876 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CCO1 ZINC000662950357 1192166135 /nfs/dbraw/zinc/16/61/35/1192166135.db2.gz GTTHAPLHESVOSO-UHOSZYNNSA-N 2 0 388.512 0.336 20 0 GCADRP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652347628 1192200247 /nfs/dbraw/zinc/20/02/47/1192200247.db2.gz HKEUNMVAPDLQDY-PNYFIKQUSA-N 2 0 388.512 0.808 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000661978969 1192210185 /nfs/dbraw/zinc/21/01/85/1192210185.db2.gz RAVFYNLFBUQQPQ-LJQANCHMSA-N 2 0 380.533 0.994 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000661980359 1192211379 /nfs/dbraw/zinc/21/13/79/1192211379.db2.gz AUROIRUNCWJPKQ-CEXWTWQISA-N 2 0 380.533 0.917 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000652432953 1192221422 /nfs/dbraw/zinc/22/14/22/1192221422.db2.gz JESNSTGVXUOCTC-LJQANCHMSA-N 2 0 393.576 0.558 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000652624315 1192258084 /nfs/dbraw/zinc/25/80/84/1192258084.db2.gz GOQZAYVTABYCSH-IAGOWNOFSA-N 2 0 392.504 0.128 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000636676511 1192256636 /nfs/dbraw/zinc/25/66/36/1192256636.db2.gz JHRKSUQHXDATOC-MOPGFXCFSA-N 2 0 388.512 0.522 20 0 GCADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000662245183 1192269285 /nfs/dbraw/zinc/26/92/85/1192269285.db2.gz RVWZATDRLJNNDH-MRXNPFEDSA-N 2 0 380.514 0.239 20 0 GCADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H]1CCC[NH3+] ZINC000662311205 1192282068 /nfs/dbraw/zinc/28/20/68/1192282068.db2.gz AFAWCTBKFAHABE-QZTJIDSGSA-N 2 0 395.592 0.885 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c2ccccc2)CC1 ZINC000636719337 1192282722 /nfs/dbraw/zinc/28/27/22/1192282722.db2.gz QJDAUZVDSRWJEI-MOPGFXCFSA-N 2 0 375.517 0.341 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cn1 ZINC000662475069 1192302115 /nfs/dbraw/zinc/30/21/15/1192302115.db2.gz IKXQVRBRGQPMAI-UHFFFAOYSA-N 2 0 376.486 0.520 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@](C)(C(F)F)O1 ZINC000663537330 1192377394 /nfs/dbraw/zinc/37/73/94/1192377394.db2.gz GTOVDAUXAIJTBZ-SUMWQHHRSA-N 2 0 378.464 0.209 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCCC1 ZINC000652666342 1192379565 /nfs/dbraw/zinc/37/95/65/1192379565.db2.gz DWMDAAYFNCGHIO-BBWFWOEESA-N 2 0 380.533 0.722 20 0 GCADRP CC(C)[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCN(C)CC1 ZINC000663561622 1192389877 /nfs/dbraw/zinc/38/98/77/1192389877.db2.gz UPNKVKILQBCSCV-RTBURBONSA-N 2 0 381.565 0.499 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000585716549 1192396282 /nfs/dbraw/zinc/39/62/82/1192396282.db2.gz IBTJTQLIHSMFCR-MOPGFXCFSA-N 2 0 393.576 0.461 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000585725335 1192398176 /nfs/dbraw/zinc/39/81/76/1192398176.db2.gz MSTFKHSQVGTDCT-GUDVDZBRSA-N 2 0 391.560 0.356 20 0 GCADRP C[C@]1(NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000663616236 1192419026 /nfs/dbraw/zinc/41/90/26/1192419026.db2.gz SUPKCUZNIUZVGL-FQEVSTJZSA-N 2 0 387.484 0.191 20 0 GCADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652672940 1192421474 /nfs/dbraw/zinc/42/14/74/1192421474.db2.gz ZZFQWPZRJBFEPH-JZXOWHBKSA-N 2 0 380.533 0.722 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000637220123 1192449624 /nfs/dbraw/zinc/44/96/24/1192449624.db2.gz HIOFAJUGWMPQSV-VAMGGRTRSA-N 2 0 390.528 0.889 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432449561 1192450583 /nfs/dbraw/zinc/45/05/83/1192450583.db2.gz RXYJUFLRBMQKGI-QGZVFWFLSA-N 2 0 397.564 0.465 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000432448471 1192450867 /nfs/dbraw/zinc/45/08/67/1192450867.db2.gz IOVRPLVGWPVRFM-SFHVURJKSA-N 2 0 397.564 0.635 20 0 GCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652677593 1192470055 /nfs/dbraw/zinc/47/00/55/1192470055.db2.gz ADHHEJJFWSZFTI-KSZLIROESA-N 2 0 380.533 0.579 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000652678478 1192497710 /nfs/dbraw/zinc/49/77/10/1192497710.db2.gz CVQLHQHZRBBOHO-UHFFFAOYSA-N 2 0 376.501 0.749 20 0 GCADRP CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+]1CCOC ZINC000637375748 1192518701 /nfs/dbraw/zinc/51/87/01/1192518701.db2.gz RRMXQPPTRPGMRI-SJORKVTESA-N 2 0 383.537 0.469 20 0 GCADRP C[C@@H]1OCC[C@]1(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279449434 1192541746 /nfs/dbraw/zinc/54/17/46/1192541746.db2.gz KORIRNVRRSWDMP-LPHOPBHVSA-N 2 0 377.489 0.433 20 0 GCADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000512240296 1192568253 /nfs/dbraw/zinc/56/82/53/1192568253.db2.gz HRHMKLZUZMIPIB-QGZVFWFLSA-N 2 0 397.564 0.513 20 0 GCADRP CN(C)S(=O)(=O)n1cnc(-c2ccccc2NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167881619 1192569753 /nfs/dbraw/zinc/56/97/53/1192569753.db2.gz JMBSBOAOILIJJM-UHFFFAOYSA-N 2 0 379.490 0.880 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(C)(C)C[NH+](C)C ZINC000652685056 1192595544 /nfs/dbraw/zinc/59/55/44/1192595544.db2.gz BVKKTEWJNOXKAO-NXOAAHMSSA-N 2 0 382.549 0.824 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418613722 1192617514 /nfs/dbraw/zinc/61/75/14/1192617514.db2.gz JWTKGEDCZWYCSL-CABCVRRESA-N 2 0 395.470 0.215 20 0 GCADRP CC[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000418669983 1192628961 /nfs/dbraw/zinc/62/89/61/1192628961.db2.gz PWGQQNSIFFQSSN-RMRDIRSESA-N 2 0 395.548 0.120 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418760116 1192640871 /nfs/dbraw/zinc/64/08/71/1192640871.db2.gz GUIBFVWYYPTWOF-KRWDZBQOSA-N 2 0 391.516 0.447 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418788955 1192644120 /nfs/dbraw/zinc/64/41/20/1192644120.db2.gz WFALDYWPWWDCBX-SFHVURJKSA-N 2 0 387.528 0.573 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418805401 1192649708 /nfs/dbraw/zinc/64/97/08/1192649708.db2.gz ZVKLELLZAGLOQU-FQEVSTJZSA-N 2 0 389.544 0.824 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418805452 1192650156 /nfs/dbraw/zinc/65/01/56/1192650156.db2.gz NKZXNXTVWZBHCO-QZTJIDSGSA-N 2 0 392.544 0.453 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000418811324 1192652427 /nfs/dbraw/zinc/65/24/27/1192652427.db2.gz VWZXEBTUVBIUMS-UHFFFAOYSA-N 2 0 394.560 0.843 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)[NH+](C)C)cc1 ZINC000418813680 1192653502 /nfs/dbraw/zinc/65/35/02/1192653502.db2.gz JDRHXCTYYPJSKF-UAGQMJEPSA-N 2 0 376.501 0.943 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000418813517 1192653551 /nfs/dbraw/zinc/65/35/51/1192653551.db2.gz YJOWRPAMHMXLLO-IAGOWNOFSA-N 2 0 380.533 0.642 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000418823700 1192656293 /nfs/dbraw/zinc/65/62/93/1192656293.db2.gz CGYDRQNFSUDQIJ-WDSOQIARSA-N 2 0 388.512 0.589 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[NH+](C)C)cc1OC ZINC000418827316 1192657462 /nfs/dbraw/zinc/65/74/62/1192657462.db2.gz GRDSERIGRRTSRK-LZWOXQAQSA-N 2 0 392.500 0.632 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000418830724 1192658671 /nfs/dbraw/zinc/65/86/71/1192658671.db2.gz JVVFIPIIVPTFIS-CVEARBPZSA-N 2 0 392.500 0.633 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCCCC1 ZINC000418830029 1192658929 /nfs/dbraw/zinc/65/89/29/1192658929.db2.gz HOLOHCIDCHHZFT-INIZCTEOSA-N 2 0 391.520 0.281 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000418837592 1192662684 /nfs/dbraw/zinc/66/26/84/1192662684.db2.gz AWMXPPMXZIEUNO-QZTJIDSGSA-N 2 0 387.528 0.129 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000418830726 1192659608 /nfs/dbraw/zinc/65/96/08/1192659608.db2.gz JVVFIPIIVPTFIS-HZPDHXFCSA-N 2 0 392.500 0.633 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[NH+](C)C)cc1OC ZINC000418833341 1192660203 /nfs/dbraw/zinc/66/02/03/1192660203.db2.gz NEZXRACCDNXCRD-FOIQADDNSA-N 2 0 392.500 0.620 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418834380 1192660473 /nfs/dbraw/zinc/66/04/73/1192660473.db2.gz ODUUUQFDTHGIJH-GJZGRUSLSA-N 2 0 378.473 0.372 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000418841253 1192662462 /nfs/dbraw/zinc/66/24/62/1192662462.db2.gz ABDJLDGEOFWUCU-QAPCUYQASA-N 2 0 376.501 0.920 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)[NH+](C)C)cc1OC ZINC000418841978 1192663028 /nfs/dbraw/zinc/66/30/28/1192663028.db2.gz ZKQVKTKVDOSVQB-FMKPAKJESA-N 2 0 392.500 0.632 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCCC1 ZINC000418840535 1192663262 /nfs/dbraw/zinc/66/32/62/1192663262.db2.gz XXUQLBAVIDXJTC-DLBZAZTESA-N 2 0 380.533 0.722 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418847529 1192666856 /nfs/dbraw/zinc/66/68/56/1192666856.db2.gz JMAHPFLDYVGLLG-FGTMMUONSA-N 2 0 376.501 0.240 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000418855842 1192668043 /nfs/dbraw/zinc/66/80/43/1192668043.db2.gz VRLHZGNYBHXTAU-JKSUJKDBSA-N 2 0 394.541 0.742 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000418855839 1192668269 /nfs/dbraw/zinc/66/82/69/1192668269.db2.gz VRLHZGNYBHXTAU-CVEARBPZSA-N 2 0 394.541 0.742 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])C1 ZINC000418854565 1192668966 /nfs/dbraw/zinc/66/89/66/1192668966.db2.gz BQCBYEBGRIUSMB-BRWVUGGUSA-N 2 0 382.549 0.968 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000418854433 1192669362 /nfs/dbraw/zinc/66/93/62/1192669362.db2.gz TVZWPXZGLMEYMR-HZPDHXFCSA-N 2 0 394.541 0.823 20 0 GCADRP C[C@@H]([NH2+]C1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000418865448 1192669528 /nfs/dbraw/zinc/66/95/28/1192669528.db2.gz LWOMIJYOGCMNML-AEFFLSMTSA-N 2 0 388.512 0.952 20 0 GCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NCCN3CC[NH2+]CC3)CC2)CC1 ZINC000418860147 1192670252 /nfs/dbraw/zinc/67/02/52/1192670252.db2.gz BXHSWRPJZDIPFF-UHFFFAOYSA-N 2 0 379.549 0.167 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[NH+](C)C)c1 ZINC000418862283 1192671038 /nfs/dbraw/zinc/67/10/38/1192671038.db2.gz OAHNTHGCUNVVBW-COXVUDFISA-N 2 0 392.500 0.643 20 0 GCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418861459 1192671774 /nfs/dbraw/zinc/67/17/74/1192671774.db2.gz MWSUFGKZXPWTGN-RBUKOAKNSA-N 2 0 387.528 0.164 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418863776 1192672169 /nfs/dbraw/zinc/67/21/69/1192672169.db2.gz PTRRNFBKCRBRED-HKUYNNGSSA-N 2 0 387.528 0.116 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000418865342 1192672186 /nfs/dbraw/zinc/67/21/86/1192672186.db2.gz RLOVGWJJMVARRG-ROUUACIJSA-N 2 0 387.528 0.129 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418865343 1192672420 /nfs/dbraw/zinc/67/24/20/1192672420.db2.gz RLOVGWJJMVARRG-ZWKOTPCHSA-N 2 0 387.528 0.129 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418884170 1192679223 /nfs/dbraw/zinc/67/92/23/1192679223.db2.gz WGJXAMOZYZIJRS-MOPGFXCFSA-N 2 0 388.512 0.470 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H]1C[NH3+] ZINC000418878611 1192674893 /nfs/dbraw/zinc/67/48/93/1192674893.db2.gz LQSZAUYDXBPFJB-ATZDWAIDSA-N 2 0 388.512 0.455 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000418880327 1192675545 /nfs/dbraw/zinc/67/55/45/1192675545.db2.gz VHJBKPKAKHOPEA-ROUUACIJSA-N 2 0 390.484 0.134 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCCO1 ZINC000418878124 1192676188 /nfs/dbraw/zinc/67/61/88/1192676188.db2.gz LBORNBBSXANFQC-YTQUADARSA-N 2 0 388.512 0.557 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCCCC1 ZINC000418900298 1192682785 /nfs/dbraw/zinc/68/27/85/1192682785.db2.gz MKDSWUJGMGSRMI-MRXNPFEDSA-N 2 0 395.548 0.071 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000418913427 1192690119 /nfs/dbraw/zinc/69/01/19/1192690119.db2.gz DYPLHVYSYZOFQJ-GUDVDZBRSA-N 2 0 394.560 0.840 20 0 GCADRP C[N@H+](Cc1ccccc1CNC(=O)C(=O)N(CC[NH3+])CCO)C1CCCCC1 ZINC000418923147 1192692225 /nfs/dbraw/zinc/69/22/25/1192692225.db2.gz MDACXJDQNCMRHT-UHFFFAOYSA-N 2 0 390.528 0.847 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000418927320 1192693022 /nfs/dbraw/zinc/69/30/22/1192693022.db2.gz SOQCTASYYQTXTP-QZTJIDSGSA-N 2 0 380.533 0.450 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])c1ccco1 ZINC000418945577 1192698770 /nfs/dbraw/zinc/69/87/70/1192698770.db2.gz PZKZJYMNBZDRBK-HRCADAONSA-N 2 0 380.489 0.743 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418959371 1192699756 /nfs/dbraw/zinc/69/97/56/1192699756.db2.gz ZSOXCCQIZYTKHR-OKZBNKHCSA-N 2 0 394.560 0.765 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000418950655 1192699915 /nfs/dbraw/zinc/69/99/15/1192699915.db2.gz HHRKVKNZRCNUJV-OAHLLOKOSA-N 2 0 377.489 0.226 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000418955075 1192700925 /nfs/dbraw/zinc/70/09/25/1192700925.db2.gz PFOHFJKESFTSCM-RCCFBDPRSA-N 2 0 380.533 0.504 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000418960371 1192705447 /nfs/dbraw/zinc/70/54/47/1192705447.db2.gz IVGXYOGLVLTXPA-IRXDYDNUSA-N 2 0 388.512 0.986 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000418992119 1192710966 /nfs/dbraw/zinc/71/09/66/1192710966.db2.gz ZILLRZFJOLPMIB-UWWQBHOKSA-N 2 0 376.476 0.927 20 0 GCADRP CC[C@@H]1OCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000418980479 1192709003 /nfs/dbraw/zinc/70/90/03/1192709003.db2.gz FEFWQVVGTNAIGM-MSOLQXFVSA-N 2 0 388.512 0.780 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000418995522 1192713291 /nfs/dbraw/zinc/71/32/91/1192713291.db2.gz JFEKVJNZHAGSBG-QGZVFWFLSA-N 2 0 395.548 0.071 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000418995641 1192713364 /nfs/dbraw/zinc/71/33/64/1192713364.db2.gz DCVDNOSSHHFELO-OALUTQOASA-N 2 0 388.512 0.863 20 0 GCADRP C[C@@H]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000419002288 1192713652 /nfs/dbraw/zinc/71/36/52/1192713652.db2.gz ZHYDDTLXHOBHBP-AEFFLSMTSA-N 2 0 388.512 0.780 20 0 GCADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419002919 1192714068 /nfs/dbraw/zinc/71/40/68/1192714068.db2.gz CQQHFEJTQLJHSM-IBGZPJMESA-N 2 0 388.512 0.783 20 0 GCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000419011055 1192717106 /nfs/dbraw/zinc/71/71/06/1192717106.db2.gz RLGBBGCGLXANJB-SFHVURJKSA-N 2 0 376.501 0.721 20 0 GCADRP C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)cn2)CC1 ZINC000429823416 1192719961 /nfs/dbraw/zinc/71/99/61/1192719961.db2.gz UDLSBUMCSBSYNL-UHFFFAOYSA-N 2 0 375.473 0.657 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419021265 1192726257 /nfs/dbraw/zinc/72/62/57/1192726257.db2.gz GQLQTFBTHVXCDU-JFRXWTBNSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419030167 1192729438 /nfs/dbraw/zinc/72/94/38/1192729438.db2.gz SPMHZLATADCCRH-ZACQAIPSSA-N 2 0 395.548 0.069 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000410584214 1192729529 /nfs/dbraw/zinc/72/95/29/1192729529.db2.gz LEBZTGCDWBWWCE-ZHALLVOQSA-N 2 0 391.560 0.308 20 0 GCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419032071 1192731263 /nfs/dbraw/zinc/73/12/63/1192731263.db2.gz VYNRFFWJGGIZTA-BBWFWOEESA-N 2 0 382.549 0.825 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419034617 1192733639 /nfs/dbraw/zinc/73/36/39/1192733639.db2.gz FXBJCNJGNBVPNU-OALUTQOASA-N 2 0 383.496 0.318 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H](C)C1 ZINC000419038205 1192736032 /nfs/dbraw/zinc/73/60/32/1192736032.db2.gz JIAJEAQUGQTHAR-RYQLBKOJSA-N 2 0 382.549 0.873 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)[C@H](C)C1 ZINC000419038202 1192736076 /nfs/dbraw/zinc/73/60/76/1192736076.db2.gz JIAJEAQUGQTHAR-BPQIPLTHSA-N 2 0 382.549 0.873 20 0 GCADRP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237321349 1192738839 /nfs/dbraw/zinc/73/88/39/1192738839.db2.gz ROCSXEGAESNJGC-GOSISDBHSA-N 2 0 396.557 0.073 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419032557 1192733478 /nfs/dbraw/zinc/73/34/78/1192733478.db2.gz WAWMOEVTWLCLSA-PBHICJAKSA-N 2 0 376.501 0.984 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])[C@H](C)C1 ZINC000419045605 1192740243 /nfs/dbraw/zinc/74/02/43/1192740243.db2.gz WRJOLNXSRPYDND-MHORFTMASA-N 2 0 382.549 0.825 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419065927 1192759973 /nfs/dbraw/zinc/75/99/73/1192759973.db2.gz ZZYWFIYZQNGLKB-CGTJXYLNSA-N 2 0 376.501 0.493 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419098526 1192784272 /nfs/dbraw/zinc/78/42/72/1192784272.db2.gz CJSIAKSNIYYMLB-MSOLQXFVSA-N 2 0 388.512 0.508 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419098030 1192784322 /nfs/dbraw/zinc/78/43/22/1192784322.db2.gz GJWAQEQODPUTJA-UHFFFAOYSA-N 3 0 387.528 0.307 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419109799 1192790426 /nfs/dbraw/zinc/79/04/26/1192790426.db2.gz RRXGJBHPBQRCBN-INIZCTEOSA-N 2 0 376.501 0.626 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)N1CC[NH+](C)CC1 ZINC000419122428 1192794993 /nfs/dbraw/zinc/79/49/93/1192794993.db2.gz FZTLGTROGJRMKK-DLBZAZTESA-N 2 0 381.565 0.269 20 0 GCADRP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCOCC1 ZINC000419122699 1192795672 /nfs/dbraw/zinc/79/56/72/1192795672.db2.gz UEBRNAJAFWVLAB-SFHVURJKSA-N 2 0 394.560 0.842 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419110964 1192798239 /nfs/dbraw/zinc/79/82/39/1192798239.db2.gz SSOJEPRPPRBPKM-ZWKOTPCHSA-N 2 0 388.512 0.589 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000419128339 1192798589 /nfs/dbraw/zinc/79/85/89/1192798589.db2.gz AHUOUEDXRRIPRO-HNNXBMFYSA-N 2 0 376.501 0.877 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000419128340 1192798679 /nfs/dbraw/zinc/79/86/79/1192798679.db2.gz AHUOUEDXRRIPRO-OAHLLOKOSA-N 2 0 376.501 0.877 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000419138360 1192803779 /nfs/dbraw/zinc/80/37/79/1192803779.db2.gz SNQVSKISPXKIGY-OAHLLOKOSA-N 2 0 376.501 0.734 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000419138359 1192803266 /nfs/dbraw/zinc/80/32/66/1192803266.db2.gz SNQVSKISPXKIGY-HNNXBMFYSA-N 2 0 376.501 0.734 20 0 GCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419131567 1192805431 /nfs/dbraw/zinc/80/54/31/1192805431.db2.gz ALFMJVNBUDNZQC-RTBURBONSA-N 2 0 388.512 0.734 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419131565 1192805896 /nfs/dbraw/zinc/80/58/96/1192805896.db2.gz ALFMJVNBUDNZQC-RBUKOAKNSA-N 2 0 388.512 0.734 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC1 ZINC000410673331 1192806824 /nfs/dbraw/zinc/80/68/24/1192806824.db2.gz JTWAFLONLBSHCM-WMZOPIPTSA-N 2 0 382.549 0.744 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)(C)C ZINC000419135859 1192808171 /nfs/dbraw/zinc/80/81/71/1192808171.db2.gz NYESZFDIFAYVOW-JKSUJKDBSA-N 2 0 397.564 0.315 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419151055 1192810486 /nfs/dbraw/zinc/81/04/86/1192810486.db2.gz MYLJUGGNTLQIHI-DOTOQJQBSA-N 2 0 376.501 0.972 20 0 GCADRP CC[C@@H](COC)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419154569 1192811842 /nfs/dbraw/zinc/81/18/42/1192811842.db2.gz YMNJJJCBNAIPKI-KRWDZBQOSA-N 2 0 376.501 0.637 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000419141347 1192812280 /nfs/dbraw/zinc/81/22/80/1192812280.db2.gz WYCFRYQSPIWGKD-UHFFFAOYSA-N 2 0 376.501 0.749 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419146668 1192815160 /nfs/dbraw/zinc/81/51/60/1192815160.db2.gz HPHBVQOMKQFZQP-QGZVFWFLSA-N 2 0 390.532 0.281 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419146007 1192815198 /nfs/dbraw/zinc/81/51/98/1192815198.db2.gz HEFJBOUJIXYXLU-RDJZCZTQSA-N 2 0 388.516 0.083 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419146806 1192815314 /nfs/dbraw/zinc/81/53/14/1192815314.db2.gz IOELTNVCYJSEBS-FQEVSTJZSA-N 2 0 376.501 0.749 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419146006 1192815463 /nfs/dbraw/zinc/81/54/63/1192815463.db2.gz HEFJBOUJIXYXLU-NVXWUHKLSA-N 2 0 388.516 0.083 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419157949 1192817452 /nfs/dbraw/zinc/81/74/52/1192817452.db2.gz MCQDNBNDPXIMFN-MRXNPFEDSA-N 2 0 376.505 0.083 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419160466 1192818718 /nfs/dbraw/zinc/81/87/18/1192818718.db2.gz HLIMUYVLDOZFAB-ZWKOTPCHSA-N 2 0 376.501 0.445 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419161465 1192819302 /nfs/dbraw/zinc/81/93/02/1192819302.db2.gz IYQYIDVYDHRLST-QZTJIDSGSA-N 2 0 376.501 0.364 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419161466 1192819500 /nfs/dbraw/zinc/81/95/00/1192819500.db2.gz IYQYIDVYDHRLST-ROUUACIJSA-N 2 0 376.501 0.364 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161879 1192821001 /nfs/dbraw/zinc/82/10/01/1192821001.db2.gz FLYOSSSQSQOQRU-NZSAHSFTSA-N 2 0 388.512 0.650 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000419153766 1192823047 /nfs/dbraw/zinc/82/30/47/1192823047.db2.gz QHUBVASZYXBLMO-AYOQOUSVSA-N 2 0 386.496 0.610 20 0 GCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163019 1192821784 /nfs/dbraw/zinc/82/17/84/1192821784.db2.gz IOWRXASHSHQLJO-GUDVDZBRSA-N 2 0 388.512 0.637 20 0 GCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419165301 1192822559 /nfs/dbraw/zinc/82/25/59/1192822559.db2.gz NILSWADMZLPTFD-IEBWSBKVSA-N 2 0 388.512 0.510 20 0 GCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419166113 1192822621 /nfs/dbraw/zinc/82/26/21/1192822621.db2.gz OJSVJJJAJWLDLL-OALUTQOASA-N 2 0 388.512 0.510 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419167286 1192823178 /nfs/dbraw/zinc/82/31/78/1192823178.db2.gz QKJRVEMHRKLNBB-OALUTQOASA-N 2 0 388.512 0.462 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419156029 1192825105 /nfs/dbraw/zinc/82/51/05/1192825105.db2.gz BRGPQQCOOFVHKN-OALUTQOASA-N 2 0 390.528 0.835 20 0 GCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419174230 1192827022 /nfs/dbraw/zinc/82/70/22/1192827022.db2.gz VBBVHICDVCQYTC-KNQAVFIVSA-N 2 0 384.524 0.879 20 0 GCADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419174225 1192827346 /nfs/dbraw/zinc/82/73/46/1192827346.db2.gz VBBVHICDVCQYTC-DENIHFKCSA-N 2 0 384.524 0.879 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[C@H]1[NH3+] ZINC000419168355 1192829721 /nfs/dbraw/zinc/82/97/21/1192829721.db2.gz RSQAKNYAORHXGB-BHIYHBOVSA-N 2 0 388.512 0.589 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000419196438 1192832871 /nfs/dbraw/zinc/83/28/71/1192832871.db2.gz AZGMZMPQZKRIDW-OAHLLOKOSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419196006 1192833202 /nfs/dbraw/zinc/83/32/02/1192833202.db2.gz AEFWIUKVPMTHDX-VQIMIIECSA-N 2 0 388.512 0.782 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181054 1192833276 /nfs/dbraw/zinc/83/32/76/1192833276.db2.gz KLOLVNHWCZUCRF-ZWKOTPCHSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000419185465 1192835128 /nfs/dbraw/zinc/83/51/28/1192835128.db2.gz DKCNCXKVILWWNT-SJLPKXTDSA-N 2 0 376.501 0.508 20 0 GCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419198325 1192837003 /nfs/dbraw/zinc/83/70/03/1192837003.db2.gz CDRNZYJUGUASHA-HRCADAONSA-N 2 0 376.501 0.623 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000419203104 1192840390 /nfs/dbraw/zinc/84/03/90/1192840390.db2.gz HLYSOXJUYQMOJB-DOTOQJQBSA-N 2 0 376.501 0.687 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000419200403 1192840686 /nfs/dbraw/zinc/84/06/86/1192840686.db2.gz FGQYGOWWEVWSRK-CALCHBBNSA-N 2 0 388.512 0.734 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000419202252 1192842722 /nfs/dbraw/zinc/84/27/22/1192842722.db2.gz GSOCSAKYVNHHEO-FCEWJHQRSA-N 2 0 388.512 0.780 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000419202253 1192843218 /nfs/dbraw/zinc/84/32/18/1192843218.db2.gz GSOCSAKYVNHHEO-GPMSIDNRSA-N 2 0 388.512 0.780 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000419203622 1192843260 /nfs/dbraw/zinc/84/32/60/1192843260.db2.gz HTWCVCUKBDEKQR-KRWDZBQOSA-N 2 0 376.501 0.701 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419203046 1192844715 /nfs/dbraw/zinc/84/47/15/1192844715.db2.gz HJQULLYTUJYVMA-INIZCTEOSA-N 2 0 376.501 0.457 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000419204592 1192846147 /nfs/dbraw/zinc/84/61/47/1192846147.db2.gz JGEJKYUEQJEZLI-IAGOWNOFSA-N 2 0 388.516 0.083 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893742963 1192848723 /nfs/dbraw/zinc/84/87/23/1192848723.db2.gz NPJHTLDQKMTBGZ-OKYOBFRVSA-N 2 0 380.533 0.605 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419205217 1192854937 /nfs/dbraw/zinc/85/49/37/1192854937.db2.gz JLIODDUMRBSXIL-HOTGVXAUSA-N 2 0 376.501 0.638 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419204775 1192857977 /nfs/dbraw/zinc/85/79/77/1192857977.db2.gz JDVDLUCXTKVTPF-QFBILLFUSA-N 2 0 388.512 0.721 20 0 GCADRP CC[NH+]1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000893873871 1192870408 /nfs/dbraw/zinc/87/04/08/1192870408.db2.gz RNARCXDRFXQTEK-HOTGVXAUSA-N 2 0 382.549 0.981 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419207768 1192879148 /nfs/dbraw/zinc/87/91/48/1192879148.db2.gz PTFCMTJHWOFKRV-QGZVFWFLSA-N 2 0 390.532 0.281 20 0 GCADRP CN1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]CC2CC[NH+](C)CC2)CC3)CC1 ZINC000894018161 1192891444 /nfs/dbraw/zinc/89/14/44/1192891444.db2.gz NKBPVJGNLWASGP-GOSISDBHSA-N 2 0 388.560 0.765 20 0 GCADRP CN1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]CC2CC[NH+](C)CC2)CC3)CC1 ZINC000894018162 1192891693 /nfs/dbraw/zinc/89/16/93/1192891693.db2.gz NKBPVJGNLWASGP-SFHVURJKSA-N 2 0 388.560 0.765 20 0 GCADRP [NH3+]CCN(CCO)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000419210983 1192898114 /nfs/dbraw/zinc/89/81/14/1192898114.db2.gz WHWPLROCDLGIIE-UHFFFAOYSA-N 2 0 376.501 0.458 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)N1CCO ZINC000410843238 1192907660 /nfs/dbraw/zinc/90/76/60/1192907660.db2.gz MEVUGXRXAPFDKD-JZXOWHBKSA-N 2 0 380.533 0.090 20 0 GCADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512584409 1192911589 /nfs/dbraw/zinc/91/15/89/1192911589.db2.gz XYJAGVOFZNUGMU-OALUTQOASA-N 2 0 383.581 0.939 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000419217268 1192915474 /nfs/dbraw/zinc/91/54/74/1192915474.db2.gz QHDAGJJACQQFEV-UHFFFAOYSA-N 2 0 376.501 0.749 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000428743145 1192922725 /nfs/dbraw/zinc/92/27/25/1192922725.db2.gz VVXXSXACVAXZEG-NVXWUHKLSA-N 2 0 381.521 0.221 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000410991169 1192922959 /nfs/dbraw/zinc/92/29/59/1192922959.db2.gz USUUQQGREKGENT-KSZLIROESA-N 2 0 380.533 0.498 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419221169 1192923593 /nfs/dbraw/zinc/92/35/93/1192923593.db2.gz VXSOCEOHPVQLJL-QGZVFWFLSA-N 2 0 376.501 0.701 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000274525336 1184087243 /nfs/dbraw/zinc/08/72/43/1184087243.db2.gz ZAUBILMNUTVADV-UHFFFAOYSA-N 2 0 391.516 0.197 20 0 GCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643541169 1184096319 /nfs/dbraw/zinc/09/63/19/1184096319.db2.gz PHHJNHJEHUZOLN-KGLIPLIRSA-N 2 0 396.454 0.684 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654799680 1184145017 /nfs/dbraw/zinc/14/50/17/1184145017.db2.gz UILJOXMSGKZJAU-OALUTQOASA-N 2 0 396.601 0.727 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)O1 ZINC000616385806 1184204809 /nfs/dbraw/zinc/20/48/09/1184204809.db2.gz IFPNQZHVXALCPU-USTZCAOPSA-N 2 0 380.533 0.639 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000418967040 1184275052 /nfs/dbraw/zinc/27/50/52/1184275052.db2.gz RHVHIQIEHOGQGY-HNNXBMFYSA-N 2 0 378.473 0.072 20 0 GCADRP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CCN1C[C@H](C)O ZINC001772505615 1184319854 /nfs/dbraw/zinc/31/98/54/1184319854.db2.gz ALDMINALDMXOFZ-IXDOHACOSA-N 2 0 380.533 0.281 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000579866797 1184407654 /nfs/dbraw/zinc/40/76/54/1184407654.db2.gz HMPFONSSINYFMB-WMZOPIPTSA-N 2 0 390.528 0.885 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000179674075 1184410510 /nfs/dbraw/zinc/41/05/10/1184410510.db2.gz UBQGCBZTYYANNN-UHFFFAOYSA-N 2 0 381.546 0.870 20 0 GCADRP COC(=O)C1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000275009069 1184455369 /nfs/dbraw/zinc/45/53/69/1184455369.db2.gz PPEBPXDZDWXQRQ-UHFFFAOYSA-N 2 0 375.473 0.846 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3occc3C[NH+](C)C)[C@@H](O)C2)CC[N@@H+]1C ZINC000970145428 1184589114 /nfs/dbraw/zinc/58/91/14/1184589114.db2.gz SJHDPYLCNJUCOL-HZMVEIRTSA-N 2 0 392.500 0.373 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275312894 1184597722 /nfs/dbraw/zinc/59/77/22/1184597722.db2.gz OVOVWWUUGBPAQI-MSOLQXFVSA-N 2 0 391.516 0.689 20 0 GCADRP COc1ccc(OC)c(CN2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)c1 ZINC000275345165 1184618108 /nfs/dbraw/zinc/61/81/08/1184618108.db2.gz YKFJGSXNZPYBJU-UHFFFAOYSA-N 2 0 390.528 0.986 20 0 GCADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1(C)C ZINC000275384347 1184646648 /nfs/dbraw/zinc/64/66/48/1184646648.db2.gz AEMSHIXAFASGDT-OXQOHEQNSA-N 2 0 375.517 0.982 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275466461 1184680064 /nfs/dbraw/zinc/68/00/64/1184680064.db2.gz AEFZTMMQFWSSPZ-QGZVFWFLSA-N 2 0 389.544 0.871 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000275520673 1184696771 /nfs/dbraw/zinc/69/67/71/1184696771.db2.gz VDQBOGRQNUQTJX-KRWDZBQOSA-N 2 0 388.512 0.910 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642712299 1184717347 /nfs/dbraw/zinc/71/73/47/1184717347.db2.gz LQUDQRAPSVCQRH-UONOGXRCSA-N 2 0 379.480 0.608 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000625287696 1184761130 /nfs/dbraw/zinc/76/11/30/1184761130.db2.gz LOCVVTLYJXVTSX-UHFFFAOYSA-N 2 0 376.501 0.724 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCN1c1cc[nH+]cc1 ZINC000890986588 1184803735 /nfs/dbraw/zinc/80/37/35/1184803735.db2.gz KSIRAPDWTSCTNQ-OAHLLOKOSA-N 2 0 385.472 0.516 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419214113 1184823260 /nfs/dbraw/zinc/82/32/60/1184823260.db2.gz MHHCXUWTVLPZKT-HZPDHXFCSA-N 2 0 376.501 0.590 20 0 GCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000648149320 1184848024 /nfs/dbraw/zinc/84/80/24/1184848024.db2.gz NYIPOMAEUJLLDG-FGTMMUONSA-N 2 0 385.574 0.980 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642744074 1184852292 /nfs/dbraw/zinc/85/22/92/1184852292.db2.gz XXTDXLNRDGQDNR-HBFSDRIKSA-N 2 0 399.539 0.524 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970657404 1184933303 /nfs/dbraw/zinc/93/33/03/1184933303.db2.gz ULFYMRIPJCDMMJ-HZMVEIRTSA-N 2 0 380.533 0.137 20 0 GCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)nn1 ZINC000656029038 1184964458 /nfs/dbraw/zinc/96/44/58/1184964458.db2.gz URYUWVKHDWOGCK-IKGGRYGDSA-N 2 0 389.504 0.033 20 0 GCADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)nn1 ZINC000656029039 1184964867 /nfs/dbraw/zinc/96/48/67/1184964867.db2.gz URYUWVKHDWOGCK-IXDOHACOSA-N 2 0 389.504 0.033 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000275743284 1184996786 /nfs/dbraw/zinc/99/67/86/1184996786.db2.gz WZDSHAOOLUUIOW-UHFFFAOYSA-N 2 0 390.484 0.881 20 0 GCADRP C[C@H](N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1)C(F)(F)F ZINC000580045181 1185032142 /nfs/dbraw/zinc/03/21/42/1185032142.db2.gz QDNWFAPJBGWHNK-AWEZNQCLSA-N 2 0 395.470 0.033 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000580354456 1185196264 /nfs/dbraw/zinc/19/62/64/1185196264.db2.gz DXLKCMMDLLLCFZ-ROUUACIJSA-N 2 0 380.533 0.690 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC000580366592 1185203949 /nfs/dbraw/zinc/20/39/49/1185203949.db2.gz IXVXPMDBCGKEOE-MOPGFXCFSA-N 2 0 393.576 0.461 20 0 GCADRP COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO2 ZINC000891263399 1185208114 /nfs/dbraw/zinc/20/81/14/1185208114.db2.gz LRIBFFLHYSDACZ-WUJZJPHMSA-N 2 0 384.521 0.622 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000580411026 1185222608 /nfs/dbraw/zinc/22/26/08/1185222608.db2.gz YKCZGFGUMXKEOK-LJQANCHMSA-N 2 0 390.528 0.975 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580476931 1185245237 /nfs/dbraw/zinc/24/52/37/1185245237.db2.gz PEKSMRSXPPVXCH-QRQLOZEOSA-N 2 0 392.544 0.614 20 0 GCADRP CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000580476858 1185245280 /nfs/dbraw/zinc/24/52/80/1185245280.db2.gz MFAPTKQKHCGKAK-QZTJIDSGSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000580535660 1185265772 /nfs/dbraw/zinc/26/57/72/1185265772.db2.gz RXMUAIIDURDYNT-GOSISDBHSA-N 2 0 381.565 0.319 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000580668562 1185301956 /nfs/dbraw/zinc/30/19/56/1185301956.db2.gz ONMFNARUOVRWAK-GOSISDBHSA-N 2 0 381.565 0.463 20 0 GCADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000580722844 1185315185 /nfs/dbraw/zinc/31/51/85/1185315185.db2.gz HMFOPKADOOWIMP-WOJBJXKFSA-N 2 0 384.565 0.192 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000548136031 1185373455 /nfs/dbraw/zinc/37/34/55/1185373455.db2.gz MRKLHFBZENCVNO-UHFFFAOYSA-N 2 0 396.513 0.664 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656308849 1185383694 /nfs/dbraw/zinc/38/36/94/1185383694.db2.gz JGXFECWSNLUSJB-MSOLQXFVSA-N 2 0 380.533 0.737 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000656309303 1185386754 /nfs/dbraw/zinc/38/67/54/1185386754.db2.gz NYEBXOMPNFSTKX-UHFFFAOYSA-N 2 0 382.549 0.936 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000580830966 1185390288 /nfs/dbraw/zinc/39/02/88/1185390288.db2.gz WMNHGTRPMIQIAQ-RDJZCZTQSA-N 2 0 387.484 0.191 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656314640 1185396872 /nfs/dbraw/zinc/39/68/72/1185396872.db2.gz ADDRAEUOHGRXHH-ZJPYXAASSA-N 2 0 382.549 0.981 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000580904537 1185411305 /nfs/dbraw/zinc/41/13/05/1185411305.db2.gz WFLSDIOLOXXBIW-LSDHHAIUSA-N 2 0 381.546 0.301 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337539 1185434292 /nfs/dbraw/zinc/43/42/92/1185434292.db2.gz UNMGXNQVTGSWPL-WCXIOVBPSA-N 2 0 382.549 0.837 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354128 1185448852 /nfs/dbraw/zinc/44/88/52/1185448852.db2.gz FCWPMHWQZFYUCU-RCCFBDPRSA-N 2 0 380.533 0.689 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656361022 1185464316 /nfs/dbraw/zinc/46/43/16/1185464316.db2.gz XMOQILZOXYLMKR-QZTJIDSGSA-N 2 0 382.549 0.936 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656361024 1185464615 /nfs/dbraw/zinc/46/46/15/1185464615.db2.gz XMOQILZOXYLMKR-ZWKOTPCHSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000581062211 1185479926 /nfs/dbraw/zinc/47/99/26/1185479926.db2.gz OKDPLHOFEHZFLT-HSALFYBXSA-N 2 0 399.539 0.444 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000276028563 1185500889 /nfs/dbraw/zinc/50/08/89/1185500889.db2.gz OCDYPEAUYJLGBB-MRXNPFEDSA-N 2 0 377.489 0.903 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133161 1185509856 /nfs/dbraw/zinc/50/98/56/1185509856.db2.gz ZDEHFEBDGNRYBH-QZTJIDSGSA-N 3 0 375.517 0.192 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581254592 1185556862 /nfs/dbraw/zinc/55/68/62/1185556862.db2.gz NZYROMSZTWKXQH-ULQDDVLXSA-N 2 0 379.549 0.105 20 0 GCADRP [NH3+]CCCOC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000430544581 1185563895 /nfs/dbraw/zinc/56/38/95/1185563895.db2.gz OVYJKRXLPIRPJI-UHFFFAOYSA-N 2 0 376.505 0.345 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562078 1185605757 /nfs/dbraw/zinc/60/57/57/1185605757.db2.gz CHSZLABHLAQITL-HUUCEWRRSA-N 2 0 386.504 0.071 20 0 GCADRP COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001104347194 1185620997 /nfs/dbraw/zinc/62/09/97/1185620997.db2.gz SEZOXLHRXUKJTF-YFHUEUNASA-N 2 0 391.516 0.779 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(-n2ccnc2)c1 ZINC000581421128 1185669919 /nfs/dbraw/zinc/66/99/19/1185669919.db2.gz PKXPVQGHAIBUPH-UHFFFAOYSA-N 2 0 386.500 0.440 20 0 GCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000581451568 1185697875 /nfs/dbraw/zinc/69/78/75/1185697875.db2.gz IQOCWQRLOHDGSI-NJAFHUGGSA-N 2 0 380.533 0.471 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000581474567 1185710663 /nfs/dbraw/zinc/71/06/63/1185710663.db2.gz IVXZKGCWXMIGEC-ROUUACIJSA-N 2 0 381.565 0.414 20 0 GCADRP C[N@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000891412299 1185711565 /nfs/dbraw/zinc/71/15/65/1185711565.db2.gz JAMATELLHPRZGW-KURKYZTESA-N 2 0 387.484 0.695 20 0 GCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891424396 1185743611 /nfs/dbraw/zinc/74/36/11/1185743611.db2.gz USXJALMRWBWVAG-HTPGKPQGSA-N 2 0 393.532 0.929 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000430611001 1185753164 /nfs/dbraw/zinc/75/31/64/1185753164.db2.gz NBNOWRJVQSLTPA-WMZOPIPTSA-N 2 0 386.496 0.770 20 0 GCADRP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610290 1185755868 /nfs/dbraw/zinc/75/58/68/1185755868.db2.gz KEUPWICKKHZIPZ-IXDOHACOSA-N 2 0 393.532 0.535 20 0 GCADRP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610154 1185758285 /nfs/dbraw/zinc/75/82/85/1185758285.db2.gz KEUPWICKKHZIPZ-BRWVUGGUSA-N 2 0 393.532 0.535 20 0 GCADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614940 1185769855 /nfs/dbraw/zinc/76/98/55/1185769855.db2.gz ANXDAKAQJYOEPZ-CEXWTWQISA-N 2 0 394.560 0.842 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430614289 1185776286 /nfs/dbraw/zinc/77/62/86/1185776286.db2.gz XWKASTGSCDAPDL-AEFFLSMTSA-N 2 0 392.475 0.513 20 0 GCADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619895 1185793370 /nfs/dbraw/zinc/79/33/70/1185793370.db2.gz BLXWEOQUYSAVFY-HIFRSBDPSA-N 2 0 375.473 0.160 20 0 GCADRP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619358 1185795214 /nfs/dbraw/zinc/79/52/14/1185795214.db2.gz BBLMFVYQCIBYCT-UKRRQHHQSA-N 2 0 375.473 0.759 20 0 GCADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619352 1185795235 /nfs/dbraw/zinc/79/52/35/1185795235.db2.gz BBLMFVYQCIBYCT-DZGCQCFKSA-N 2 0 375.473 0.759 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000430620686 1185797060 /nfs/dbraw/zinc/79/70/60/1185797060.db2.gz COLSEDINKHJCEU-QZTJIDSGSA-N 2 0 386.496 0.250 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC(C)(C)CO2)C[C@H]1C[NH+](C)C ZINC000933356797 1185818960 /nfs/dbraw/zinc/81/89/60/1185818960.db2.gz RNHDMJQFXNGSQG-KZNAEPCWSA-N 2 0 396.576 0.896 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430631563 1185820716 /nfs/dbraw/zinc/82/07/16/1185820716.db2.gz UWCOUSPGCGCIHW-INIZCTEOSA-N 2 0 375.473 0.189 20 0 GCADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430633912 1185821996 /nfs/dbraw/zinc/82/19/96/1185821996.db2.gz CMRPKQVOWGBPIN-INIZCTEOSA-N 2 0 387.484 0.258 20 0 GCADRP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCC(C)CC1 ZINC000891446095 1185825694 /nfs/dbraw/zinc/82/56/94/1185825694.db2.gz LXEKPQGAHYFLBH-HZMVEIRTSA-N 2 0 379.505 0.683 20 0 GCADRP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637591 1185839810 /nfs/dbraw/zinc/83/98/10/1185839810.db2.gz CSCQXPFLKFFHPC-CVEARBPZSA-N 2 0 378.542 0.939 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CCCCC1 ZINC000430637401 1185841210 /nfs/dbraw/zinc/84/12/10/1185841210.db2.gz BAXKNLHRZBDLSB-HNNXBMFYSA-N 2 0 379.505 0.289 20 0 GCADRP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430648130 1185866618 /nfs/dbraw/zinc/86/66/18/1185866618.db2.gz YZQIPURJVQLUOI-ZIAGYGMSSA-N 2 0 382.455 0.799 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891481802 1185886935 /nfs/dbraw/zinc/88/69/35/1185886935.db2.gz HFACGNCUOOPMIY-AWEZNQCLSA-N 2 0 394.545 0.612 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484813 1185888401 /nfs/dbraw/zinc/88/84/01/1185888401.db2.gz YDLXDBQEJHTVLN-SJORKVTESA-N 2 0 395.548 0.387 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891511594 1185900816 /nfs/dbraw/zinc/90/08/16/1185900816.db2.gz DEBDQQUKENQNPH-PXNSSMCTSA-N 2 0 387.532 0.963 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891511591 1185900958 /nfs/dbraw/zinc/90/09/58/1185900958.db2.gz DEBDQQUKENQNPH-FXAWDEMLSA-N 2 0 387.532 0.963 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891536522 1185910087 /nfs/dbraw/zinc/91/00/87/1185910087.db2.gz SRLQOBVYDWDUTI-LJQANCHMSA-N 2 0 387.528 0.943 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891536569 1185910108 /nfs/dbraw/zinc/91/01/08/1185910108.db2.gz VFBXUEPFJLEFEN-JSGCOSHPSA-N 2 0 393.454 0.708 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891536570 1185910130 /nfs/dbraw/zinc/91/01/30/1185910130.db2.gz VFBXUEPFJLEFEN-OCCSQVGLSA-N 2 0 393.454 0.708 20 0 GCADRP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565021 1185920525 /nfs/dbraw/zinc/92/05/25/1185920525.db2.gz OIUVEEPOIKXMLS-LJQANCHMSA-N 2 0 387.528 0.538 20 0 GCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563301 1185921696 /nfs/dbraw/zinc/92/16/96/1185921696.db2.gz CQYOPBZNJAIPAZ-YLJYHZDGSA-N 2 0 381.565 0.799 20 0 GCADRP [NH3+][C@H](CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000891567865 1185922391 /nfs/dbraw/zinc/92/23/91/1185922391.db2.gz XKGLNZFTMWIUON-UXHICEINSA-N 2 0 389.544 0.652 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C(F)(F)F ZINC000891567083 1185922627 /nfs/dbraw/zinc/92/26/27/1185922627.db2.gz VKBGPMIIIDTDMJ-QLFBSQMISA-N 2 0 393.454 0.172 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C ZINC000891567437 1185922839 /nfs/dbraw/zinc/92/28/39/1185922839.db2.gz JSZHVAHXTKLNGQ-WCVJEAGWSA-N 2 0 381.521 0.929 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419898356 1185975771 /nfs/dbraw/zinc/97/57/71/1185975771.db2.gz PLLRYSFYENKMLU-MHORFTMASA-N 2 0 379.549 0.390 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419891207 1185977087 /nfs/dbraw/zinc/97/70/87/1185977087.db2.gz IIXHZFJKFIFMBI-MSOLQXFVSA-N 2 0 382.549 0.970 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419902940 1185978358 /nfs/dbraw/zinc/97/83/58/1185978358.db2.gz WFUGXVLUARPUOX-DLBZAZTESA-N 2 0 376.501 0.972 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891698010 1185982625 /nfs/dbraw/zinc/98/26/25/1185982625.db2.gz WGOUAVMTNCCCGD-TVFCKZIOSA-N 2 0 393.532 0.931 20 0 GCADRP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891703793 1185986834 /nfs/dbraw/zinc/98/68/34/1185986834.db2.gz HQWBRICEHJXYDM-YWWDTZIBSA-N 2 0 379.505 0.683 20 0 GCADRP C[N@H+](CCNC(=O)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000430798814 1186030857 /nfs/dbraw/zinc/03/08/57/1186030857.db2.gz VCRFJCMUAMCINX-LJQANCHMSA-N 2 0 388.512 0.462 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000430923409 1186054987 /nfs/dbraw/zinc/05/49/87/1186054987.db2.gz DNRRROMLLMRQAY-CHWSQXEVSA-N 2 0 380.514 0.671 20 0 GCADRP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431012238 1186100946 /nfs/dbraw/zinc/10/09/46/1186100946.db2.gz DTVUKDIBUPTGGU-UHFFFAOYSA-N 2 0 379.549 0.121 20 0 GCADRP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431036437 1186110402 /nfs/dbraw/zinc/11/04/02/1186110402.db2.gz WKDWNBZLUBJUPW-CQSZACIVSA-N 2 0 392.525 0.687 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431044760 1186113357 /nfs/dbraw/zinc/11/33/57/1186113357.db2.gz XVSIZZWXTDDCFM-UHFFFAOYSA-N 2 0 398.515 0.087 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)CC1 ZINC000610869776 1186248607 /nfs/dbraw/zinc/24/86/07/1186248607.db2.gz QQJDNSVUDAREBR-GOSISDBHSA-N 2 0 397.483 0.444 20 0 GCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000891966517 1186255920 /nfs/dbraw/zinc/25/59/20/1186255920.db2.gz PNUQPDIPEGDNIK-UHFFFAOYSA-N 2 0 376.505 0.860 20 0 GCADRP C[C@@]12CN(C(=O)NCC(=O)N3CC[NH2+]CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000891971876 1186268295 /nfs/dbraw/zinc/26/82/95/1186268295.db2.gz ZFNXSFZYNYTLDU-GHTZIAJQSA-N 2 0 385.512 0.582 20 0 GCADRP COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563153032 1186313533 /nfs/dbraw/zinc/31/35/33/1186313533.db2.gz MDUMVDRPONDTJU-MRXNPFEDSA-N 2 0 375.469 0.996 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892041375 1186318900 /nfs/dbraw/zinc/31/89/00/1186318900.db2.gz STYVLGRSTGTQSJ-BBWFWOEESA-N 2 0 379.505 0.875 20 0 GCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892087780 1186334272 /nfs/dbraw/zinc/33/42/72/1186334272.db2.gz HYDXUZFNRZLYQU-FQEVSTJZSA-N 2 0 387.528 0.886 20 0 GCADRP CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc2c(nn1)C[NH2+]C2 ZINC001167526900 1186370433 /nfs/dbraw/zinc/37/04/33/1186370433.db2.gz OIQLBHLCJYPXDU-UHFFFAOYSA-N 2 0 386.481 0.574 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000582140831 1186433200 /nfs/dbraw/zinc/43/32/00/1186433200.db2.gz CENVVOXSAAAIIM-JENIJYKNSA-N 2 0 392.544 0.546 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000582140833 1186433738 /nfs/dbraw/zinc/43/37/38/1186433738.db2.gz CENVVOXSAAAIIM-ZHALLVOQSA-N 2 0 392.544 0.546 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000582195542 1186460934 /nfs/dbraw/zinc/46/09/34/1186460934.db2.gz HNYGUTXRDHYRLU-ROUUACIJSA-N 2 0 381.565 0.367 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000582203709 1186462816 /nfs/dbraw/zinc/46/28/16/1186462816.db2.gz QCCZDIGNWWEFFJ-IPMKNSEASA-N 2 0 392.544 0.567 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)[NH+](C)C)cc1OC ZINC000582231498 1186470010 /nfs/dbraw/zinc/47/00/10/1186470010.db2.gz BZYRTQMTEBJTLA-GOEBONIOSA-N 2 0 392.500 0.620 20 0 GCADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(F)c1 ZINC000892228704 1186472305 /nfs/dbraw/zinc/47/23/05/1186472305.db2.gz IODKXJDBAZZZHS-BMFZPTHFSA-N 2 0 377.420 0.361 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000582256241 1186476476 /nfs/dbraw/zinc/47/64/76/1186476476.db2.gz KCKFZCPLHZQPTQ-RTBURBONSA-N 2 0 395.592 0.613 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000582263768 1186479020 /nfs/dbraw/zinc/47/90/20/1186479020.db2.gz IPPJFSZVZNZQNV-CGTJXYLNSA-N 2 0 380.533 0.281 20 0 GCADRP CCc1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001709046930 1186522187 /nfs/dbraw/zinc/52/21/87/1186522187.db2.gz RFVQQJFKOJQGQB-QGZVFWFLSA-N 2 0 380.537 0.456 20 0 GCADRP CC[C@@H]1C[NH+](C)CCCN1C(=O)COCC(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000684864586 1186525980 /nfs/dbraw/zinc/52/59/80/1186525980.db2.gz LXHWWJBWZXALHE-QZTJIDSGSA-N 2 0 382.549 0.888 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000582532604 1186558943 /nfs/dbraw/zinc/55/89/43/1186558943.db2.gz BWHHZNARDRPRRO-RBUKOAKNSA-N 2 0 393.576 0.556 20 0 GCADRP CN1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@H+](C)CC1 ZINC000888980836 1186578875 /nfs/dbraw/zinc/57/88/75/1186578875.db2.gz RLLCMMKLJLMMQC-MRXNPFEDSA-N 2 0 385.553 0.537 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[C@@H](C[NH3+])C1 ZINC000582600498 1186581037 /nfs/dbraw/zinc/58/10/37/1186581037.db2.gz TVGJGZSMCOABEC-SIKLNZKXSA-N 2 0 399.539 0.212 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000582624756 1186588094 /nfs/dbraw/zinc/58/80/94/1186588094.db2.gz QZVQDUQSIXVLLZ-UHFFFAOYSA-N 2 0 395.592 0.707 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000582658116 1186599430 /nfs/dbraw/zinc/59/94/30/1186599430.db2.gz PPQPYSKCCQGHSI-SFHVURJKSA-N 2 0 394.560 0.794 20 0 GCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667002 1186603857 /nfs/dbraw/zinc/60/38/57/1186603857.db2.gz QJUQVADEPMEKAT-NMLBUPMWSA-N 2 0 387.528 0.137 20 0 GCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667001 1186603963 /nfs/dbraw/zinc/60/39/63/1186603963.db2.gz QJUQVADEPMEKAT-MUGJNUQGSA-N 2 0 387.528 0.137 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(c2cc(C(N)=O)nc(N3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000892288563 1186626288 /nfs/dbraw/zinc/62/62/88/1186626288.db2.gz RJUMRRXPIHKCJD-CABCVRRESA-N 2 0 375.521 0.636 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000075007853 1186628274 /nfs/dbraw/zinc/62/82/74/1186628274.db2.gz UAMDBIXRNYZJBP-MRXNPFEDSA-N 2 0 382.549 0.922 20 0 GCADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC12CCOCC2 ZINC000582730957 1186631368 /nfs/dbraw/zinc/63/13/68/1186631368.db2.gz PHILFFAMAZMSCH-QGZVFWFLSA-N 2 0 388.516 0.203 20 0 GCADRP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1CCOC ZINC000582740174 1186647322 /nfs/dbraw/zinc/64/73/22/1186647322.db2.gz HZUYDZPAAZTTGJ-AEFFLSMTSA-N 2 0 380.533 0.546 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000079670340 1186680185 /nfs/dbraw/zinc/68/01/85/1186680185.db2.gz HISJFFVSHCUVGI-SJORKVTESA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)COC4CC[NH+](C)CC4)C[C@H]32)CC[N@@H+]1C ZINC000972414512 1186711481 /nfs/dbraw/zinc/71/14/81/1186711481.db2.gz ABANEJDTDBGTNT-PSBWJHGTSA-N 2 0 392.544 0.497 20 0 GCADRP COCC[N@H+](C)CCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069827331 1186714963 /nfs/dbraw/zinc/71/49/63/1186714963.db2.gz HUQVLRGRGNHPAD-IBGZPJMESA-N 2 0 377.533 0.853 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582895917 1186724488 /nfs/dbraw/zinc/72/44/88/1186724488.db2.gz WCXIHMKGLBQQFK-QZTJIDSGSA-N 2 0 387.528 0.409 20 0 GCADRP C[C@@H](C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)S(C)(=O)=O ZINC000583199441 1186793931 /nfs/dbraw/zinc/79/39/31/1186793931.db2.gz OUZKYVGDETULAR-GJZGRUSLSA-N 2 0 383.518 0.305 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000583252542 1186809105 /nfs/dbraw/zinc/80/91/05/1186809105.db2.gz PPLFZJLUKNQMBN-DLBZAZTESA-N 2 0 379.509 0.440 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000156020439 1186839293 /nfs/dbraw/zinc/83/92/93/1186839293.db2.gz WJKSGXVUHYSBJY-DOTOQJQBSA-N 2 0 388.516 0.859 20 0 GCADRP C[C@@H](C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)n1cccn1 ZINC000329162348 1186869425 /nfs/dbraw/zinc/86/94/25/1186869425.db2.gz ZPGOABPLIIJHNO-INIZCTEOSA-N 2 0 376.505 0.141 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000583514799 1186876170 /nfs/dbraw/zinc/87/61/70/1186876170.db2.gz RNDXKKRMJVFPMI-QGZVFWFLSA-N 2 0 381.565 0.319 20 0 GCADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000278328257 1186890252 /nfs/dbraw/zinc/89/02/52/1186890252.db2.gz VYKAXUOLQONXHH-QZTJIDSGSA-N 2 0 375.517 0.806 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583621690 1186902171 /nfs/dbraw/zinc/90/21/71/1186902171.db2.gz VWDUMCHJLRBYJR-SJORKVTESA-N 2 0 395.935 0.421 20 0 GCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000246231899 1186914637 /nfs/dbraw/zinc/91/46/37/1186914637.db2.gz UCUFGJCIKLUSQS-FUHIMQAGSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000583720974 1186926882 /nfs/dbraw/zinc/92/68/82/1186926882.db2.gz HKGSYYNOQUUZJU-IBGZPJMESA-N 2 0 391.560 0.215 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C[NH+]3CCOCC3)cn2)CC1 ZINC000635182373 1186930587 /nfs/dbraw/zinc/93/05/87/1186930587.db2.gz CYTADDQGVRJLGE-UHFFFAOYSA-N 2 0 375.517 0.808 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000583756181 1186932646 /nfs/dbraw/zinc/93/26/46/1186932646.db2.gz RWQANMPZHYBNEB-MJGOQNOKSA-N 2 0 388.516 0.344 20 0 GCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCCCC[NH+]1CCN(CCO)CC1 ZINC000536175939 1186971181 /nfs/dbraw/zinc/97/11/81/1186971181.db2.gz ADGXWGZXDNLJOG-UHFFFAOYSA-N 2 0 396.576 0.528 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000583980408 1186971876 /nfs/dbraw/zinc/97/18/76/1186971876.db2.gz OULAJTDAEXDEMX-SFHVURJKSA-N 2 0 375.517 0.651 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000583984832 1186973216 /nfs/dbraw/zinc/97/32/16/1186973216.db2.gz XVLRANIZAGZMLM-UHFFFAOYSA-N 2 0 382.455 0.971 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000584073537 1186993396 /nfs/dbraw/zinc/99/33/96/1186993396.db2.gz FRZMGRNPPYOWDG-GOSISDBHSA-N 2 0 394.560 0.938 20 0 GCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000785173530 1186996685 /nfs/dbraw/zinc/99/66/85/1186996685.db2.gz CEZSDLPBKHNPBL-UHFFFAOYSA-N 2 0 377.489 0.119 20 0 GCADRP COc1ccccc1N1CC[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1=O ZINC000151598008 1186997595 /nfs/dbraw/zinc/99/75/95/1186997595.db2.gz AONIGTRKFYUZIC-GOSISDBHSA-N 2 0 390.528 0.780 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000584308362 1187029589 /nfs/dbraw/zinc/02/95/89/1187029589.db2.gz CITZKTLKOOHCJL-KRWDZBQOSA-N 2 0 398.548 0.221 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611823045 1187035863 /nfs/dbraw/zinc/03/58/63/1187035863.db2.gz MRAJXJNOMNTLOS-MSOLQXFVSA-N 2 0 378.517 0.489 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611840124 1187047459 /nfs/dbraw/zinc/04/74/59/1187047459.db2.gz ZTARILXRHDSGAT-DLBZAZTESA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000584409271 1187053172 /nfs/dbraw/zinc/05/31/72/1187053172.db2.gz CFEOOTJMJFZNBM-HUUCEWRRSA-N 2 0 389.500 0.645 20 0 GCADRP CO[C@H](C[NH3+])C(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000584408555 1187054164 /nfs/dbraw/zinc/05/41/64/1187054164.db2.gz DEEROUYBYOQFEI-GOSISDBHSA-N 2 0 376.501 0.447 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC([N@H+](C)CCCO)CC1 ZINC000172305839 1187155267 /nfs/dbraw/zinc/15/52/67/1187155267.db2.gz DWYJSULXAGUHRV-GOSISDBHSA-N 2 0 389.544 0.897 20 0 GCADRP Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC001023970076 1187205847 /nfs/dbraw/zinc/20/58/47/1187205847.db2.gz FRMYPFXVLJETGF-DGCUDZEOSA-N 2 0 385.468 0.284 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2O)CC[N@@H+]1C ZINC001023977299 1187208271 /nfs/dbraw/zinc/20/82/71/1187208271.db2.gz CXLLTIQFHDXBQE-BSDSXHPESA-N 2 0 385.468 0.366 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000685683317 1187219970 /nfs/dbraw/zinc/21/99/70/1187219970.db2.gz IJZGPGAAKPJICN-INIZCTEOSA-N 2 0 397.545 0.234 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000612046032 1187245302 /nfs/dbraw/zinc/24/53/02/1187245302.db2.gz XWSGDMCAKPYCHY-KZNAEPCWSA-N 2 0 378.517 0.489 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@@H+]1C ZINC001024384130 1187372131 /nfs/dbraw/zinc/37/21/31/1187372131.db2.gz NXIPELKMJWRKGL-BSDSXHPESA-N 2 0 392.544 0.281 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000612223053 1187411176 /nfs/dbraw/zinc/41/11/76/1187411176.db2.gz GVZPVLDPYNAHSN-UHFFFAOYSA-N 2 0 387.528 0.964 20 0 GCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)[C@@H]2C1 ZINC000612223821 1187412028 /nfs/dbraw/zinc/41/20/28/1187412028.db2.gz LORFNMLXTNSOLB-VQTJNVASSA-N 2 0 399.539 0.962 20 0 GCADRP Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC2)c1 ZINC000658714677 1187422730 /nfs/dbraw/zinc/42/27/30/1187422730.db2.gz GGRWIXDJSKBQMO-NRFANRHFSA-N 2 0 385.512 0.983 20 0 GCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892477467 1187428062 /nfs/dbraw/zinc/42/80/62/1187428062.db2.gz CGXJAZBZDXZOFK-ROUUACIJSA-N 2 0 381.565 0.860 20 0 GCADRP CC[C@H]1CN(CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000413631421 1187446409 /nfs/dbraw/zinc/44/64/09/1187446409.db2.gz XJDAWFXAWCYGSL-SFHVURJKSA-N 2 0 397.564 0.193 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000584476081 1187469993 /nfs/dbraw/zinc/46/99/93/1187469993.db2.gz NGQOGKLNAXTDHK-UHFFFAOYSA-N 2 0 390.528 0.873 20 0 GCADRP CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000413719611 1187481960 /nfs/dbraw/zinc/48/19/60/1187481960.db2.gz RAGYHRFOPYYANU-SQNIBIBYSA-N 2 0 392.548 0.812 20 0 GCADRP Cc1ccccc1[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000569933487 1187483088 /nfs/dbraw/zinc/48/30/88/1187483088.db2.gz IYNRGIQXIRZECG-LJQANCHMSA-N 2 0 390.528 0.847 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000612444059 1187491539 /nfs/dbraw/zinc/49/15/39/1187491539.db2.gz JUYJWWJUAOCTKI-QGZVFWFLSA-N 2 0 394.560 0.815 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612447320 1187493749 /nfs/dbraw/zinc/49/37/49/1187493749.db2.gz PGZFAHJHQACBMB-MJGOQNOKSA-N 2 0 392.544 0.879 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000612485156 1187505381 /nfs/dbraw/zinc/50/53/81/1187505381.db2.gz KWTDEKGVWONYPA-KRWDZBQOSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000612484491 1187505506 /nfs/dbraw/zinc/50/55/06/1187505506.db2.gz AZUDJXDVESHMPN-RCCFBDPRSA-N 2 0 382.549 0.839 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000612549451 1187519748 /nfs/dbraw/zinc/51/97/48/1187519748.db2.gz ZDJWPXSDHFVMFI-OAHLLOKOSA-N 2 0 375.473 0.339 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000413822559 1187529605 /nfs/dbraw/zinc/52/96/05/1187529605.db2.gz UHTFSQUDFQIMGL-OKZBNKHCSA-N 2 0 380.533 0.282 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC[C@@H]21 ZINC000612595565 1187534783 /nfs/dbraw/zinc/53/47/83/1187534783.db2.gz IVLUNMHEPCZXRS-NJAFHUGGSA-N 2 0 378.517 0.299 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000612595259 1187535875 /nfs/dbraw/zinc/53/58/75/1187535875.db2.gz FQQNYOQSSDUEHQ-LJQANCHMSA-N 2 0 392.544 0.833 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612601286 1187539390 /nfs/dbraw/zinc/53/93/90/1187539390.db2.gz PDFKPRLKZKOBSH-IBGZPJMESA-N 2 0 394.560 0.935 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777018 1187580109 /nfs/dbraw/zinc/58/01/09/1187580109.db2.gz RERPUGQYOQRPHI-LJQANCHMSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000612782943 1187582815 /nfs/dbraw/zinc/58/28/15/1187582815.db2.gz WKCVGGNWDWKSSQ-CALCHBBNSA-N 2 0 394.560 0.840 20 0 GCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612782862 1187582946 /nfs/dbraw/zinc/58/29/46/1187582946.db2.gz VJXJRNWRZLZEGN-UHFFFAOYSA-N 2 0 385.512 0.968 20 0 GCADRP [NH3+]C1CCC(NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000612917653 1187618965 /nfs/dbraw/zinc/61/89/65/1187618965.db2.gz HVAZGEXLZPIEDM-QQFBHYJXSA-N 2 0 375.521 0.978 20 0 GCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612922336 1187620110 /nfs/dbraw/zinc/62/01/10/1187620110.db2.gz FXELKUFSKFGSQM-BZUAXINKSA-N 2 0 375.521 0.706 20 0 GCADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612921375 1187620268 /nfs/dbraw/zinc/62/02/68/1187620268.db2.gz QYNYTHWYBCBZMC-HZPDHXFCSA-N 2 0 375.521 0.850 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000612923380 1187621225 /nfs/dbraw/zinc/62/12/25/1187621225.db2.gz OHIMVPXUJABNAH-OWCLPIDISA-N 2 0 375.521 0.849 20 0 GCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612923737 1187621258 /nfs/dbraw/zinc/62/12/58/1187621258.db2.gz KOAIGIULQKVXJB-BZUAXINKSA-N 2 0 375.521 0.836 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CCN(C)CC[N@H+](C)CC3)CC2)CC1 ZINC000892522389 1187666767 /nfs/dbraw/zinc/66/67/67/1187666767.db2.gz ZLGDTGMGNJWFDF-UHFFFAOYSA-N 2 0 380.581 0.434 20 0 GCADRP COc1nn(C)cc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000892543383 1187741954 /nfs/dbraw/zinc/74/19/54/1187741954.db2.gz DGVSXBCKZAEDDU-UHFFFAOYSA-N 2 0 387.488 0.835 20 0 GCADRP C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H](C)N1CCOCC1 ZINC000376314711 1187757944 /nfs/dbraw/zinc/75/79/44/1187757944.db2.gz CVFRQPMTCNYWSY-CIQAELJKSA-N 2 0 395.548 0.478 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000376330751 1187767551 /nfs/dbraw/zinc/76/75/51/1187767551.db2.gz IUHVATGNOZQHDH-ALOPSCKCSA-N 2 0 383.537 0.338 20 0 GCADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000892611554 1187827580 /nfs/dbraw/zinc/82/75/80/1187827580.db2.gz PACNQVJQNRKBNQ-OALUTQOASA-N 2 0 376.501 0.955 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000658993674 1187832758 /nfs/dbraw/zinc/83/27/58/1187832758.db2.gz NAIGVIGODBIELT-UHFFFAOYSA-N 2 0 376.505 0.621 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)C[C@@H](C)O1 ZINC000658993222 1187833944 /nfs/dbraw/zinc/83/39/44/1187833944.db2.gz IXRAWMYAAIFPMH-LMMKCTJWSA-N 2 0 392.544 0.641 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000659061760 1187855458 /nfs/dbraw/zinc/85/54/58/1187855458.db2.gz YJZMXFYKHCTICM-KRWDZBQOSA-N 2 0 380.533 0.642 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000659061763 1187855693 /nfs/dbraw/zinc/85/56/93/1187855693.db2.gz YJZMXFYKHCTICM-QGZVFWFLSA-N 2 0 380.533 0.642 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659093529 1187874033 /nfs/dbraw/zinc/87/40/33/1187874033.db2.gz WDGUSSIFPOSGMK-UHFFFAOYSA-N 2 0 391.516 0.971 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659112751 1187889270 /nfs/dbraw/zinc/88/92/70/1187889270.db2.gz KYJRQMSMDFVNRE-NVXWUHKLSA-N 2 0 384.484 0.993 20 0 GCADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000536537845 1187891281 /nfs/dbraw/zinc/89/12/81/1187891281.db2.gz QZDCXXMKLLPRCU-HXUWFJFHSA-N 2 0 399.539 0.755 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647569037 1187895648 /nfs/dbraw/zinc/89/56/48/1187895648.db2.gz ZCTHXPSCCIJPDE-IBGZPJMESA-N 2 0 393.576 0.415 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000659122347 1187897334 /nfs/dbraw/zinc/89/73/34/1187897334.db2.gz AAGXUZXLJHSQJE-IBGZPJMESA-N 2 0 394.560 0.936 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)c1 ZINC000659162813 1187906395 /nfs/dbraw/zinc/90/63/95/1187906395.db2.gz DGCRHIYVITYKRM-INIZCTEOSA-N 2 0 387.484 0.436 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000588258904 1187927757 /nfs/dbraw/zinc/92/77/57/1187927757.db2.gz MFOOLJIPKZCADK-MSOLQXFVSA-N 2 0 379.549 0.215 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000659318575 1187943214 /nfs/dbraw/zinc/94/32/14/1187943214.db2.gz NHBOTNBYHMANEF-PKOBYXMFSA-N 3 0 393.576 0.414 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000659318573 1187943445 /nfs/dbraw/zinc/94/34/45/1187943445.db2.gz NHBOTNBYHMANEF-MJGOQNOKSA-N 3 0 393.576 0.414 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)CC2)C1 ZINC000659345152 1187945353 /nfs/dbraw/zinc/94/53/53/1187945353.db2.gz DAMVUSZAYXRWFN-RTBURBONSA-N 2 0 391.560 0.312 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)CC2)C1 ZINC000659345144 1187945527 /nfs/dbraw/zinc/94/55/27/1187945527.db2.gz DAMVUSZAYXRWFN-OALUTQOASA-N 2 0 391.560 0.312 20 0 GCADRP NC(=O)c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000892680480 1187947845 /nfs/dbraw/zinc/94/78/45/1187947845.db2.gz ZHQGTUJHZCPPKU-IRXDYDNUSA-N 2 0 395.511 0.477 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000580221845 1187971804 /nfs/dbraw/zinc/97/18/04/1187971804.db2.gz RKCDAPSTNKQKCS-CALCHBBNSA-N 2 0 382.549 0.698 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659608146 1187975764 /nfs/dbraw/zinc/97/57/64/1187975764.db2.gz LFEKZOJJGPCNGY-AEFFLSMTSA-N 2 0 393.532 0.093 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000659630296 1187978607 /nfs/dbraw/zinc/97/86/07/1187978607.db2.gz OEZQSNBFRAFKCZ-IYBDPMFKSA-N 2 0 382.468 0.914 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659678978 1187992609 /nfs/dbraw/zinc/99/26/09/1187992609.db2.gz BJBVNDYAIRZTPP-BZZMCLGOSA-N 2 0 380.533 0.456 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659680881 1187993483 /nfs/dbraw/zinc/99/34/83/1187993483.db2.gz UAFVDXJDSMHPPF-KRWDZBQOSA-N 2 0 380.533 0.452 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[NH+](C)C)c1 ZINC000659674173 1187994078 /nfs/dbraw/zinc/99/40/78/1187994078.db2.gz LCVHSYXCVXPVNG-UWWQBHOKSA-N 2 0 376.501 1.000 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCO1 ZINC000659676845 1187995038 /nfs/dbraw/zinc/99/50/38/1187995038.db2.gz JQSGNDNLWYHXSG-PKOBYXMFSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCO1 ZINC000659676843 1187995261 /nfs/dbraw/zinc/99/52/61/1187995261.db2.gz JQSGNDNLWYHXSG-MJGOQNOKSA-N 2 0 394.560 0.842 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000659686995 1187997773 /nfs/dbraw/zinc/99/77/73/1187997773.db2.gz BKLCGZIUWPXRPQ-SFHVURJKSA-N 2 0 388.512 0.781 20 0 GCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)C1 ZINC000659688192 1187998268 /nfs/dbraw/zinc/99/82/68/1187998268.db2.gz UKEGERZEPGSSPK-FQEVSTJZSA-N 2 0 378.517 0.111 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659697974 1187999515 /nfs/dbraw/zinc/99/95/15/1187999515.db2.gz MINLTHGFOGVDJW-KRWDZBQOSA-N 2 0 375.517 0.035 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659691043 1188000000 /nfs/dbraw/zinc/00/00/00/1188000000.db2.gz FQXMNUFVYOGPSU-AWEZNQCLSA-N 2 0 393.507 0.950 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000659706489 1188002135 /nfs/dbraw/zinc/00/21/35/1188002135.db2.gz LZFKUQDLMNGEBF-UHFFFAOYSA-N 2 0 376.501 0.455 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000659698673 1188003438 /nfs/dbraw/zinc/00/34/38/1188003438.db2.gz HWSOAEMSRJTTOT-MJGOQNOKSA-N 2 0 387.528 0.511 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000376636297 1188012345 /nfs/dbraw/zinc/01/23/45/1188012345.db2.gz GLXUMWVDUZDPCK-AZUAARDMSA-N 2 0 379.593 0.933 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659726930 1188013987 /nfs/dbraw/zinc/01/39/87/1188013987.db2.gz CYUKJAUQKWVSBM-MOPGFXCFSA-N 2 0 385.512 0.763 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000659729930 1188015457 /nfs/dbraw/zinc/01/54/57/1188015457.db2.gz QNSXWDNZNXMBEL-VQIMIIECSA-N 2 0 387.528 0.853 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732801 1188019377 /nfs/dbraw/zinc/01/93/77/1188019377.db2.gz OCEAAQGQQZZFTR-IRXDYDNUSA-N 2 0 379.549 0.391 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659732763 1188019612 /nfs/dbraw/zinc/01/96/12/1188019612.db2.gz SMFYNQYDMGXTDU-UHFFFAOYSA-N 2 0 379.549 0.391 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659734045 1188019731 /nfs/dbraw/zinc/01/97/31/1188019731.db2.gz JSYMGBJVBSNEGR-UHFFFAOYSA-N 2 0 382.549 0.971 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000659756339 1188021043 /nfs/dbraw/zinc/02/10/43/1188021043.db2.gz QVCDRZNVLLODJM-CGTJXYLNSA-N 2 0 381.565 0.506 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415302497 1188027072 /nfs/dbraw/zinc/02/70/72/1188027072.db2.gz NAVUTMBEWZGCRP-OAHLLOKOSA-N 2 0 389.500 0.644 20 0 GCADRP O=C(CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC000909322706 1188055124 /nfs/dbraw/zinc/05/51/24/1188055124.db2.gz JUEPYCUUBJLKDQ-OAQYLSRUSA-N 2 0 388.512 0.342 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415347087 1188055981 /nfs/dbraw/zinc/05/59/81/1188055981.db2.gz BAOROVNMANTZAK-MRXNPFEDSA-N 2 0 389.500 0.043 20 0 GCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000415353089 1188058065 /nfs/dbraw/zinc/05/80/65/1188058065.db2.gz LOVNOKFFVKRTLW-KRWDZBQOSA-N 2 0 385.512 0.964 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000415351341 1188059271 /nfs/dbraw/zinc/05/92/71/1188059271.db2.gz NSWVRCZEIPDODD-HNNXBMFYSA-N 2 0 389.500 0.517 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000415430504 1188078876 /nfs/dbraw/zinc/07/88/76/1188078876.db2.gz RIFJKHAZUXCSFC-OAHLLOKOSA-N 2 0 377.489 0.983 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415461284 1188085179 /nfs/dbraw/zinc/08/51/79/1188085179.db2.gz BUDJFXLQGOTQOG-UHFFFAOYSA-N 2 0 377.489 0.629 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415529999 1188098628 /nfs/dbraw/zinc/09/86/28/1188098628.db2.gz BZAWVWMANMICSI-INIZCTEOSA-N 2 0 389.500 0.629 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415560610 1188106984 /nfs/dbraw/zinc/10/69/84/1188106984.db2.gz VFRSHNCDQVQSQS-CQSZACIVSA-N 2 0 377.489 0.629 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)[C@H](C)C[NH2+]1 ZINC000415565959 1188107117 /nfs/dbraw/zinc/10/71/17/1188107117.db2.gz PJHIHQITXXPMMQ-CHWSQXEVSA-N 2 0 389.456 0.303 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000377734767 1188125437 /nfs/dbraw/zinc/12/54/37/1188125437.db2.gz OZZOUPWPTPKDPF-GOSISDBHSA-N 2 0 381.565 0.909 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000415608812 1188126347 /nfs/dbraw/zinc/12/63/47/1188126347.db2.gz VBTGNYSWIDCYJN-OAQYLSRUSA-N 2 0 385.512 0.585 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c(C)c2)CC1 ZINC000415670579 1188137077 /nfs/dbraw/zinc/13/70/77/1188137077.db2.gz HWFNQWQTMNMIMA-CALCHBBNSA-N 2 0 385.512 0.753 20 0 GCADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415677894 1188140034 /nfs/dbraw/zinc/14/00/34/1188140034.db2.gz VKLAGCCVBZJMRO-HDICACEKSA-N 2 0 397.523 0.835 20 0 GCADRP COC[C@@]1(CNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000415703990 1188143767 /nfs/dbraw/zinc/14/37/67/1188143767.db2.gz GPIVSGDGVRLUAF-IBGZPJMESA-N 2 0 378.473 0.450 20 0 GCADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415760155 1188158127 /nfs/dbraw/zinc/15/81/27/1188158127.db2.gz RQAVRLNVPYASRZ-LBPRGKRZSA-N 2 0 377.415 0.402 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000415813295 1189369125 /nfs/dbraw/zinc/36/91/25/1189369125.db2.gz FVWAMMQQEMNXFR-MJGOQNOKSA-N 2 0 385.512 0.583 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000415837335 1189376478 /nfs/dbraw/zinc/37/64/78/1189376478.db2.gz CMIMELPHXNPLEV-WMZOPIPTSA-N 2 0 387.528 0.816 20 0 GCADRP CN(CC[NH3+])C(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000415861093 1189384658 /nfs/dbraw/zinc/38/46/58/1189384658.db2.gz OJVROWPQPOBSCD-UHFFFAOYSA-N 2 0 375.473 0.857 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1Cl ZINC000415868147 1189388800 /nfs/dbraw/zinc/38/88/00/1189388800.db2.gz XZHAMWLVALELIC-CQSZACIVSA-N 2 0 398.891 0.795 20 0 GCADRP Cc1ccc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000415869289 1189389539 /nfs/dbraw/zinc/38/95/39/1189389539.db2.gz ZTXRXUSGKGWICL-OAHLLOKOSA-N 2 0 378.473 0.450 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415873420 1189391348 /nfs/dbraw/zinc/39/13/48/1189391348.db2.gz UULPVWACVOMJOZ-SJORKVTESA-N 2 0 385.512 0.835 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[NH+]4CCN3CCC4)cc2)C1 ZINC000378320662 1189475346 /nfs/dbraw/zinc/47/53/46/1189475346.db2.gz VOEDIVLGSHRSPN-PKOBYXMFSA-N 2 0 385.512 0.712 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)CC1 ZINC000431867589 1189507125 /nfs/dbraw/zinc/50/71/25/1189507125.db2.gz BZXGHYHEJGZSLQ-UHFFFAOYSA-N 2 0 375.473 0.766 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893238604 1189508759 /nfs/dbraw/zinc/50/87/59/1189508759.db2.gz OADWDJSHXCYOQL-CEXWTWQISA-N 2 0 381.565 0.501 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000378526454 1189527850 /nfs/dbraw/zinc/52/78/50/1189527850.db2.gz NTQJNIGINCEYLT-GUDVDZBRSA-N 2 0 379.549 0.519 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000511571527 1189558901 /nfs/dbraw/zinc/55/89/01/1189558901.db2.gz HCQAYJJWTXTCDH-MJGOQNOKSA-N 2 0 390.528 0.660 20 0 GCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000582080076 1189576637 /nfs/dbraw/zinc/57/66/37/1189576637.db2.gz MXJRZCDHIFIVQA-KRWDZBQOSA-N 2 0 394.560 0.936 20 0 GCADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1OC ZINC000416813151 1189585618 /nfs/dbraw/zinc/58/56/18/1189585618.db2.gz MHWQXODZHAHYEA-HOTGVXAUSA-N 2 0 380.489 0.984 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)Cc1ccccc1 ZINC000416854255 1189588940 /nfs/dbraw/zinc/58/89/40/1189588940.db2.gz UZQIKQJQBWMDHN-MSOLQXFVSA-N 2 0 375.517 0.656 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000416881064 1189591631 /nfs/dbraw/zinc/59/16/31/1189591631.db2.gz ZVEAJXXWJONHQE-IAGOWNOFSA-N 2 0 383.537 0.372 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000584585974 1189598124 /nfs/dbraw/zinc/59/81/24/1189598124.db2.gz FXBCKLVNTXMHFA-WBVHZDCISA-N 2 0 375.473 0.090 20 0 GCADRP CC(C)[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCN(C)CC1 ZINC000416963616 1189601284 /nfs/dbraw/zinc/60/12/84/1189601284.db2.gz VIBIHWKXVZSLEE-ZWKOTPCHSA-N 2 0 396.580 0.288 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000416971567 1189603266 /nfs/dbraw/zinc/60/32/66/1189603266.db2.gz PTQHCPXLQKLMGT-GOSISDBHSA-N 2 0 375.517 0.816 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364000395 1189607808 /nfs/dbraw/zinc/60/78/08/1189607808.db2.gz FWNGZGZTDKIYJD-ROUUACIJSA-N 2 0 381.565 0.813 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417021403 1189608337 /nfs/dbraw/zinc/60/83/37/1189608337.db2.gz NDDXECQYFMNFSR-FQEVSTJZSA-N 2 0 388.560 0.397 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](c2ccccc2)C1 ZINC000417022145 1189608783 /nfs/dbraw/zinc/60/87/83/1189608783.db2.gz NXFPCMVIBZQFTN-PMACEKPBSA-N 2 0 388.560 0.568 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417153673 1189624610 /nfs/dbraw/zinc/62/46/10/1189624610.db2.gz PCHYBEFDCMEEAE-IBGZPJMESA-N 2 0 375.517 0.876 20 0 GCADRP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417307899 1189644117 /nfs/dbraw/zinc/64/41/17/1189644117.db2.gz CEOQJZONKFQDPM-QFBILLFUSA-N 2 0 387.528 0.930 20 0 GCADRP O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000570954153 1189660239 /nfs/dbraw/zinc/66/02/39/1189660239.db2.gz MQNVBBMRDPYWBH-CEXWTWQISA-N 2 0 392.544 0.548 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417488264 1189671762 /nfs/dbraw/zinc/67/17/62/1189671762.db2.gz CHLAWDUGOCOOHN-RBUKOAKNSA-N 2 0 377.533 0.899 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000417525673 1189678464 /nfs/dbraw/zinc/67/84/64/1189678464.db2.gz LXRKKMQIFCPTFE-LJQANCHMSA-N 2 0 389.544 0.859 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@@H](C)C1 ZINC000417669470 1189694797 /nfs/dbraw/zinc/69/47/97/1189694797.db2.gz LIGMWOGFAWYGBJ-KSZLIROESA-N 2 0 397.564 0.620 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000417757714 1189702671 /nfs/dbraw/zinc/70/26/71/1189702671.db2.gz ULCRBJVAYWVEPG-SJORKVTESA-N 2 0 383.537 0.245 20 0 GCADRP [NH3+][C@H](CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)Cc1ccccc1 ZINC000578986754 1189717735 /nfs/dbraw/zinc/71/77/35/1189717735.db2.gz WSVATIGNANFSFP-QXAKKESOSA-N 2 0 385.512 0.693 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418076685 1189718703 /nfs/dbraw/zinc/71/87/03/1189718703.db2.gz ROGBBMAUWZPGLF-FQEVSTJZSA-N 2 0 389.544 0.872 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NCC1CC[NH+](C2CC2)CC1 ZINC000418095521 1189721485 /nfs/dbraw/zinc/72/14/85/1189721485.db2.gz WBRKRIJOIOOALH-HNNXBMFYSA-N 2 0 377.455 0.996 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000660353432 1189732513 /nfs/dbraw/zinc/73/25/13/1189732513.db2.gz DQANHXSWESAINW-DLBZAZTESA-N 2 0 380.533 0.687 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000418179253 1189734791 /nfs/dbraw/zinc/73/47/91/1189734791.db2.gz XKHSIODIMOVKQH-CQSZACIVSA-N 2 0 394.486 0.148 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000364329046 1189747360 /nfs/dbraw/zinc/74/73/60/1189747360.db2.gz FDAZVPJZSRMZHC-OALUTQOASA-N 2 0 381.565 0.909 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285151 1189747990 /nfs/dbraw/zinc/74/79/90/1189747990.db2.gz DYAXIAFOIKUPEX-KDURUIRLSA-N 2 0 380.581 0.482 20 0 GCADRP O=C(NCCC[NH2+]C1CC1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000418292767 1189748757 /nfs/dbraw/zinc/74/87/57/1189748757.db2.gz YVBUWABVQHMNIH-UHFFFAOYSA-N 2 0 389.504 0.287 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418299444 1189754181 /nfs/dbraw/zinc/75/41/81/1189754181.db2.gz NVHYNEVUYPGIRV-NRFANRHFSA-N 2 0 389.544 0.560 20 0 GCADRP C[NH2+]CCNC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000418321468 1189758765 /nfs/dbraw/zinc/75/87/65/1189758765.db2.gz ZDPYMQXEERJOBV-UHFFFAOYSA-N 2 0 375.517 0.876 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693624 1189775573 /nfs/dbraw/zinc/77/55/73/1189775573.db2.gz YTUWTNGVGCPFFP-XSLAGTTESA-N 2 0 394.560 0.968 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000636568561 1189861478 /nfs/dbraw/zinc/86/14/78/1189861478.db2.gz LPFAWERRIGPCJG-HXUWFJFHSA-N 2 0 389.544 0.873 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000660542655 1189896673 /nfs/dbraw/zinc/89/66/73/1189896673.db2.gz AQRVBYZBDJAJME-RTBURBONSA-N 2 0 392.544 0.500 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660627495 1189917700 /nfs/dbraw/zinc/91/77/00/1189917700.db2.gz ZGGMRLJABUTGHJ-LJQANCHMSA-N 2 0 393.576 0.559 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000660755961 1189946974 /nfs/dbraw/zinc/94/69/74/1189946974.db2.gz HAPLQZIGGRBWLD-ROUUACIJSA-N 2 0 382.549 0.935 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000661237374 1190019876 /nfs/dbraw/zinc/01/98/76/1190019876.db2.gz MLQPTQLNMPSDOQ-MOPGFXCFSA-N 2 0 392.544 0.642 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(O)C[NH2+]C1 ZINC000662757018 1190021260 /nfs/dbraw/zinc/02/12/60/1190021260.db2.gz JRGSHWODMDFSQT-UHFFFAOYSA-N 2 0 386.418 0.668 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662757920 1190021692 /nfs/dbraw/zinc/02/16/92/1190021692.db2.gz MNFGRNKCCNEIRI-LPHOPBHVSA-N 2 0 376.501 0.639 20 0 GCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000662789475 1190030610 /nfs/dbraw/zinc/03/06/10/1190030610.db2.gz BTPKGHNTYQDWDP-QAPCUYQASA-N 2 0 388.516 0.786 20 0 GCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000661403665 1190043694 /nfs/dbraw/zinc/04/36/94/1190043694.db2.gz YNPCGXPWVWUJHU-OKZBNKHCSA-N 2 0 378.517 0.110 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000662873073 1190066835 /nfs/dbraw/zinc/06/68/35/1190066835.db2.gz UMISSOVSEWNGEK-SFHVURJKSA-N 2 0 393.553 0.929 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H]1C[NH3+] ZINC000419222878 1193721194 /nfs/dbraw/zinc/72/11/94/1193721194.db2.gz XPVPFJBOMUDWFY-YJBOKZPZSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H]1C[NH3+] ZINC000419222872 1193721197 /nfs/dbraw/zinc/72/11/97/1193721197.db2.gz XPVPFJBOMUDWFY-CRAIPNDOSA-N 2 0 376.501 0.829 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000411020559 1193721536 /nfs/dbraw/zinc/72/15/36/1193721536.db2.gz GJCPBLUAAJROAX-SFHVURJKSA-N 2 0 380.533 0.498 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000419224425 1193722978 /nfs/dbraw/zinc/72/29/78/1193722978.db2.gz ZJZQACQERVBDCZ-GOSISDBHSA-N 2 0 376.501 0.877 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000419224426 1193723139 /nfs/dbraw/zinc/72/31/39/1193723139.db2.gz ZJZQACQERVBDCZ-SFHVURJKSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419223894 1193723231 /nfs/dbraw/zinc/72/32/31/1193723231.db2.gz YWMPOGOFFGMSGZ-VQIMIIECSA-N 2 0 388.512 0.639 20 0 GCADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000411023955 1193723255 /nfs/dbraw/zinc/72/32/55/1193723255.db2.gz UGFFIVKFGOIYRI-QGZVFWFLSA-N 2 0 396.576 0.870 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419223893 1193723325 /nfs/dbraw/zinc/72/33/25/1193723325.db2.gz YWMPOGOFFGMSGZ-QFBILLFUSA-N 2 0 388.512 0.639 20 0 GCADRP C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000663915107 1193727682 /nfs/dbraw/zinc/72/76/82/1193727682.db2.gz WLRAWPYVSRHQRN-JVPBZIDWSA-N 2 0 393.507 0.955 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512676257 1193731500 /nfs/dbraw/zinc/73/15/00/1193731500.db2.gz BLPICGWGVFJQKI-MOPGFXCFSA-N 2 0 383.581 0.796 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419229111 1193736709 /nfs/dbraw/zinc/73/67/09/1193736709.db2.gz NQLDKIULPKTGHK-NUJGCVRESA-N 2 0 388.512 0.445 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419233198 1193744362 /nfs/dbraw/zinc/74/43/62/1193744362.db2.gz VQPUBNBLERPTJN-JFRXWTBNSA-N 2 0 388.512 0.364 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512736445 1193748630 /nfs/dbraw/zinc/74/86/30/1193748630.db2.gz VBKQEKSWIUMIEF-WBVHZDCISA-N 2 0 396.557 0.942 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664006006 1193750974 /nfs/dbraw/zinc/75/09/74/1193750974.db2.gz FUQCECRQXSUOEO-GOSISDBHSA-N 2 0 380.533 0.872 20 0 GCADRP CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000433127842 1193761870 /nfs/dbraw/zinc/76/18/70/1193761870.db2.gz UWADVMDZCPWWBC-UHFFFAOYSA-N 2 0 380.514 0.687 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433143382 1193764494 /nfs/dbraw/zinc/76/44/94/1193764494.db2.gz HNOKAUPXERINCB-UHFFFAOYSA-N 3 0 395.592 0.933 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000433152658 1193766893 /nfs/dbraw/zinc/76/68/93/1193766893.db2.gz SMTFXSWWJSWGSZ-UHFFFAOYSA-N 2 0 382.530 0.426 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC1 ZINC000433156992 1193769359 /nfs/dbraw/zinc/76/93/59/1193769359.db2.gz DSVFEQZXSSRCIO-UHFFFAOYSA-N 2 0 393.576 0.737 20 0 GCADRP CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433158468 1193769460 /nfs/dbraw/zinc/76/94/60/1193769460.db2.gz PPCJENUHJPUTFN-UHFFFAOYSA-N 2 0 382.530 0.756 20 0 GCADRP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000051958758 1193773041 /nfs/dbraw/zinc/77/30/41/1193773041.db2.gz MTCHHURZYJAWJX-GOSISDBHSA-N 2 0 381.517 0.832 20 0 GCADRP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000051958761 1193773420 /nfs/dbraw/zinc/77/34/20/1193773420.db2.gz MTCHHURZYJAWJX-SFHVURJKSA-N 2 0 381.517 0.832 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000419265405 1193774536 /nfs/dbraw/zinc/77/45/36/1193774536.db2.gz DREMPWBTCYTAIB-OALUTQOASA-N 2 0 388.512 0.863 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCO1 ZINC000419285000 1193785654 /nfs/dbraw/zinc/78/56/54/1193785654.db2.gz LRYUFWRXNZKRPS-IBGZPJMESA-N 2 0 388.512 0.865 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419291345 1193788259 /nfs/dbraw/zinc/78/82/59/1193788259.db2.gz WPHDJQZFUHOKKQ-PBHICJAKSA-N 2 0 393.507 0.854 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419294420 1193789867 /nfs/dbraw/zinc/78/98/67/1193789867.db2.gz BRVIVLUFPUMWPB-KGLIPLIRSA-N 2 0 379.480 0.608 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419294618 1193791636 /nfs/dbraw/zinc/79/16/36/1193791636.db2.gz BUAGZQYRNNWQEG-UKRRQHHQSA-N 2 0 377.464 0.314 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000419296369 1193791891 /nfs/dbraw/zinc/79/18/91/1193791891.db2.gz DZSQRMDIKNXNIT-OAHLLOKOSA-N 2 0 393.507 0.871 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000419300205 1193794124 /nfs/dbraw/zinc/79/41/24/1193794124.db2.gz LGRBXFLDTFZNTG-CABCVRRESA-N 2 0 393.507 0.950 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419301344 1193794528 /nfs/dbraw/zinc/79/45/28/1193794528.db2.gz NNIBPVFNRIXZLM-SUMWQHHRSA-N 2 0 391.491 0.608 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419303798 1193796764 /nfs/dbraw/zinc/79/67/64/1193796764.db2.gz SRTUSJQRPUTBGL-HNNXBMFYSA-N 2 0 391.491 0.577 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419305337 1193797201 /nfs/dbraw/zinc/79/72/01/1193797201.db2.gz WMLJEXLGIUDXLD-CABCVRRESA-N 2 0 391.491 0.575 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419305842 1193798728 /nfs/dbraw/zinc/79/87/28/1193798728.db2.gz XMGRMJFWGOIPJG-HUUCEWRRSA-N 2 0 393.507 0.998 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000433335614 1193809036 /nfs/dbraw/zinc/80/90/36/1193809036.db2.gz MHFJXXKMCBOWEK-GOSISDBHSA-N 2 0 380.581 0.291 20 0 GCADRP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000333138444 1193817509 /nfs/dbraw/zinc/81/75/09/1193817509.db2.gz BZBCTXOVISKYOX-IPMKNSEASA-N 2 0 381.565 0.953 20 0 GCADRP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000333138442 1193817858 /nfs/dbraw/zinc/81/78/58/1193817858.db2.gz BZBCTXOVISKYOX-GUDVDZBRSA-N 2 0 381.565 0.953 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C1 ZINC000419327454 1193818148 /nfs/dbraw/zinc/81/81/48/1193818148.db2.gz CZTUZKYRPWROLT-IRXDYDNUSA-N 2 0 390.528 0.560 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000419329440 1193822525 /nfs/dbraw/zinc/82/25/25/1193822525.db2.gz FJCDNOIIWFIZTO-LJQANCHMSA-N 2 0 387.528 0.309 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419331865 1193824629 /nfs/dbraw/zinc/82/46/29/1193824629.db2.gz HIDDHOGKQIRUBC-GOSISDBHSA-N 2 0 392.500 0.210 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419335755 1193828892 /nfs/dbraw/zinc/82/88/92/1193828892.db2.gz JYVXRQRHRREBOF-INIZCTEOSA-N 2 0 375.517 0.151 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000419336840 1193832517 /nfs/dbraw/zinc/83/25/17/1193832517.db2.gz AWBZOBGKRYPSDY-QZTJIDSGSA-N 2 0 376.501 0.160 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000419341236 1193834449 /nfs/dbraw/zinc/83/44/49/1193834449.db2.gz OCQODGOFFCPAJY-INIZCTEOSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419344593 1193837431 /nfs/dbraw/zinc/83/74/31/1193837431.db2.gz SDAQMGWKDSYZJA-MRXNPFEDSA-N 2 0 376.501 0.844 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000419346085 1193841622 /nfs/dbraw/zinc/84/16/22/1193841622.db2.gz UVCJULOLCFIYCS-IBGZPJMESA-N 2 0 387.528 0.248 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000419346410 1193841829 /nfs/dbraw/zinc/84/18/29/1193841829.db2.gz VKXXCGXXOQLQHF-QGZVFWFLSA-N 2 0 388.516 0.098 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000419349980 1193845279 /nfs/dbraw/zinc/84/52/79/1193845279.db2.gz YWJGBZZJWZHAAB-QGZVFWFLSA-N 2 0 387.528 0.248 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857101 /nfs/dbraw/zinc/85/71/01/1193857101.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 2 0 379.549 0.396 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433457644 1193860861 /nfs/dbraw/zinc/86/08/61/1193860861.db2.gz QEFKGOXLXSJFNP-SFHVURJKSA-N 2 0 397.564 0.683 20 0 GCADRP CC(C)c1ncc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000571381873 1193862758 /nfs/dbraw/zinc/86/27/58/1193862758.db2.gz QFAPCECXIWXOOA-UHFFFAOYSA-N 2 0 378.521 0.510 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000419364872 1193870260 /nfs/dbraw/zinc/87/02/60/1193870260.db2.gz XEMFCDJULBHELR-KRWDZBQOSA-N 3 0 390.532 0.200 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)Cc2ccccc2C1 ZINC000419373018 1193876400 /nfs/dbraw/zinc/87/64/00/1193876400.db2.gz LWZZTNQNNAWRPV-FHWLQOOXSA-N 2 0 384.524 0.788 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000419380860 1193880464 /nfs/dbraw/zinc/88/04/64/1193880464.db2.gz XWOSVIFFNNGFAC-MSOLQXFVSA-N 2 0 376.501 0.242 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419380927 1193887385 /nfs/dbraw/zinc/88/73/85/1193887385.db2.gz XXTDIVQKEQPNLH-RCCFBDPRSA-N 2 0 382.549 0.824 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCNC[C@H]2c2nccn2C)CC1=O ZINC000261670002 1193922622 /nfs/dbraw/zinc/92/26/22/1193922622.db2.gz GIABROIVONWCCN-ZACQAIPSSA-N 2 0 388.516 0.226 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000664175862 1193948161 /nfs/dbraw/zinc/94/81/61/1193948161.db2.gz ROGWFODOZNOMGD-ROUUACIJSA-N 2 0 395.548 0.470 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000513457436 1193953101 /nfs/dbraw/zinc/95/31/01/1193953101.db2.gz JLYUOTAJWMNKFD-IAGOWNOFSA-N 2 0 382.549 0.650 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000513464452 1193953857 /nfs/dbraw/zinc/95/38/57/1193953857.db2.gz YJZLUIYSTCTSFE-INIZCTEOSA-N 2 0 383.581 0.563 20 0 GCADRP CCCCN(C(=O)CN1CC[C@@H](C[NH3+])C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000647829747 1193954452 /nfs/dbraw/zinc/95/44/52/1193954452.db2.gz UFGXMAVPJWXDPT-ZDUSSCGKSA-N 2 0 380.493 0.355 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000263077236 1193961789 /nfs/dbraw/zinc/96/17/89/1193961789.db2.gz CQAUSOGHWLNKLD-FQEVSTJZSA-N 2 0 389.544 0.362 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)N1CCOCC1 ZINC000549940895 1193965320 /nfs/dbraw/zinc/96/53/20/1193965320.db2.gz NBRYFGIUMAWMON-KRWDZBQOSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261807120 1194010836 /nfs/dbraw/zinc/01/08/36/1194010836.db2.gz JGMJRPRGXBFMIN-MJGOQNOKSA-N 3 0 393.576 0.556 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000419402277 1194020169 /nfs/dbraw/zinc/02/01/69/1194020169.db2.gz CBKPLFXETVIFEK-NJAFHUGGSA-N 2 0 380.533 0.579 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419404600 1194020768 /nfs/dbraw/zinc/02/07/68/1194020768.db2.gz UBYQXNMAHTYESU-NXHRZFHOSA-N 2 0 390.553 0.916 20 0 GCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419419709 1194022418 /nfs/dbraw/zinc/02/24/18/1194022418.db2.gz MIEQBBOHUGZSNO-LJQANCHMSA-N 2 0 387.528 0.260 20 0 GCADRP [NH3+][C@H](CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419421710 1194023516 /nfs/dbraw/zinc/02/35/16/1194023516.db2.gz PJHFHZKUMNLVPR-LJQANCHMSA-N 2 0 387.528 0.164 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419420655 1194023620 /nfs/dbraw/zinc/02/36/20/1194023620.db2.gz KCXZPZAPPUHGKH-CALCHBBNSA-N 2 0 382.549 0.827 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420925 1194024283 /nfs/dbraw/zinc/02/42/83/1194024283.db2.gz NYRBVUNNVJNKIJ-RTBURBONSA-N 2 0 387.528 0.350 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419421005 1194024392 /nfs/dbraw/zinc/02/43/92/1194024392.db2.gz OECMRPLBQLSSEF-LJQANCHMSA-N 2 0 387.528 0.179 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424307 1194025237 /nfs/dbraw/zinc/02/52/37/1194025237.db2.gz SXZLQDHJKYJHBY-GOSISDBHSA-N 2 0 375.517 0.207 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419426875 1194026114 /nfs/dbraw/zinc/02/61/14/1194026114.db2.gz YFPDXGNSJBNSDI-OALUTQOASA-N 2 0 399.539 0.383 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000419427024 1194027529 /nfs/dbraw/zinc/02/75/29/1194027529.db2.gz YGRDBEWCZPZUMT-IEBWSBKVSA-N 2 0 387.528 0.511 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000419410397 1194028982 /nfs/dbraw/zinc/02/89/82/1194028982.db2.gz AJBXMSIGFVUDES-ROUUACIJSA-N 2 0 387.528 0.524 20 0 GCADRP CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419411314 1194029581 /nfs/dbraw/zinc/02/95/81/1194029581.db2.gz HNBOLXWPYBMXNA-QZTJIDSGSA-N 2 0 376.501 0.637 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419411784 1194029877 /nfs/dbraw/zinc/02/98/77/1194029877.db2.gz BWCDPNDHMHEGGV-QFIPXVFZSA-N 2 0 399.539 0.527 20 0 GCADRP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419413044 1194030860 /nfs/dbraw/zinc/03/08/60/1194030860.db2.gz KCLCXDIRUQXLGY-WDSOQIARSA-N 2 0 390.528 0.754 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419414016 1194031120 /nfs/dbraw/zinc/03/11/20/1194031120.db2.gz DRYBMDVYRKDJCT-OALUTQOASA-N 2 0 388.512 0.516 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419445187 1194035929 /nfs/dbraw/zinc/03/59/29/1194035929.db2.gz DOKVZIUIJRUULI-SCTDSRPQSA-N 2 0 387.528 0.509 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419478438 1194040127 /nfs/dbraw/zinc/04/01/27/1194040127.db2.gz JRPGYQNMEQDMPE-GOSISDBHSA-N 2 0 381.565 0.544 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000419499801 1194046175 /nfs/dbraw/zinc/04/61/75/1194046175.db2.gz CMRMKTCMDFVQHS-QGZVFWFLSA-N 2 0 375.517 0.429 20 0 GCADRP [NH3+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000419503401 1194046691 /nfs/dbraw/zinc/04/66/91/1194046691.db2.gz HISCIFUMAKDTIF-UHFFFAOYSA-N 2 0 395.507 0.700 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000419505771 1194046773 /nfs/dbraw/zinc/04/67/73/1194046773.db2.gz KXVZYCITUIERIW-INIZCTEOSA-N 2 0 392.500 0.080 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419514628 1194051985 /nfs/dbraw/zinc/05/19/85/1194051985.db2.gz PDUCWKHCMLVIQQ-SFHVURJKSA-N 2 0 389.544 0.724 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000419518565 1194052656 /nfs/dbraw/zinc/05/26/56/1194052656.db2.gz ZADPTQRBSXBBLS-GOSISDBHSA-N 2 0 387.528 0.573 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000419557796 1194054535 /nfs/dbraw/zinc/05/45/35/1194054535.db2.gz LQXBSCUMBPOMMT-HOCLYGCPSA-N 2 0 382.530 0.599 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419535963 1194055053 /nfs/dbraw/zinc/05/50/53/1194055053.db2.gz LQEHFIGKSZRNMU-FUHWJXTLSA-N 2 0 376.501 0.619 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000419560702 1194061057 /nfs/dbraw/zinc/06/10/57/1194061057.db2.gz RKRXSVDVYOOEEK-FCLVOEFKSA-N 2 0 388.512 0.856 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419588138 1194066418 /nfs/dbraw/zinc/06/64/18/1194066418.db2.gz FMFJBUBVGSMFIG-SFHVURJKSA-N 2 0 390.528 0.893 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000419654512 1194074019 /nfs/dbraw/zinc/07/40/19/1194074019.db2.gz GPZIASMFSXLSOH-OAQYLSRUSA-N 2 0 388.512 0.845 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419656814 1194074556 /nfs/dbraw/zinc/07/45/56/1194074556.db2.gz IZXUNSIRCAYBSO-FUHWJXTLSA-N 2 0 376.501 0.508 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419657725 1194074787 /nfs/dbraw/zinc/07/47/87/1194074787.db2.gz JVYRMHIIKADTOQ-WBVHZDCISA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000419665133 1194077652 /nfs/dbraw/zinc/07/76/52/1194077652.db2.gz STTOZHRFRIRDSP-GOSISDBHSA-N 2 0 390.528 0.873 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419666320 1194077905 /nfs/dbraw/zinc/07/79/05/1194077905.db2.gz WAECBOOBDMEIRM-ROUUACIJSA-N 2 0 388.512 0.701 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419666313 1194078280 /nfs/dbraw/zinc/07/82/80/1194078280.db2.gz VZMZPFUTMXPHNG-QRQLOZEOSA-N 2 0 388.512 0.650 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000419668430 1194078622 /nfs/dbraw/zinc/07/86/22/1194078622.db2.gz YHWLWMBCNBIHJH-HOTGVXAUSA-N 2 0 376.501 0.842 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000419676754 1194079838 /nfs/dbraw/zinc/07/98/38/1194079838.db2.gz BSQCCRXNFCPINW-HOTGVXAUSA-N 2 0 382.574 0.969 20 0 GCADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419678041 1194080071 /nfs/dbraw/zinc/08/00/71/1194080071.db2.gz OFNFXHDBAJWALZ-KRWDZBQOSA-N 2 0 380.533 0.644 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000419706342 1194083206 /nfs/dbraw/zinc/08/32/06/1194083206.db2.gz KDIRLFHNRMPUOR-MXSMSXNCSA-N 2 0 388.512 0.995 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1C[NH3+] ZINC000419696866 1194086900 /nfs/dbraw/zinc/08/69/00/1194086900.db2.gz VSFSPMJUZWGFNK-CVEARBPZSA-N 2 0 382.574 0.908 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419739436 1194093908 /nfs/dbraw/zinc/09/39/08/1194093908.db2.gz FVPJNQKCCZZGCE-UHFFFAOYSA-N 2 0 395.935 0.694 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419740283 1194093987 /nfs/dbraw/zinc/09/39/87/1194093987.db2.gz XCLGMCSSTFGZPH-WMLDXEAASA-N 2 0 382.455 0.985 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419740284 1194094060 /nfs/dbraw/zinc/09/40/60/1194094060.db2.gz XCLGMCSSTFGZPH-YOEHRIQHSA-N 2 0 382.455 0.985 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419741198 1194094306 /nfs/dbraw/zinc/09/43/06/1194094306.db2.gz IBLQGUDGZUIGEV-UHFFFAOYSA-N 2 0 393.919 0.400 20 0 GCADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000419743649 1194095272 /nfs/dbraw/zinc/09/52/72/1194095272.db2.gz LWZKDDQBTUYGCB-INIZCTEOSA-N 2 0 393.919 0.528 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419745750 1194095403 /nfs/dbraw/zinc/09/54/03/1194095403.db2.gz PMLJKFDOMWRXHB-UHFFFAOYSA-N 2 0 395.935 0.694 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419750100 1194096314 /nfs/dbraw/zinc/09/63/14/1194096314.db2.gz IEDNWCYXPOFZDA-UHFFFAOYSA-N 2 0 390.528 0.980 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CCCC2)CC1 ZINC000419750838 1194096871 /nfs/dbraw/zinc/09/68/71/1194096871.db2.gz JEAUPOPWZBKQRP-IRXDYDNUSA-N 2 0 392.544 0.594 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CCCC2)CC1 ZINC000419752506 1194097471 /nfs/dbraw/zinc/09/74/71/1194097471.db2.gz MFTHSZUYKLRHLM-IYBDPMFKSA-N 2 0 380.533 0.735 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CCCC2)CC1 ZINC000419753588 1194097880 /nfs/dbraw/zinc/09/78/80/1194097880.db2.gz NYWUCDGXVVUFMQ-IAGOWNOFSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)[C@@H](C)C[NH2+]1 ZINC000419753916 1194098082 /nfs/dbraw/zinc/09/80/82/1194098082.db2.gz ZERTVIBCYGRZDL-HOTGVXAUSA-N 2 0 388.512 0.468 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419759969 1194099190 /nfs/dbraw/zinc/09/91/90/1194099190.db2.gz YVESTYCLTCDRKN-DZGCQCFKSA-N 2 0 384.521 0.221 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419759974 1194099244 /nfs/dbraw/zinc/09/92/44/1194099244.db2.gz YVESTYCLTCDRKN-ZFWWWQNUSA-N 2 0 384.521 0.221 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000419737931 1194099567 /nfs/dbraw/zinc/09/95/67/1194099567.db2.gz YJUGPAOBEJFLDA-ZWKOTPCHSA-N 2 0 376.501 0.763 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000419760273 1194100937 /nfs/dbraw/zinc/10/09/37/1194100937.db2.gz ZIXVMSDBNOKGIP-GOSISDBHSA-N 2 0 394.560 0.983 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000419764211 1194101431 /nfs/dbraw/zinc/10/14/31/1194101431.db2.gz VURHRHAISDDDRJ-XJKSGUPXSA-N 2 0 380.464 0.603 20 0 GCADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000419772736 1194102964 /nfs/dbraw/zinc/10/29/64/1194102964.db2.gz ZCCNWGRKAJCPSX-RTBURBONSA-N 2 0 388.512 0.589 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)cc2)CC1 ZINC000419803643 1194106832 /nfs/dbraw/zinc/10/68/32/1194106832.db2.gz FHOJMPOATCRGAD-UHFFFAOYSA-N 2 0 387.528 0.973 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000419817253 1194109071 /nfs/dbraw/zinc/10/90/71/1194109071.db2.gz REYZPNIIGQCJKG-SFHVURJKSA-N 2 0 376.501 0.762 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000419821499 1194110514 /nfs/dbraw/zinc/11/05/14/1194110514.db2.gz OQHWWQJYZAQKSG-MSOLQXFVSA-N 2 0 390.484 0.053 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419806204 1194111494 /nfs/dbraw/zinc/11/14/94/1194111494.db2.gz FBLTZSYAZQZOSV-LJQANCHMSA-N 2 0 386.496 0.984 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419850875 1194114692 /nfs/dbraw/zinc/11/46/92/1194114692.db2.gz HVUOZZNEJNMGLX-LJQANCHMSA-N 2 0 387.528 0.351 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000419832461 1194116395 /nfs/dbraw/zinc/11/63/95/1194116395.db2.gz YHJNUHLXUAYZNI-ZIFCJYIRSA-N 2 0 386.496 0.626 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419832060 1194116550 /nfs/dbraw/zinc/11/65/50/1194116550.db2.gz RLOOQSUFNPRZRX-SFHVURJKSA-N 2 0 389.544 0.364 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419838540 1194118177 /nfs/dbraw/zinc/11/81/77/1194118177.db2.gz GAEUDPCQHSWGMF-JFIYKMOQSA-N 2 0 380.533 0.593 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419845099 1194119746 /nfs/dbraw/zinc/11/97/46/1194119746.db2.gz PJKZIGRBIFAYFP-BHIYHBOVSA-N 2 0 393.576 0.650 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419845101 1194119909 /nfs/dbraw/zinc/11/99/09/1194119909.db2.gz PJKZIGRBIFAYFP-QXAKKESOSA-N 2 0 393.576 0.650 20 0 GCADRP CCN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419861562 1194124545 /nfs/dbraw/zinc/12/45/45/1194124545.db2.gz FPOLWGCJBQHTPD-LJQANCHMSA-N 2 0 387.528 0.131 20 0 GCADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419869068 1194126867 /nfs/dbraw/zinc/12/68/67/1194126867.db2.gz CQBBGBFECFZKFC-UHFFFAOYSA-N 2 0 375.517 0.118 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419870515 1194127965 /nfs/dbraw/zinc/12/79/65/1194127965.db2.gz OMWNZBKOFDASIW-LJQANCHMSA-N 2 0 387.528 0.179 20 0 GCADRP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419873223 1194128303 /nfs/dbraw/zinc/12/83/03/1194128303.db2.gz VCIHELHUJFJTJC-OTWHNJEPSA-N 2 0 393.576 0.636 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000419874177 1194128944 /nfs/dbraw/zinc/12/89/44/1194128944.db2.gz NHBVIPZOJSFBBN-YTQUADARSA-N 2 0 386.496 0.564 20 0 GCADRP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419875562 1194129435 /nfs/dbraw/zinc/12/94/35/1194129435.db2.gz HFLWHXTUDYRFDN-KBAYOESNSA-N 2 0 379.549 0.260 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000419876531 1194130053 /nfs/dbraw/zinc/13/00/53/1194130053.db2.gz WCEZTJVXHJFRRA-LJQANCHMSA-N 2 0 387.528 0.351 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419878126 1194130689 /nfs/dbraw/zinc/13/06/89/1194130689.db2.gz XSHXILQEBKFMAG-UHFFFAOYSA-N 2 0 387.528 0.179 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419915440 1194138042 /nfs/dbraw/zinc/13/80/42/1194138042.db2.gz PMEVVVJTRASYRQ-AWEZNQCLSA-N 2 0 382.455 0.971 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000419915416 1194138058 /nfs/dbraw/zinc/13/80/58/1194138058.db2.gz PJDOEEQSLFQULX-INIZCTEOSA-N 2 0 376.501 0.701 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419917091 1194138724 /nfs/dbraw/zinc/13/87/24/1194138724.db2.gz RPHRJWVHCJWPBE-KURKYZTESA-N 2 0 379.549 0.119 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419923070 1194139263 /nfs/dbraw/zinc/13/92/63/1194139263.db2.gz APVUUEQMYFHRGT-HNNXBMFYSA-N 2 0 375.473 0.245 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000419906732 1194140875 /nfs/dbraw/zinc/14/08/75/1194140875.db2.gz WZDCPOLUGFVYFQ-WDSOQIARSA-N 2 0 388.512 0.810 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419908625 1194141695 /nfs/dbraw/zinc/14/16/95/1194141695.db2.gz IXIWEDTUADXROO-RBUKOAKNSA-N 2 0 395.592 0.898 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000419911888 1194142680 /nfs/dbraw/zinc/14/26/80/1194142680.db2.gz KJFVBFMMIKJEQG-MSOLQXFVSA-N 2 0 376.501 0.762 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000419911890 1194142879 /nfs/dbraw/zinc/14/28/79/1194142879.db2.gz KJFVBFMMIKJEQG-ROUUACIJSA-N 2 0 376.501 0.762 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419950406 1194143278 /nfs/dbraw/zinc/14/32/78/1194143278.db2.gz MGSWNXZRDAAVDE-ZACQAIPSSA-N 2 0 382.549 0.696 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419950372 1194143293 /nfs/dbraw/zinc/14/32/93/1194143293.db2.gz MEUQAXOMWGZQBF-GOSISDBHSA-N 2 0 389.544 0.234 20 0 GCADRP CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419938668 1194145699 /nfs/dbraw/zinc/14/56/99/1194145699.db2.gz PYQOJRNKEOPAOA-GOSISDBHSA-N 2 0 387.528 0.525 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419939862 1194146028 /nfs/dbraw/zinc/14/60/28/1194146028.db2.gz YWFFFEFJPCFJJA-GOSISDBHSA-N 2 0 375.517 0.287 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419940751 1194146335 /nfs/dbraw/zinc/14/63/35/1194146335.db2.gz VDWDGOZFAXZHEE-SOLBZPMBSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419940752 1194146418 /nfs/dbraw/zinc/14/64/18/1194146418.db2.gz VDWDGOZFAXZHEE-XYJFISCASA-N 2 0 380.533 0.593 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000419973697 1194150740 /nfs/dbraw/zinc/15/07/40/1194150740.db2.gz HALWTLGVKLOSLZ-KRWDZBQOSA-N 2 0 381.565 0.352 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419980582 1194151868 /nfs/dbraw/zinc/15/18/68/1194151868.db2.gz RAARNEXFXJOKRX-JFIYKMOQSA-N 2 0 382.549 0.824 20 0 GCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420007629 1194157109 /nfs/dbraw/zinc/15/71/09/1194157109.db2.gz ZRDQUMYIKFMMKC-IBGZPJMESA-N 2 0 394.560 0.843 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420030650 1194160303 /nfs/dbraw/zinc/16/03/03/1194160303.db2.gz GPKTWIUPVRKIIN-HOCLYGCPSA-N 2 0 384.521 0.175 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCN1CC(C)(C)O ZINC000420036472 1194161384 /nfs/dbraw/zinc/16/13/84/1194161384.db2.gz FRKWLMHRRBKLEY-INIZCTEOSA-N 2 0 382.549 0.719 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000420017251 1194162531 /nfs/dbraw/zinc/16/25/31/1194162531.db2.gz NYTQGNTULABTAE-GOEBONIOSA-N 2 0 375.473 0.373 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420019079 1194162687 /nfs/dbraw/zinc/16/26/87/1194162687.db2.gz QPVWRUKVLPBGCT-UKBAYJJMSA-N 2 0 394.560 0.968 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000420059976 1194164542 /nfs/dbraw/zinc/16/45/42/1194164542.db2.gz KDHNDKQKHBRYMJ-LJQANCHMSA-N 2 0 387.528 0.116 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000420062849 1194165168 /nfs/dbraw/zinc/16/51/68/1194165168.db2.gz NENMOMQRDBPULF-MSOLQXFVSA-N 2 0 393.576 0.496 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420038944 1194166128 /nfs/dbraw/zinc/16/61/28/1194166128.db2.gz NKMVJZDCNYDGJV-ARFHVFGLSA-N 2 0 384.521 0.175 20 0 GCADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040227 1194166342 /nfs/dbraw/zinc/16/63/42/1194166342.db2.gz KRCFHGUPIRRCFC-MRXNPFEDSA-N 2 0 382.549 0.719 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040049 1194166367 /nfs/dbraw/zinc/16/63/67/1194166367.db2.gz KDAZXENCURKKOX-GOSISDBHSA-N 2 0 382.549 0.984 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420049107 1194169503 /nfs/dbraw/zinc/16/95/03/1194169503.db2.gz YCZHXAWXZZDNQO-NVXWUHKLSA-N 2 0 396.532 0.319 20 0 GCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420103411 1194178618 /nfs/dbraw/zinc/17/86/18/1194178618.db2.gz QZRLWSMIZJIHBI-JOQOYGCGSA-N 2 0 394.466 0.937 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000420107022 1194179816 /nfs/dbraw/zinc/17/98/16/1194179816.db2.gz WVXCAPFWCYRNGM-DHSIGJKJSA-N 2 0 394.466 0.937 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000420111478 1194181427 /nfs/dbraw/zinc/18/14/27/1194181427.db2.gz WUEARFKETRMBSV-UZLBHIALSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420111450 1194181531 /nfs/dbraw/zinc/18/15/31/1194181531.db2.gz WUAURXQPYVYLRP-LLGFUMIMSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000420137168 1194184873 /nfs/dbraw/zinc/18/48/73/1194184873.db2.gz WRYUQSOAMZARQH-IMBTUZDBSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420118068 1194186438 /nfs/dbraw/zinc/18/64/38/1194186438.db2.gz JVHVKQYNYSVPKC-QZTJIDSGSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420118070 1194186572 /nfs/dbraw/zinc/18/65/72/1194186572.db2.gz JVHVKQYNYSVPKC-ROUUACIJSA-N 2 0 393.576 0.509 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420160740 1194191060 /nfs/dbraw/zinc/19/10/60/1194191060.db2.gz VICDYFIBZLWRMO-NEWSRXKRSA-N 2 0 395.592 0.896 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420160744 1194191815 /nfs/dbraw/zinc/19/18/15/1194191815.db2.gz VICDYFIBZLWRMO-QRQLOZEOSA-N 2 0 395.592 0.896 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420140742 1194192364 /nfs/dbraw/zinc/19/23/64/1194192364.db2.gz HASRVJKOWYORLG-JZXOWHBKSA-N 2 0 382.549 0.968 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420141764 1194192793 /nfs/dbraw/zinc/19/27/93/1194192793.db2.gz SFZUEWUESQCLJX-UHFFFAOYSA-N 2 0 380.439 0.891 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)c1 ZINC000420152684 1194194650 /nfs/dbraw/zinc/19/46/50/1194194650.db2.gz ALFPGMGMRWFHPT-MRXNPFEDSA-N 2 0 389.500 0.633 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420177563 1194195697 /nfs/dbraw/zinc/19/56/97/1194195697.db2.gz SHLIMRBTIGYVOK-QGZVFWFLSA-N 2 0 382.549 0.840 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420182089 1194197137 /nfs/dbraw/zinc/19/71/37/1194197137.db2.gz FEYPJGKMKOLSQM-CEXWTWQISA-N 2 0 386.496 0.072 20 0 GCADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000420184620 1194197807 /nfs/dbraw/zinc/19/78/07/1194197807.db2.gz ILIVXNNGVHXQDR-GOSISDBHSA-N 2 0 376.501 0.380 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420168955 1194200078 /nfs/dbraw/zinc/20/00/78/1194200078.db2.gz KWIOMCHCOSCDMI-ZACQAIPSSA-N 2 0 382.549 0.839 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420168953 1194200274 /nfs/dbraw/zinc/20/02/74/1194200274.db2.gz KWIOMCHCOSCDMI-BRWVUGGUSA-N 2 0 382.549 0.839 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420174607 1194201450 /nfs/dbraw/zinc/20/14/50/1194201450.db2.gz UAULAHPMVALDMU-OXQOHEQNSA-N 2 0 376.501 0.196 20 0 GCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000420201920 1194203606 /nfs/dbraw/zinc/20/36/06/1194203606.db2.gz NOTRQAWIXJGZFX-QZTJIDSGSA-N 2 0 380.533 0.581 20 0 GCADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)C2)CC1 ZINC000420187108 1194205981 /nfs/dbraw/zinc/20/59/81/1194205981.db2.gz LSWIHVUQBQNAEM-MSOLQXFVSA-N 2 0 380.533 0.452 20 0 GCADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000420189194 1194206343 /nfs/dbraw/zinc/20/63/43/1194206343.db2.gz NSRDMKCNBFXGDO-CTWPCTMYSA-N 2 0 394.560 0.840 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420189544 1194206570 /nfs/dbraw/zinc/20/65/70/1194206570.db2.gz UZHJLXGYJXNVCK-SFHVURJKSA-N 2 0 376.501 0.462 20 0 GCADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501595717 1194207692 /nfs/dbraw/zinc/20/76/92/1194207692.db2.gz HEICCQYDWMHLRO-QFBILLFUSA-N 2 0 392.544 0.737 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501622159 1194209311 /nfs/dbraw/zinc/20/93/11/1194209311.db2.gz IIERKONUVIOOBA-ZIFCJYIRSA-N 2 0 394.560 0.983 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000420210150 1194212335 /nfs/dbraw/zinc/21/23/35/1194212335.db2.gz NGMCTEKLMRVHBM-XMTFNYHQSA-N 2 0 380.533 0.450 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000420210143 1194212364 /nfs/dbraw/zinc/21/23/64/1194212364.db2.gz NGMCTEKLMRVHBM-BRSBDYLESA-N 2 0 380.533 0.450 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000420210717 1194212726 /nfs/dbraw/zinc/21/27/26/1194212726.db2.gz SLQKXRZHFPNIBV-ZAWLATJESA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000501647456 1194216347 /nfs/dbraw/zinc/21/63/47/1194216347.db2.gz WVQVPAXYYZEDBQ-INMHGKMJSA-N 2 0 378.517 0.345 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000501647455 1194216540 /nfs/dbraw/zinc/21/65/40/1194216540.db2.gz WVQVPAXYYZEDBQ-HLLBOEOZSA-N 2 0 378.517 0.345 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000501639284 1194216863 /nfs/dbraw/zinc/21/68/63/1194216863.db2.gz NLVQURGCMYXNQB-QZTJIDSGSA-N 2 0 394.560 0.984 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000501639286 1194217356 /nfs/dbraw/zinc/21/73/56/1194217356.db2.gz NLVQURGCMYXNQB-ROUUACIJSA-N 2 0 394.560 0.984 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501651819 1194218558 /nfs/dbraw/zinc/21/85/58/1194218558.db2.gz YLEVNJDUKWASIQ-WMZOPIPTSA-N 2 0 394.560 0.840 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373868 1194225090 /nfs/dbraw/zinc/22/50/90/1194225090.db2.gz GYVLJCMXWBSWJC-RBUKOAKNSA-N 2 0 385.516 0.793 20 0 GCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420381339 1194225168 /nfs/dbraw/zinc/22/51/68/1194225168.db2.gz OUHQYBKZKKDITA-WXHSDQCUSA-N 2 0 380.411 0.981 20 0 GCADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000420387702 1194225678 /nfs/dbraw/zinc/22/56/78/1194225678.db2.gz WFRNOZDCMXVNST-KRWDZBQOSA-N 2 0 385.472 0.790 20 0 GCADRP C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420399513 1194226950 /nfs/dbraw/zinc/22/69/50/1194226950.db2.gz BSOJMSRHSAZKSQ-GFCCVEGCSA-N 2 0 378.429 0.280 20 0 GCADRP C[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420408556 1194229525 /nfs/dbraw/zinc/22/95/25/1194229525.db2.gz PMRTTYNVNLWUAA-GDBMZVCRSA-N 2 0 382.530 0.300 20 0 GCADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000420447188 1194229712 /nfs/dbraw/zinc/22/97/12/1194229712.db2.gz COPVSBRQFAYJIZ-UHFFFAOYSA-N 2 0 396.435 0.667 20 0 GCADRP CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc2O1 ZINC000420447895 1194229830 /nfs/dbraw/zinc/22/98/30/1194229830.db2.gz DBUAMRARIAAMFC-INIZCTEOSA-N 2 0 385.486 0.242 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420600705 1194246523 /nfs/dbraw/zinc/24/65/23/1194246523.db2.gz MLQSLLKEUJSKPQ-UHFFFAOYSA-N 2 0 381.565 0.463 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[NH+](C)C)c1 ZINC000420849905 1194268854 /nfs/dbraw/zinc/26/88/54/1194268854.db2.gz UWJURLZLLMMMIL-AEFFLSMTSA-N 2 0 376.501 0.967 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)N1CC[NH+](C)CC1 ZINC000421249661 1194317505 /nfs/dbraw/zinc/31/75/05/1194317505.db2.gz MLLFZNRAXALBOB-MSOLQXFVSA-N 2 0 381.565 0.316 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652726623 1194348387 /nfs/dbraw/zinc/34/83/87/1194348387.db2.gz DWNKDLQZRNROEB-OKZBNKHCSA-N 2 0 382.549 0.778 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000422098298 1194384005 /nfs/dbraw/zinc/38/40/05/1194384005.db2.gz BTYQFTBINZQBKT-IBGZPJMESA-N 2 0 394.560 0.890 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422089924 1194388257 /nfs/dbraw/zinc/38/82/57/1194388257.db2.gz UZXIWOYMYBXZTN-QZTJIDSGSA-N 2 0 381.565 0.317 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000422111719 1194392467 /nfs/dbraw/zinc/39/24/67/1194392467.db2.gz DKNAXDIXBZBHBW-LMMKCTJWSA-N 2 0 394.560 0.887 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000422114610 1194393337 /nfs/dbraw/zinc/39/33/37/1194393337.db2.gz JBFXGGSWUKKSER-QGZVFWFLSA-N 2 0 380.533 0.642 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC1 ZINC000422136089 1194397802 /nfs/dbraw/zinc/39/78/02/1194397802.db2.gz KQHWUNXSEJYWTF-CEXWTWQISA-N 2 0 393.576 0.556 20 0 GCADRP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](CO)O1 ZINC000422162824 1194400852 /nfs/dbraw/zinc/40/08/52/1194400852.db2.gz WCYAULFMXQPKIU-GOSISDBHSA-N 2 0 391.516 0.775 20 0 GCADRP COCC[NH+](C)CCNC(=O)c1cccc(C(=O)NCC[N@@H+](C)CCOC)c1 ZINC000271832091 1194416179 /nfs/dbraw/zinc/41/61/79/1194416179.db2.gz WYKRQBYTXIGSJV-UHFFFAOYSA-N 2 0 394.516 0.303 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c2)CC1 ZINC000272391249 1194456244 /nfs/dbraw/zinc/45/62/44/1194456244.db2.gz XYSDCIXBZLDIGN-ICSRJNTNSA-N 2 0 399.539 0.925 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000272719223 1194490768 /nfs/dbraw/zinc/49/07/68/1194490768.db2.gz BOPJQHSJTAQYEN-MOPGFXCFSA-N 2 0 375.517 0.298 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000272764475 1194498960 /nfs/dbraw/zinc/49/89/60/1194498960.db2.gz LGDTYPFJOYJHBV-RBUKOAKNSA-N 2 0 376.501 0.773 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccn2c(=O)[nH]nc12 ZINC000272851651 1194511078 /nfs/dbraw/zinc/51/10/78/1194511078.db2.gz SRVJLQVPQZHHMO-UHFFFAOYSA-N 2 0 381.440 0.360 20 0 GCADRP COc1ncncc1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000273014745 1194531194 /nfs/dbraw/zinc/53/11/94/1194531194.db2.gz ZPFXHMNZBUFOLW-UHFFFAOYSA-N 2 0 399.455 0.147 20 0 GCADRP Cn1nnc2cc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cnc21 ZINC000273359676 1194557838 /nfs/dbraw/zinc/55/78/38/1194557838.db2.gz ZUMVPKHLTKKIKA-UHFFFAOYSA-N 2 0 380.456 0.700 20 0 GCADRP CC1(Cn2cc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)nn2)COC1 ZINC000273454348 1194565055 /nfs/dbraw/zinc/56/50/55/1194565055.db2.gz AIDXJXPKXJNFOP-UHFFFAOYSA-N 2 0 399.499 0.652 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000422302747 1194609362 /nfs/dbraw/zinc/60/93/62/1194609362.db2.gz RWSZXRVHYODNSZ-INIZCTEOSA-N 2 0 382.530 0.475 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000422325501 1194614576 /nfs/dbraw/zinc/61/45/76/1194614576.db2.gz KEIAGIWOAMLBKO-KSZLIROESA-N 2 0 382.549 0.792 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000422325500 1194614820 /nfs/dbraw/zinc/61/48/20/1194614820.db2.gz KEIAGIWOAMLBKO-BZSNNMDCSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000414654825 1194622634 /nfs/dbraw/zinc/62/26/34/1194622634.db2.gz CPJWPKMTXNJGKP-KRWDZBQOSA-N 2 0 378.473 0.436 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422396446 1194635812 /nfs/dbraw/zinc/63/58/12/1194635812.db2.gz LDMAGVQFOFNJFQ-SFHVURJKSA-N 2 0 382.549 0.933 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC2)CCO1 ZINC000422470727 1194646847 /nfs/dbraw/zinc/64/68/47/1194646847.db2.gz HEWPLFCNXHUZDA-HNNXBMFYSA-N 2 0 385.468 0.662 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000422459626 1194649660 /nfs/dbraw/zinc/64/96/60/1194649660.db2.gz ZQBGYQZBQFZVMJ-KRWDZBQOSA-N 2 0 393.576 0.604 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000422491339 1194651381 /nfs/dbraw/zinc/65/13/81/1194651381.db2.gz NPTNXNBPJRLESU-MSOLQXFVSA-N 2 0 382.549 0.794 20 0 GCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000422497879 1194652548 /nfs/dbraw/zinc/65/25/48/1194652548.db2.gz WLJLGJBNOGBYKQ-ROUUACIJSA-N 2 0 380.533 0.405 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000422519032 1194659963 /nfs/dbraw/zinc/65/99/63/1194659963.db2.gz OXRNWQSTIICACX-RTBURBONSA-N 2 0 390.528 0.660 20 0 GCADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536756 1194664978 /nfs/dbraw/zinc/66/49/78/1194664978.db2.gz DMLBARRHXXMPRD-ZIFCJYIRSA-N 2 0 394.560 0.935 20 0 GCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000422544478 1194665472 /nfs/dbraw/zinc/66/54/72/1194665472.db2.gz QLBZNBJFCHWAOS-NUJGCVRESA-N 2 0 380.533 0.545 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422628469 1194678264 /nfs/dbraw/zinc/67/82/64/1194678264.db2.gz UMMHVPAJRBNVNK-ABHNRTSZSA-N 2 0 382.549 0.935 20 0 GCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422642515 1194681286 /nfs/dbraw/zinc/68/12/86/1194681286.db2.gz ZMIUTWBFIVGNEY-INMHGKMJSA-N 2 0 396.557 0.688 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC[NH2+]CC1 ZINC000422814501 1194702178 /nfs/dbraw/zinc/70/21/78/1194702178.db2.gz VDRFAYGOYBZBBA-CQSZACIVSA-N 2 0 383.514 0.788 20 0 GCADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414700355 1194705319 /nfs/dbraw/zinc/70/53/19/1194705319.db2.gz GFQATZOTDKJJEV-MRXNPFEDSA-N 2 0 382.530 0.402 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423121149 1194728754 /nfs/dbraw/zinc/72/87/54/1194728754.db2.gz IARCGORIUNXPGR-QILLFSRXSA-N 2 0 376.476 0.879 20 0 GCADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000414719647 1194733032 /nfs/dbraw/zinc/73/30/32/1194733032.db2.gz VXEQMPLUMNSRCJ-UHFFFAOYSA-N 2 0 385.512 0.511 20 0 GCADRP CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000423142715 1194733620 /nfs/dbraw/zinc/73/36/20/1194733620.db2.gz BINGFWFELKOCLZ-RBUKOAKNSA-N 2 0 388.512 0.686 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423161293 1194734344 /nfs/dbraw/zinc/73/43/44/1194734344.db2.gz IQJZZBXAMVCVOJ-RTBURBONSA-N 2 0 387.528 0.962 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423170109 1194735090 /nfs/dbraw/zinc/73/50/90/1194735090.db2.gz XNCWXESIXZCKQY-GOSISDBHSA-N 2 0 375.517 0.962 20 0 GCADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423175152 1194735410 /nfs/dbraw/zinc/73/54/10/1194735410.db2.gz DGEFRDLHFKMXPO-QGZVFWFLSA-N 2 0 396.557 0.653 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423170793 1194735632 /nfs/dbraw/zinc/73/56/32/1194735632.db2.gz YWMJBJQDTPLIGW-HXUWFJFHSA-N 2 0 376.476 0.928 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423205824 1194736585 /nfs/dbraw/zinc/73/65/85/1194736585.db2.gz PRSJXMXVUHEJRD-GDBMZVCRSA-N 2 0 394.466 0.923 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000423207893 1194736889 /nfs/dbraw/zinc/73/68/89/1194736889.db2.gz HJLNADAGVKQYOZ-QZTJIDSGSA-N 2 0 393.576 0.461 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423200297 1194738511 /nfs/dbraw/zinc/73/85/11/1194738511.db2.gz FJIBRJDLMBASNM-INIZCTEOSA-N 2 0 398.454 0.431 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423199942 1194738846 /nfs/dbraw/zinc/73/88/46/1194738846.db2.gz CYTKSHHGEILYGS-FUHWJXTLSA-N 2 0 376.476 0.926 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423201740 1194738891 /nfs/dbraw/zinc/73/88/91/1194738891.db2.gz JGHQZEFKLVIULG-HNNXBMFYSA-N 2 0 384.427 0.041 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423201741 1194739049 /nfs/dbraw/zinc/73/90/49/1194739049.db2.gz JGHQZEFKLVIULG-OAHLLOKOSA-N 2 0 384.427 0.041 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423203366 1194739395 /nfs/dbraw/zinc/73/93/95/1194739395.db2.gz CINVBHICYNDDCI-ZSYWTGECSA-N 2 0 393.576 0.589 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423204257 1194739440 /nfs/dbraw/zinc/73/94/40/1194739440.db2.gz DGSSDAWNBLKLAB-GOSISDBHSA-N 2 0 380.533 0.546 20 0 GCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423203790 1194739512 /nfs/dbraw/zinc/73/95/12/1194739512.db2.gz NMPSLEDLQLIFJF-GOSISDBHSA-N 2 0 376.501 0.543 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423203030 1194739514 /nfs/dbraw/zinc/73/95/14/1194739514.db2.gz BTAZLBYDLGVIAZ-MSOLQXFVSA-N 2 0 380.533 0.404 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423206542 1194739716 /nfs/dbraw/zinc/73/97/16/1194739716.db2.gz GBRBJWXFGAHDFY-MSOLQXFVSA-N 2 0 380.533 0.546 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423206545 1194739729 /nfs/dbraw/zinc/73/97/29/1194739729.db2.gz GBRBJWXFGAHDFY-ZWKOTPCHSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423214070 1194740327 /nfs/dbraw/zinc/74/03/27/1194740327.db2.gz OJNJXVSWAHAQLK-HLIPFELVSA-N 2 0 379.549 0.201 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214494 1194740492 /nfs/dbraw/zinc/74/04/92/1194740492.db2.gz OYZODHGHPISHRB-FGTMMUONSA-N 2 0 379.549 0.214 20 0 GCADRP CN(C(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000423215844 1194740642 /nfs/dbraw/zinc/74/06/42/1194740642.db2.gz OYRRTZZSJNIVEQ-UHFFFAOYSA-N 2 0 387.528 0.757 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423217714 1194740695 /nfs/dbraw/zinc/74/06/95/1194740695.db2.gz ULEQAAADBUUFEL-CALCHBBNSA-N 2 0 379.549 0.201 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000423220910 1194741041 /nfs/dbraw/zinc/74/10/41/1194741041.db2.gz YVFCCPGRHDKZTM-BZSNNMDCSA-N 2 0 393.576 0.589 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423218982 1194741213 /nfs/dbraw/zinc/74/12/13/1194741213.db2.gz SWFSPQVWWWBHBV-SFHVURJKSA-N 2 0 382.549 0.779 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)c1 ZINC000423261899 1194742620 /nfs/dbraw/zinc/74/26/20/1194742620.db2.gz TWQHNPYEZRZNMW-CABCVRRESA-N 2 0 375.473 0.182 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000423258758 1194744433 /nfs/dbraw/zinc/74/44/33/1194744433.db2.gz CGDVIJOCWXOWHR-LJQANCHMSA-N 2 0 387.528 0.083 20 0 GCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000423307991 1194746407 /nfs/dbraw/zinc/74/64/07/1194746407.db2.gz ILTDMIKJZVYSFG-UHFFFAOYSA-N 2 0 380.533 0.405 20 0 GCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C[C@@H]21 ZINC000423372422 1194750442 /nfs/dbraw/zinc/75/04/42/1194750442.db2.gz GHFJDEFCIHRCEI-VSZNYVQBSA-N 2 0 378.517 0.143 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423419330 1194754001 /nfs/dbraw/zinc/75/40/01/1194754001.db2.gz VUOPCUKYIBNIDR-KRWDZBQOSA-N 2 0 382.549 0.781 20 0 GCADRP Cc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000414741711 1194754650 /nfs/dbraw/zinc/75/46/50/1194754650.db2.gz HPMKCLYGNUAMCD-SFHVURJKSA-N 2 0 388.512 0.715 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423411492 1194755106 /nfs/dbraw/zinc/75/51/06/1194755106.db2.gz FSRWCGDUBFERFY-KRWDZBQOSA-N 2 0 393.536 0.481 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423443871 1194755759 /nfs/dbraw/zinc/75/57/59/1194755759.db2.gz KWKARJAKZALXAC-MOPGFXCFSA-N 2 0 394.560 0.651 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423442268 1194755774 /nfs/dbraw/zinc/75/57/74/1194755774.db2.gz JUJBEQPCNWNNAC-PKOBYXMFSA-N 2 0 394.560 0.923 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423443977 1194755883 /nfs/dbraw/zinc/75/58/83/1194755883.db2.gz LELFZPVKNDPGCH-MOPGFXCFSA-N 2 0 394.560 0.794 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCO1 ZINC000423465820 1194758238 /nfs/dbraw/zinc/75/82/38/1194758238.db2.gz CRBGTGSCCCYRGQ-CEXWTWQISA-N 2 0 386.496 0.153 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000423470586 1194758592 /nfs/dbraw/zinc/75/85/92/1194758592.db2.gz DBJPBHWKLZHONG-FQEVSTJZSA-N 2 0 376.501 0.783 20 0 GCADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423469801 1194758624 /nfs/dbraw/zinc/75/86/24/1194758624.db2.gz KPPBFLHBHACBDR-AWEZNQCLSA-N 2 0 396.454 0.685 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423497991 1194759652 /nfs/dbraw/zinc/75/96/52/1194759652.db2.gz AUWRMCGUFMPEKK-NJAFHUGGSA-N 2 0 379.549 0.342 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423497993 1194759720 /nfs/dbraw/zinc/75/97/20/1194759720.db2.gz AUWRMCGUFMPEKK-RYQLBKOJSA-N 2 0 379.549 0.342 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423497989 1194759783 /nfs/dbraw/zinc/75/97/83/1194759783.db2.gz AUWRMCGUFMPEKK-JQHSSLGASA-N 2 0 379.549 0.342 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)CC1 ZINC000423505733 1194760179 /nfs/dbraw/zinc/76/01/79/1194760179.db2.gz HPMPVNPBPFPISG-SFHVURJKSA-N 2 0 393.576 0.591 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423494843 1194760783 /nfs/dbraw/zinc/76/07/83/1194760783.db2.gz BCLRQBZLCUCPBG-XYJFISCASA-N 2 0 380.533 0.674 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423495089 1194760976 /nfs/dbraw/zinc/76/09/76/1194760976.db2.gz BPNWPBHLZIMUFB-JENIJYKNSA-N 2 0 394.560 0.935 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423528516 1194760981 /nfs/dbraw/zinc/76/09/81/1194760981.db2.gz NKDDLLNERRLJBB-MOPGFXCFSA-N 2 0 395.592 0.850 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423530893 1194761613 /nfs/dbraw/zinc/76/16/13/1194761613.db2.gz XOXFSSMGSNOIJE-SJORKVTESA-N 2 0 382.549 0.779 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423511507 1194761856 /nfs/dbraw/zinc/76/18/56/1194761856.db2.gz TYXUIKWRLNFSRM-NTDBWNAOSA-N 2 0 394.560 0.920 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423532592 1194761872 /nfs/dbraw/zinc/76/18/72/1194761872.db2.gz ZZYPIGQFBBGSDX-OAQYLSRUSA-N 2 0 394.560 0.938 20 0 GCADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423559407 1194763586 /nfs/dbraw/zinc/76/35/86/1194763586.db2.gz DTXABFXRXBZRAH-RTWAWAEBSA-N 2 0 388.512 0.279 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000423576050 1194769113 /nfs/dbraw/zinc/76/91/13/1194769113.db2.gz XGDJXIWFMHGGPA-FVJLSDCUSA-N 2 0 388.512 0.291 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423579296 1194770068 /nfs/dbraw/zinc/77/00/68/1194770068.db2.gz NWSVMKVISQKDGP-DOTOQJQBSA-N 2 0 390.532 0.472 20 0 GCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000423604334 1194772513 /nfs/dbraw/zinc/77/25/13/1194772513.db2.gz IBMUFLNMZHYIBS-SFHVURJKSA-N 2 0 387.528 0.083 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000423593855 1194774624 /nfs/dbraw/zinc/77/46/24/1194774624.db2.gz NADUFPHCKLRZLM-GOSISDBHSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000423595506 1194774911 /nfs/dbraw/zinc/77/49/11/1194774911.db2.gz PZCPHEZOMQTOMB-SFHVURJKSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000637814013 1194775129 /nfs/dbraw/zinc/77/51/29/1194775129.db2.gz UZHLMFHQUSISPP-YTQUADARSA-N 2 0 388.512 0.589 20 0 GCADRP [NH3+]C1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000423638307 1194776484 /nfs/dbraw/zinc/77/64/84/1194776484.db2.gz IMJKKSAZXZYXEU-HXUWFJFHSA-N 2 0 399.539 0.355 20 0 GCADRP [NH3+]C1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000423638306 1194776673 /nfs/dbraw/zinc/77/66/73/1194776673.db2.gz IMJKKSAZXZYXEU-FQEVSTJZSA-N 2 0 399.539 0.355 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423646976 1194777643 /nfs/dbraw/zinc/77/76/43/1194777643.db2.gz MNJMKFBVNLUTNG-JZXOWHBKSA-N 2 0 380.533 0.674 20 0 GCADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423619215 1194777655 /nfs/dbraw/zinc/77/76/55/1194777655.db2.gz IBLRNRZNHAUZQA-GOSISDBHSA-N 2 0 380.533 0.677 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423672756 1194779935 /nfs/dbraw/zinc/77/99/35/1194779935.db2.gz OMLKUWACOFVJSC-UHFFFAOYSA-N 2 0 390.528 0.669 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423658000 1194780403 /nfs/dbraw/zinc/78/04/03/1194780403.db2.gz DYTJWOPTYWSJOH-FUHWJXTLSA-N 2 0 379.549 0.214 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423659184 1194780617 /nfs/dbraw/zinc/78/06/17/1194780617.db2.gz YYDSWOAAMUODSJ-FUHWJXTLSA-N 2 0 382.549 0.779 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423663137 1194780901 /nfs/dbraw/zinc/78/09/01/1194780901.db2.gz OBRWHEZWLMEMMQ-LJQANCHMSA-N 2 0 394.560 0.938 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423666245 1194781870 /nfs/dbraw/zinc/78/18/70/1194781870.db2.gz ICIOOKNYCUSTCG-UHFFFAOYSA-N 2 0 390.528 0.933 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423648853 1194782899 /nfs/dbraw/zinc/78/28/99/1194782899.db2.gz JBZPITRSMWKALK-BRSBDYLESA-N 2 0 379.549 0.199 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)c1 ZINC000423685281 1194785691 /nfs/dbraw/zinc/78/56/91/1194785691.db2.gz RVXJNRPWTFUOHA-ZBFHGGJFSA-N 2 0 375.473 0.467 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423685835 1194785954 /nfs/dbraw/zinc/78/59/54/1194785954.db2.gz VJJJRAQQBIQHON-IRXDYDNUSA-N 2 0 395.548 0.165 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423685827 1194786102 /nfs/dbraw/zinc/78/61/02/1194786102.db2.gz VJJJRAQQBIQHON-DLBZAZTESA-N 2 0 395.548 0.165 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000423724049 1194789456 /nfs/dbraw/zinc/78/94/56/1194789456.db2.gz RGAHBHDTJXYIBI-KRWDZBQOSA-N 2 0 375.517 0.068 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@H]1C[NH3+] ZINC000423726759 1194789570 /nfs/dbraw/zinc/78/95/70/1194789570.db2.gz ISEPNZVIDUCRFL-AEFFLSMTSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727809 1194789918 /nfs/dbraw/zinc/78/99/18/1194789918.db2.gz KXYULZVLZCNIIB-ZSYWTGECSA-N 2 0 394.560 0.935 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000423704065 1194790541 /nfs/dbraw/zinc/79/05/41/1194790541.db2.gz LJPPNQAZWOCHLL-QGZVFWFLSA-N 2 0 393.576 0.604 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423732620 1194790560 /nfs/dbraw/zinc/79/05/60/1194790560.db2.gz MUFREOVQORTXLQ-SJLPKXTDSA-N 2 0 398.548 0.158 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423741930 1194790760 /nfs/dbraw/zinc/79/07/60/1194790760.db2.gz YROCYOJFJAQHAE-WTGUMLROSA-N 2 0 382.508 0.787 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423745194 1194791141 /nfs/dbraw/zinc/79/11/41/1194791141.db2.gz XCTCFLFBTLNBSB-FUHWJXTLSA-N 2 0 380.533 0.533 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423749264 1194791744 /nfs/dbraw/zinc/79/17/44/1194791744.db2.gz SHIOVNMATITAEP-SFHVURJKSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423737488 1194792716 /nfs/dbraw/zinc/79/27/16/1194792716.db2.gz GGZZRPLUOSZPPU-IEBWSBKVSA-N 2 0 387.528 0.068 20 0 GCADRP CC(C)N(CCCNC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)S(C)(=O)=O ZINC000424292124 1194807502 /nfs/dbraw/zinc/80/75/02/1194807502.db2.gz OCHIUOFQUVDAFY-INIZCTEOSA-N 2 0 388.578 0.627 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000424440596 1194811381 /nfs/dbraw/zinc/81/13/81/1194811381.db2.gz RAFMSCHGECMPTJ-GOSISDBHSA-N 2 0 375.517 0.780 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000424465401 1194813661 /nfs/dbraw/zinc/81/36/61/1194813661.db2.gz RSGMWFZVLUHZGW-KANFNMMFSA-N 2 0 392.548 0.993 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652730012 1194814480 /nfs/dbraw/zinc/81/44/80/1194814480.db2.gz DTIVSJQGPNYRBS-ZRSRNVLSSA-N 2 0 392.544 0.674 20 0 GCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000424479884 1194814561 /nfs/dbraw/zinc/81/45/61/1194814561.db2.gz PGVJSYZSJBBJDO-AWEZNQCLSA-N 2 0 395.470 0.575 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424491867 1194816606 /nfs/dbraw/zinc/81/66/06/1194816606.db2.gz GEMDBZITHICROS-DLBZAZTESA-N 2 0 394.560 0.528 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC([N@@H+]3CCO[C@@H](C)C3)CC1)CC[NH2+]CC2 ZINC000424494708 1194817185 /nfs/dbraw/zinc/81/71/85/1194817185.db2.gz OGAVYYASMCBPRK-SJORKVTESA-N 2 0 392.544 0.689 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC([N@@H+]3CCO[C@H](C)C3)CC1)CC[NH2+]CC2 ZINC000424494701 1194817256 /nfs/dbraw/zinc/81/72/56/1194817256.db2.gz OGAVYYASMCBPRK-DLBZAZTESA-N 2 0 392.544 0.689 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)CC[NH2+]CC2 ZINC000424495961 1194817713 /nfs/dbraw/zinc/81/77/13/1194817713.db2.gz RQTDIIKZGVYIRS-MRXNPFEDSA-N 2 0 380.533 0.546 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C[C@H]2[NH3+])cn1 ZINC000424508469 1194819295 /nfs/dbraw/zinc/81/92/95/1194819295.db2.gz OVDLBBMXPKBINH-JKSUJKDBSA-N 2 0 376.505 0.052 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414807186 1194828311 /nfs/dbraw/zinc/82/83/11/1194828311.db2.gz IPXYEVPIKKVFJF-HNNXBMFYSA-N 2 0 389.500 0.657 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514667621 1194893121 /nfs/dbraw/zinc/89/31/21/1194893121.db2.gz CGFLZPYHTYLASV-WCIQWLHISA-N 2 0 382.508 0.645 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000514719837 1194897444 /nfs/dbraw/zinc/89/74/44/1194897444.db2.gz BXKMQKCHFOPLDM-UHFFFAOYSA-N 2 0 387.484 0.941 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000514727015 1194900366 /nfs/dbraw/zinc/90/03/66/1194900366.db2.gz MOZCYXXFESQLEL-ZNMIVQPWSA-N 2 0 393.507 0.997 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000514727014 1194900478 /nfs/dbraw/zinc/90/04/78/1194900478.db2.gz MOZCYXXFESQLEL-SOUVJXGZSA-N 2 0 393.507 0.997 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000514753010 1194903949 /nfs/dbraw/zinc/90/39/49/1194903949.db2.gz UWYLXOLZEXLTFB-HDICACEKSA-N 2 0 398.548 0.221 20 0 GCADRP C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000653360231 1194932236 /nfs/dbraw/zinc/93/22/36/1194932236.db2.gz IQUZKHPDWPREEE-IRXDYDNUSA-N 2 0 382.549 0.935 20 0 GCADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000425380089 1194932458 /nfs/dbraw/zinc/93/24/58/1194932458.db2.gz DWRFHOOKVOZHDJ-UHFFFAOYSA-N 2 0 398.548 0.125 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425385816 1194936367 /nfs/dbraw/zinc/93/63/67/1194936367.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 2 0 379.549 0.023 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000515004963 1194936644 /nfs/dbraw/zinc/93/66/44/1194936644.db2.gz RRLNJCNJLYDXGQ-UHFFFAOYSA-N 2 0 375.517 0.624 20 0 GCADRP COc1cc(C[NH+]2CC[C@H](CO)[C@H](O)C2)cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988574 1194937399 /nfs/dbraw/zinc/93/73/99/1194937399.db2.gz BFUITVAIQWISEN-VURPSTOHSA-N 2 0 394.512 0.045 20 0 GCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000285161967 1194977032 /nfs/dbraw/zinc/97/70/32/1194977032.db2.gz ZNWPUYKYICLENK-SFHVURJKSA-N 2 0 390.553 0.931 20 0 GCADRP CS(=O)(=O)CCCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000425434856 1194977449 /nfs/dbraw/zinc/97/74/49/1194977449.db2.gz QMKYNBDKSRAJJO-UHFFFAOYSA-N 2 0 397.545 0.718 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000436144914 1194987613 /nfs/dbraw/zinc/98/76/13/1194987613.db2.gz RJTJEHIZEMEFCF-INIZCTEOSA-N 2 0 397.564 0.416 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000505774090 1194990655 /nfs/dbraw/zinc/99/06/55/1194990655.db2.gz VBVGJUSZBRSMKZ-MSOLQXFVSA-N 2 0 392.548 0.777 20 0 GCADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000436256427 1194993757 /nfs/dbraw/zinc/99/37/57/1194993757.db2.gz BNDTWGFGRWORGH-HZPDHXFCSA-N 2 0 383.537 0.060 20 0 GCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000436261527 1194994138 /nfs/dbraw/zinc/99/41/38/1194994138.db2.gz PCBLGQJBEVXXBM-JKSUJKDBSA-N 2 0 383.537 0.060 20 0 GCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCOC4(CC[NH+](C)CC4)C3)C2)CC1 ZINC000645295629 1194994154 /nfs/dbraw/zinc/99/41/54/1194994154.db2.gz YRUXUBOGOLILBI-QGZVFWFLSA-N 2 0 379.549 0.661 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000515908124 1195008375 /nfs/dbraw/zinc/00/83/75/1195008375.db2.gz YVLHXFOBTDWICA-OALUTQOASA-N 2 0 394.560 0.719 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc2)CC1 ZINC000516460179 1195054554 /nfs/dbraw/zinc/05/45/54/1195054554.db2.gz FTIJUPUXLBVRNQ-RTBURBONSA-N 2 0 397.527 0.749 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000516473500 1195056314 /nfs/dbraw/zinc/05/63/14/1195056314.db2.gz UGIWRZNCPWMMGC-UHFFFAOYSA-N 2 0 398.511 0.570 20 0 GCADRP COCCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000288362380 1195057286 /nfs/dbraw/zinc/05/72/86/1195057286.db2.gz ULICLTAYIKSLLL-IEBWSBKVSA-N 2 0 388.512 0.556 20 0 GCADRP Cc1ccc(NC(=O)CN(C)CCC[N@@H+](C)CCN(C)C)cc1S(N)(=O)=O ZINC000288782164 1195074271 /nfs/dbraw/zinc/07/42/71/1195074271.db2.gz BUPGVVMFOJXXJC-UHFFFAOYSA-N 2 0 399.561 0.396 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)C[C@H]2[NH3+])cn1 ZINC000516921930 1195112947 /nfs/dbraw/zinc/11/29/47/1195112947.db2.gz XFWZARDQWMEJSQ-RBUKOAKNSA-N 2 0 382.512 0.955 20 0 GCADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000549991859 1195115588 /nfs/dbraw/zinc/11/55/88/1195115588.db2.gz WKWVRPXWSKYSJC-LJQANCHMSA-N 2 0 388.512 0.604 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000516961013 1195117962 /nfs/dbraw/zinc/11/79/62/1195117962.db2.gz LOKMETHKEKTNEQ-UHFFFAOYSA-N 2 0 381.565 0.461 20 0 GCADRP COCC(C)(C)N1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000425864570 1195140766 /nfs/dbraw/zinc/14/07/66/1195140766.db2.gz BRVZBZYDGLWURE-UHFFFAOYSA-N 2 0 390.528 0.934 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000549994858 1195142859 /nfs/dbraw/zinc/14/28/59/1195142859.db2.gz RLIMYSCFVUKNCQ-JKSUJKDBSA-N 2 0 396.557 0.940 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000517203250 1195155206 /nfs/dbraw/zinc/15/52/06/1195155206.db2.gz NAVWPNNGFVCNHP-MRXNPFEDSA-N 2 0 378.517 0.324 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000517342809 1195172365 /nfs/dbraw/zinc/17/23/65/1195172365.db2.gz PKGXWRBXULIHNQ-UHFFFAOYSA-N 2 0 380.533 0.546 20 0 GCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517405161 1195179532 /nfs/dbraw/zinc/17/95/32/1195179532.db2.gz CAZMNMGNTADXIT-KRWDZBQOSA-N 2 0 381.521 0.080 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000664672823 1195183245 /nfs/dbraw/zinc/18/32/45/1195183245.db2.gz DIKOAAZXPXEKKU-MRXNPFEDSA-N 2 0 376.505 0.621 20 0 GCADRP COc1ccc(S(=O)(=O)N2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)cc1 ZINC000517712894 1195211367 /nfs/dbraw/zinc/21/13/67/1195211367.db2.gz OGNLRCHIRIANRO-UHFFFAOYSA-N 2 0 382.530 0.343 20 0 GCADRP CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4nnnn4CC3)CC2)CC1 ZINC000518215161 1195268085 /nfs/dbraw/zinc/26/80/85/1195268085.db2.gz NRQMONHMSVUMAQ-MRXNPFEDSA-N 2 0 375.521 0.691 20 0 GCADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000518261494 1195272889 /nfs/dbraw/zinc/27/28/89/1195272889.db2.gz MMRKMLVQZZIDFW-CEXWTWQISA-N 2 0 395.592 0.850 20 0 GCADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000414976081 1195276955 /nfs/dbraw/zinc/27/69/55/1195276955.db2.gz NJKRUDXHGYNIJP-KRWDZBQOSA-N 2 0 387.484 0.110 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000439209400 1195294683 /nfs/dbraw/zinc/29/46/83/1195294683.db2.gz JTIOOFFSNAKQKE-QGZVFWFLSA-N 2 0 391.516 0.507 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000518496482 1195297498 /nfs/dbraw/zinc/29/74/98/1195297498.db2.gz IRRJZXNEVTXVAM-KRWDZBQOSA-N 2 0 379.549 0.960 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1O ZINC000664750027 1195316450 /nfs/dbraw/zinc/31/64/50/1195316450.db2.gz QARJFRZQJBLMAR-FHWLQOOXSA-N 2 0 376.501 0.594 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000297421619 1195337897 /nfs/dbraw/zinc/33/78/97/1195337897.db2.gz ZBAMWMMRAHELIT-SFHVURJKSA-N 2 0 390.532 0.479 20 0 GCADRP O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000518947277 1195350959 /nfs/dbraw/zinc/35/09/59/1195350959.db2.gz WUJMDHOZSNFKGQ-HNNXBMFYSA-N 2 0 381.498 0.764 20 0 GCADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000519017538 1195360325 /nfs/dbraw/zinc/36/03/25/1195360325.db2.gz AYPXXJMNUWKRPO-QGZVFWFLSA-N 2 0 392.544 0.690 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000439969095 1195370425 /nfs/dbraw/zinc/37/04/25/1195370425.db2.gz HGWODBOTZCFSQV-QGZVFWFLSA-N 2 0 376.505 0.906 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426571260 1195384858 /nfs/dbraw/zinc/38/48/58/1195384858.db2.gz TYHVDKCEVVVILN-QRVBRYPASA-N 2 0 382.549 0.756 20 0 GCADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000415009882 1195394878 /nfs/dbraw/zinc/39/48/78/1195394878.db2.gz ONEQUVYOKVDIJQ-OALUTQOASA-N 2 0 382.464 0.835 20 0 GCADRP CCn1c(=O)c2ccccc2n(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1=O ZINC000729436286 1195397901 /nfs/dbraw/zinc/39/79/01/1195397901.db2.gz PRSSFPDWLBDMTF-UHFFFAOYSA-N 2 0 389.500 0.135 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000729436093 1195398101 /nfs/dbraw/zinc/39/81/01/1195398101.db2.gz NJJDYDPKTNXDJK-UHFFFAOYSA-N 2 0 375.517 0.886 20 0 GCADRP C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000440266091 1195398378 /nfs/dbraw/zinc/39/83/78/1195398378.db2.gz CNKARBDFWKZCQM-CYBMUJFWSA-N 2 0 389.456 0.257 20 0 GCADRP CON(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000729436679 1195416253 /nfs/dbraw/zinc/41/62/53/1195416253.db2.gz YTJUQEIEFMTCTP-UHFFFAOYSA-N 2 0 386.518 0.434 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000550096652 1195434174 /nfs/dbraw/zinc/43/41/74/1195434174.db2.gz KWYOCXNHSOYVLL-MOPGFXCFSA-N 2 0 394.560 0.936 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000550096142 1195435265 /nfs/dbraw/zinc/43/52/65/1195435265.db2.gz VCDWZOFZLYGICB-SJORKVTESA-N 2 0 377.489 0.347 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095286 1195435806 /nfs/dbraw/zinc/43/58/06/1195435806.db2.gz GCTAMXYCZXPQGI-ZWKOTPCHSA-N 2 0 382.549 0.650 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000550133705 1195445549 /nfs/dbraw/zinc/44/55/49/1195445549.db2.gz TZZLKTXGZHRQLS-UHFFFAOYSA-N 2 0 382.549 0.936 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000550136839 1195446728 /nfs/dbraw/zinc/44/67/28/1195446728.db2.gz REFDKOYWAHEGBN-UHFFFAOYSA-N 2 0 382.549 0.530 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000550178299 1195454295 /nfs/dbraw/zinc/45/42/95/1195454295.db2.gz DLODJIPRQOLZFM-KURKYZTESA-N 2 0 379.549 0.071 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000102049788 1195468450 /nfs/dbraw/zinc/46/84/50/1195468450.db2.gz JRIOSNPRXNVSJI-GOSISDBHSA-N 2 0 396.580 0.254 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)n2)CC1 ZINC000427231977 1195517383 /nfs/dbraw/zinc/51/73/83/1195517383.db2.gz OFODYCUTGASOHA-UHFFFAOYSA-N 2 0 388.516 1.175 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)n2)CC1 ZINC000427258683 1195521207 /nfs/dbraw/zinc/52/12/07/1195521207.db2.gz UIWHWICNZDLSMC-KRWDZBQOSA-N 2 0 388.516 1.175 20 0 GCADRP Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cn1 ZINC000519615592 1195543542 /nfs/dbraw/zinc/54/35/42/1195543542.db2.gz QVGWHMHCQYYYER-ANULTFPQSA-N 2 0 397.523 0.769 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427544928 1195549173 /nfs/dbraw/zinc/54/91/73/1195549173.db2.gz DKXNIJZFFYJRMM-RDJZCZTQSA-N 2 0 390.532 1.420 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000550296633 1195552502 /nfs/dbraw/zinc/55/25/02/1195552502.db2.gz FQDUFCIEJHUXJN-UHFFFAOYSA-N 2 0 394.560 0.794 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550299790 1195553394 /nfs/dbraw/zinc/55/33/94/1195553394.db2.gz PEXVKHDMFPMAGG-IRXDYDNUSA-N 2 0 382.549 0.839 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427549857 1195555700 /nfs/dbraw/zinc/55/57/00/1195555700.db2.gz MUOKOPKBETUZOJ-MRXNPFEDSA-N 2 0 390.532 1.182 20 0 GCADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000550307439 1195557320 /nfs/dbraw/zinc/55/73/20/1195557320.db2.gz SIBUNIZABASWAC-UHFFFAOYSA-N 2 0 382.549 0.795 20 0 GCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000519666865 1195562958 /nfs/dbraw/zinc/56/29/58/1195562958.db2.gz UXFKXXISEXLGGG-CALCHBBNSA-N 2 0 382.549 0.792 20 0 GCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000894886636 1195582225 /nfs/dbraw/zinc/58/22/25/1195582225.db2.gz WIMYKNQTINAYCJ-UHFFFAOYSA-N 2 0 379.505 0.668 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440987069 1195596411 /nfs/dbraw/zinc/59/64/11/1195596411.db2.gz VZWPQXNQNLFKGR-SFHVURJKSA-N 2 0 382.597 0.585 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000520285073 1195616217 /nfs/dbraw/zinc/61/62/17/1195616217.db2.gz KSRJDWLWDJOTJF-QFBILLFUSA-N 2 0 392.544 0.689 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(=O)NC2C[NH2+]C2)ccc1Cl ZINC000520370395 1195625217 /nfs/dbraw/zinc/62/52/17/1195625217.db2.gz JDOACKXNKMBCKQ-UHFFFAOYSA-N 2 0 395.891 0.438 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC000550350997 1195640211 /nfs/dbraw/zinc/64/02/11/1195640211.db2.gz ZMISMLTURKZXSQ-KRWDZBQOSA-N 2 0 382.549 0.933 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000550372659 1195646321 /nfs/dbraw/zinc/64/63/21/1195646321.db2.gz VIDPPWQPSIGFFK-UHFFFAOYSA-N 2 0 376.501 0.796 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)N1CC[NH+](C)CC1 ZINC000550380840 1195648588 /nfs/dbraw/zinc/64/85/88/1195648588.db2.gz BCISTMWMUYWCLI-MOPGFXCFSA-N 2 0 395.592 0.611 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000550383557 1195651634 /nfs/dbraw/zinc/65/16/34/1195651634.db2.gz MIVOLAJOZNYYEU-MOPGFXCFSA-N 2 0 393.576 0.461 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000550383411 1195651695 /nfs/dbraw/zinc/65/16/95/1195651695.db2.gz JBVYBVAZVBJIGM-SFHVURJKSA-N 2 0 381.565 0.319 20 0 GCADRP CC(C)(O)C[NH+]1CCN(c2cc(N3CC[NH+](CC(C)(C)O)CC3)ncn2)CC1 ZINC000123479952 1195652322 /nfs/dbraw/zinc/65/23/22/1195652322.db2.gz CHEDJDBQDTZWQD-UHFFFAOYSA-N 2 0 392.548 0.262 20 0 GCADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978451 1195658417 /nfs/dbraw/zinc/65/84/17/1195658417.db2.gz SEZXLXCRJUJNHK-ZWKOTPCHSA-N 2 0 388.512 0.879 20 0 GCADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000441433832 1195685957 /nfs/dbraw/zinc/68/59/57/1195685957.db2.gz JEWDKKYPGJVAKF-IRXDYDNUSA-N 2 0 392.548 1.400 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188945986 1195741458 /nfs/dbraw/zinc/74/14/58/1195741458.db2.gz NMBKWBQJPBIQHP-QZTJIDSGSA-N 2 0 383.581 0.747 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000550423973 1195796868 /nfs/dbraw/zinc/79/68/68/1195796868.db2.gz ZKYKEWYCWGSXQT-UHFFFAOYSA-N 2 0 391.491 0.918 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000474008108 1195827475 /nfs/dbraw/zinc/82/74/75/1195827475.db2.gz JYPATNUBRUFEFX-KRWDZBQOSA-N 2 0 397.564 0.464 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771814 1195852493 /nfs/dbraw/zinc/85/24/93/1195852493.db2.gz BSONHHSLKYSYML-RBUKOAKNSA-N 2 0 385.512 0.821 20 0 GCADRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CCC[N@@H+]1C1CC1 ZINC000665216427 1195853540 /nfs/dbraw/zinc/85/35/40/1195853540.db2.gz BMJPCYVJEYDNFJ-UDTPNQRGSA-N 2 0 390.532 0.652 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000474020904 1195874094 /nfs/dbraw/zinc/87/40/94/1195874094.db2.gz LRUHQIDQGQWAPY-SFHVURJKSA-N 2 0 383.581 0.795 20 0 GCADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)O2)CCC[NH+]1C ZINC000427898324 1195890698 /nfs/dbraw/zinc/89/06/98/1195890698.db2.gz AIFALPJLVKMJNA-PTZATXGZSA-N 2 0 380.533 0.732 20 0 GCADRP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000508223855 1195909785 /nfs/dbraw/zinc/90/97/85/1195909785.db2.gz HXONDBOXUKIFNM-GOSISDBHSA-N 2 0 380.533 0.549 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)CC[N@@H+]1C ZINC001075809061 1195928456 /nfs/dbraw/zinc/92/84/56/1195928456.db2.gz QFDXRFAZSYWCRP-YALNPMBYSA-N 2 0 384.484 0.396 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000442167147 1195959346 /nfs/dbraw/zinc/95/93/46/1195959346.db2.gz XSQCHJABIWOGPX-VQIMIIECSA-N 2 0 387.528 0.971 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000550455605 1195965312 /nfs/dbraw/zinc/96/53/12/1195965312.db2.gz ASXGPYGAANSZHI-RCCFBDPRSA-N 2 0 380.533 0.402 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550455718 1195965936 /nfs/dbraw/zinc/96/59/36/1195965936.db2.gz CFQKZGANIGAMBG-QZTJIDSGSA-N 2 0 382.549 0.554 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000521233331 1195981020 /nfs/dbraw/zinc/98/10/20/1195981020.db2.gz FVBAYFLFUOSQRH-SFHVURJKSA-N 2 0 382.549 0.936 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000550458976 1195986588 /nfs/dbraw/zinc/98/65/88/1195986588.db2.gz UOGMGEKMASBELS-SJLPKXTDSA-N 2 0 380.533 0.593 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000550458804 1195988467 /nfs/dbraw/zinc/98/84/67/1195988467.db2.gz RWVXBEJNKNTCKZ-ROUUACIJSA-N 2 0 382.549 0.840 20 0 GCADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000521414123 1195995248 /nfs/dbraw/zinc/99/52/48/1195995248.db2.gz VLKPPSAEOXRNTQ-HOTGVXAUSA-N 2 0 380.533 0.450 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000442620675 1195997014 /nfs/dbraw/zinc/99/70/14/1195997014.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 2 0 382.597 0.680 20 0 GCADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000443061733 1196017522 /nfs/dbraw/zinc/01/75/22/1196017522.db2.gz SLWNJUMFZJGCJF-SFHVURJKSA-N 2 0 388.512 0.836 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443059353 1196018430 /nfs/dbraw/zinc/01/84/30/1196018430.db2.gz MNNJHJIAZWEVJH-OAHLLOKOSA-N 2 0 386.504 0.073 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)CC[N@@H+]1C ZINC001075813558 1196048242 /nfs/dbraw/zinc/04/82/42/1196048242.db2.gz MFLJYKRCGLNEKS-MWDXBVQZSA-N 2 0 376.501 0.398 20 0 GCADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC001087577741 1196049240 /nfs/dbraw/zinc/04/92/40/1196049240.db2.gz GXDJJJMXGRCMCA-WCXIOVBPSA-N 2 0 386.562 0.331 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550479372 1196051394 /nfs/dbraw/zinc/05/13/94/1196051394.db2.gz IGKWEQGBDCBUON-QGZVFWFLSA-N 2 0 395.592 0.755 20 0 GCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000550481820 1196053699 /nfs/dbraw/zinc/05/36/99/1196053699.db2.gz KMKUUHNCWCGIHD-INIZCTEOSA-N 2 0 376.501 0.796 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550481631 1196054301 /nfs/dbraw/zinc/05/43/01/1196054301.db2.gz UKHZNMLSXUHHMR-LJQANCHMSA-N 2 0 395.592 0.755 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000550495709 1196056835 /nfs/dbraw/zinc/05/68/35/1196056835.db2.gz YXZCWKZLHOEGEH-KRWDZBQOSA-N 2 0 380.533 0.596 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550519391 1196072182 /nfs/dbraw/zinc/07/21/82/1196072182.db2.gz NPXUBIWGRVYADP-WMZOPIPTSA-N 2 0 381.565 0.460 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000550518768 1196073047 /nfs/dbraw/zinc/07/30/47/1196073047.db2.gz IQEYWLDINNVQBQ-SJLPKXTDSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000550521849 1196074286 /nfs/dbraw/zinc/07/42/86/1196074286.db2.gz UKWMHSNZOXBOQW-QGZVFWFLSA-N 2 0 381.565 0.365 20 0 GCADRP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895297301 1196079249 /nfs/dbraw/zinc/07/92/49/1196079249.db2.gz CDWPQQJZAXHAGA-MSOLQXFVSA-N 2 0 396.532 0.108 20 0 GCADRP C[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)(N2CCOCC2)CC1 ZINC000895333954 1196083295 /nfs/dbraw/zinc/08/32/95/1196083295.db2.gz MJPBEJOLPWSGFM-ZWKOTPCHSA-N 2 0 379.549 0.661 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000550581447 1196092720 /nfs/dbraw/zinc/09/27/20/1196092720.db2.gz IIMKDBQSUAFRIQ-IYBDPMFKSA-N 2 0 386.537 0.027 20 0 GCADRP O=C1[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)CCN1c1ccccc1F ZINC000114501911 1196101405 /nfs/dbraw/zinc/10/14/05/1196101405.db2.gz FVXRIGDDIPLMBX-SFHVURJKSA-N 2 0 378.492 0.911 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000114603000 1196105945 /nfs/dbraw/zinc/10/59/45/1196105945.db2.gz DUKCZBJJTXIUNT-GOSISDBHSA-N 2 0 381.565 0.693 20 0 GCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000114595989 1196106418 /nfs/dbraw/zinc/10/64/18/1196106418.db2.gz MOJNORXRVMXHKD-IBGZPJMESA-N 2 0 383.581 0.796 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@H+]1CC=CCC1 ZINC000474333688 1196110131 /nfs/dbraw/zinc/11/01/31/1196110131.db2.gz CVJNFYQDMJWDML-UHFFFAOYSA-N 2 0 387.532 0.940 20 0 GCADRP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)nc(N3CCOCC3)n2)CC[NH+]1C ZINC000895737475 1196110904 /nfs/dbraw/zinc/11/09/04/1196110904.db2.gz WDOLNDKJBKZWRD-KLHDSHLOSA-N 2 0 390.536 0.717 20 0 GCADRP COc1cc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)ccc1OCC[NH+](C)C ZINC000895920556 1196118319 /nfs/dbraw/zinc/11/83/19/1196118319.db2.gz LKQHCAHHJRJXBZ-QGZVFWFLSA-N 2 0 377.485 0.973 20 0 GCADRP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896532509 1196153664 /nfs/dbraw/zinc/15/36/64/1196153664.db2.gz LRBYLTZFIDFGFS-KDOFPFPSSA-N 2 0 388.516 0.668 20 0 GCADRP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)CC(O)CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000329187389 1196173619 /nfs/dbraw/zinc/17/36/19/1196173619.db2.gz GUKAHCHOYJMMFR-BRSBDYLESA-N 2 0 392.544 0.518 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@@H](C)C1 ZINC000665460579 1196183915 /nfs/dbraw/zinc/18/39/15/1196183915.db2.gz OSOQZUFPEATFMO-IRXDYDNUSA-N 2 0 382.549 0.974 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000330298962 1196267125 /nfs/dbraw/zinc/26/71/25/1196267125.db2.gz LYYHRCSWWNJIBA-QZTJIDSGSA-N 2 0 380.533 0.642 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000330298960 1196267160 /nfs/dbraw/zinc/26/71/60/1196267160.db2.gz LYYHRCSWWNJIBA-MSOLQXFVSA-N 2 0 380.533 0.642 20 0 GCADRP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC)[nH]n1 ZINC000665529947 1196304799 /nfs/dbraw/zinc/30/47/99/1196304799.db2.gz YPNLZZJUIBGYAL-GASCZTMLSA-N 2 0 376.505 0.838 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1(C)C ZINC000281754329 1196328970 /nfs/dbraw/zinc/32/89/70/1196328970.db2.gz KWXPJOMAXYYFDC-UHFFFAOYSA-N 2 0 388.560 0.736 20 0 GCADRP Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1-c1cc2c(nn1)C[NH2+]C2 ZINC001168051044 1196350433 /nfs/dbraw/zinc/35/04/33/1196350433.db2.gz LQATVMFXSHXOPA-UHFFFAOYSA-N 2 0 389.423 0.659 20 0 GCADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1(C)C ZINC000444175074 1196357199 /nfs/dbraw/zinc/35/71/99/1196357199.db2.gz YXRRFDKATVDATP-LAUBAEHRSA-N 2 0 394.560 0.922 20 0 GCADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088111988 1196364578 /nfs/dbraw/zinc/36/45/78/1196364578.db2.gz GYVHXOZPEQMORH-YYIAUSFCSA-N 2 0 386.500 0.329 20 0 GCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1(C)C ZINC000444272349 1196369993 /nfs/dbraw/zinc/36/99/93/1196369993.db2.gz VXHOMAUTMGYCJJ-KDOFPFPSSA-N 2 0 380.493 0.032 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000103211379 1196374850 /nfs/dbraw/zinc/37/48/50/1196374850.db2.gz KPOKPZOKLOSNJX-UHFFFAOYSA-N 2 0 396.557 0.964 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000523005271 1196387033 /nfs/dbraw/zinc/38/70/33/1196387033.db2.gz NFDABLIBWMGLFN-UHFFFAOYSA-N 2 0 396.580 0.210 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000102050891 1196490959 /nfs/dbraw/zinc/49/09/59/1196490959.db2.gz XOBYARYQPKZCNP-SFHVURJKSA-N 2 0 388.516 0.856 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367146991 1196494618 /nfs/dbraw/zinc/49/46/18/1196494618.db2.gz DPYQJCCPUBFOIM-NRFANRHFSA-N 2 0 385.556 0.700 20 0 GCADRP CC[NH+]1CCC(NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000523659355 1196543420 /nfs/dbraw/zinc/54/34/20/1196543420.db2.gz FSCYGRIQJIHIFT-UHFFFAOYSA-N 2 0 388.516 0.904 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000523914647 1196567120 /nfs/dbraw/zinc/56/71/20/1196567120.db2.gz JZGVLPZWJMYFHS-KURKYZTESA-N 2 0 397.564 0.728 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000524905220 1196636261 /nfs/dbraw/zinc/63/62/61/1196636261.db2.gz AXZXOMZMMCDYPG-UHFFFAOYSA-N 2 0 383.581 0.892 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000446365046 1196638003 /nfs/dbraw/zinc/63/80/03/1196638003.db2.gz YQNBNRNPYNQKLK-UIVXKWKOSA-N 2 0 380.533 0.578 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000524925293 1196640163 /nfs/dbraw/zinc/64/01/63/1196640163.db2.gz UHXYNGXWDFAMLY-LJQANCHMSA-N 2 0 389.544 0.731 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000446683972 1196658399 /nfs/dbraw/zinc/65/83/99/1196658399.db2.gz VEDKOZBFRNFGJY-UHFFFAOYSA-N 2 0 397.564 0.635 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512950 1196687520 /nfs/dbraw/zinc/68/75/20/1196687520.db2.gz RJQOGTVIIIGFRC-AZUAARDMSA-N 2 0 375.517 0.168 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1 ZINC000429714702 1196692831 /nfs/dbraw/zinc/69/28/31/1196692831.db2.gz HCGKZHPMNBBYSD-RCCFBDPRSA-N 2 0 396.557 0.856 20 0 GCADRP CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525882689 1196720543 /nfs/dbraw/zinc/72/05/43/1196720543.db2.gz XGFKDGFSSNMTFE-UHFFFAOYSA-N 2 0 397.907 0.590 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000525882654 1196720847 /nfs/dbraw/zinc/72/08/47/1196720847.db2.gz LPINFUITVCOBAG-UHFFFAOYSA-N 2 0 389.500 0.925 20 0 GCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000447602251 1196734101 /nfs/dbraw/zinc/73/41/01/1196734101.db2.gz TWHXBVUQTKMGEL-INIZCTEOSA-N 2 0 385.530 0.936 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000527124405 1196767198 /nfs/dbraw/zinc/76/71/98/1196767198.db2.gz UOBJXRGJXQZORN-UHFFFAOYSA-N 2 0 390.488 0.107 20 0 GCADRP CCNC(=O)Nc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527124378 1196767515 /nfs/dbraw/zinc/76/75/15/1196767515.db2.gz ZRFOJLRMRPAQFG-UHFFFAOYSA-N 2 0 392.504 0.718 20 0 GCADRP C[C@H]1Oc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2NC1=O ZINC000527374312 1196784354 /nfs/dbraw/zinc/78/43/54/1196784354.db2.gz SOWUKXQDSGTXIK-CYBMUJFWSA-N 2 0 391.472 0.296 20 0 GCADRP CC(C)OC(C)(C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000448923621 1196840134 /nfs/dbraw/zinc/84/01/34/1196840134.db2.gz VKIDGVSSNUEFOW-UHFFFAOYSA-N 2 0 382.549 0.887 20 0 GCADRP Cc1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nnn1-c1cnn(C)c1 ZINC000448967504 1196842446 /nfs/dbraw/zinc/84/24/46/1196842446.db2.gz CSJUMRRMEBTYCE-UHFFFAOYSA-N 2 0 376.509 0.655 20 0 GCADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528603986 1196870893 /nfs/dbraw/zinc/87/08/93/1196870893.db2.gz NGNNLTVQAPCBRL-WDSOQIARSA-N 2 0 375.513 0.688 20 0 GCADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000671071942 1196891596 /nfs/dbraw/zinc/89/15/96/1196891596.db2.gz WLVITBLRYLZSGD-LPHOPBHVSA-N 2 0 376.526 0.843 20 0 GCADRP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000529304277 1196915059 /nfs/dbraw/zinc/91/50/59/1196915059.db2.gz PIRZVJCPVVGBPR-GOEBONIOSA-N 2 0 379.480 0.926 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000529382688 1196918966 /nfs/dbraw/zinc/91/89/66/1196918966.db2.gz VCBHSWXGEYALKC-IBGZPJMESA-N 2 0 375.517 0.434 20 0 GCADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000529387807 1196919435 /nfs/dbraw/zinc/91/94/35/1196919435.db2.gz MJVOCNZEEUSPOT-INIZCTEOSA-N 2 0 376.505 0.754 20 0 GCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530376293 1196983625 /nfs/dbraw/zinc/98/36/25/1196983625.db2.gz YZGLUDQPUMLMIO-UHFFFAOYSA-N 3 0 388.582 0.175 20 0 GCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000671104425 1196992781 /nfs/dbraw/zinc/99/27/81/1196992781.db2.gz OGMXWMQULLJGSN-ROUUACIJSA-N 2 0 392.544 0.833 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CC1=O ZINC000530572108 1196997041 /nfs/dbraw/zinc/99/70/41/1196997041.db2.gz IMEALGLKZMUMJZ-SFHVURJKSA-N 2 0 387.528 0.783 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000530629973 1197000581 /nfs/dbraw/zinc/00/05/81/1197000581.db2.gz ANEXCESYVMLCJU-AQNXPRMDSA-N 2 0 389.544 0.414 20 0 GCADRP CSc1nc2nc(C)c(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)n2n1 ZINC000530641530 1197002738 /nfs/dbraw/zinc/00/27/38/1197002738.db2.gz ZAFKFUORKCWRED-UHFFFAOYSA-N 2 0 393.561 0.957 20 0 GCADRP COc1ccc(CN2C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cc1 ZINC000530880589 1197023015 /nfs/dbraw/zinc/02/30/15/1197023015.db2.gz PHWBFHIEONVEEG-GOSISDBHSA-N 2 0 390.528 0.996 20 0 GCADRP COc1ccc(CN2C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)cc1 ZINC000530880590 1197023029 /nfs/dbraw/zinc/02/30/29/1197023029.db2.gz PHWBFHIEONVEEG-SFHVURJKSA-N 2 0 390.528 0.996 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)CC1=O ZINC000452385571 1197055323 /nfs/dbraw/zinc/05/53/23/1197055323.db2.gz UYAXURXXMJEQHC-KZNAEPCWSA-N 2 0 380.533 0.282 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)CC1=O ZINC000452385569 1197055660 /nfs/dbraw/zinc/05/56/60/1197055660.db2.gz UYAXURXXMJEQHC-FGTMMUONSA-N 2 0 380.533 0.282 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000531584719 1197085680 /nfs/dbraw/zinc/08/56/80/1197085680.db2.gz GZIMEUROZXTGCL-RBUKOAKNSA-N 2 0 380.581 0.432 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000531772534 1197096592 /nfs/dbraw/zinc/09/65/92/1197096592.db2.gz GWDPPTPRMHCTRK-IBGZPJMESA-N 2 0 375.473 0.307 20 0 GCADRP CNc1nc(NC[C@H]2CC[NH+](C(C)C)C2)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000531823577 1197099708 /nfs/dbraw/zinc/09/97/08/1197099708.db2.gz MYICSLJEJVDJBY-IAGOWNOFSA-N 2 0 390.580 0.463 20 0 GCADRP CCNS(=O)(=O)c1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000531933966 1197104537 /nfs/dbraw/zinc/10/45/37/1197104537.db2.gz JNJYZYVCHVPASI-UHFFFAOYSA-N 2 0 399.561 0.620 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000532264897 1197132252 /nfs/dbraw/zinc/13/22/52/1197132252.db2.gz FFMKCTDTZPCBEQ-NZSAHSFTSA-N 2 0 381.565 0.547 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000532264898 1197132469 /nfs/dbraw/zinc/13/24/69/1197132469.db2.gz FFMKCTDTZPCBEQ-QRQLOZEOSA-N 2 0 381.565 0.547 20 0 GCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000453812691 1197134513 /nfs/dbraw/zinc/13/45/13/1197134513.db2.gz XIOXPPKKEBMFTG-SFHVURJKSA-N 2 0 376.501 0.692 20 0 GCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000453802061 1197137552 /nfs/dbraw/zinc/13/75/52/1197137552.db2.gz BDRDTUGEYJLTQC-KRWDZBQOSA-N 2 0 376.501 0.958 20 0 GCADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453804522 1197138454 /nfs/dbraw/zinc/13/84/54/1197138454.db2.gz HZMQGTDLMGLCGR-GOSISDBHSA-N 2 0 376.501 0.692 20 0 GCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532334099 1197145509 /nfs/dbraw/zinc/14/55/09/1197145509.db2.gz WBZXZXYZFXCNPS-KNCCTNLNSA-N 2 0 378.517 0.201 20 0 GCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000428511630 1197152541 /nfs/dbraw/zinc/15/25/41/1197152541.db2.gz SUTVBLXIQJXMEV-ROUUACIJSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000173913851 1197178370 /nfs/dbraw/zinc/17/83/70/1197178370.db2.gz YIGODJSZIJUOPU-UHFFFAOYSA-N 2 0 386.504 0.913 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)CC1 ZINC000176048443 1197186372 /nfs/dbraw/zinc/18/63/72/1197186372.db2.gz IOROEGINPQSTCT-SFHVURJKSA-N 2 0 393.576 0.909 20 0 GCADRP O=C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC000177043913 1197188052 /nfs/dbraw/zinc/18/80/52/1197188052.db2.gz LGJAILYTZJPRON-UHFFFAOYSA-N 2 0 380.411 0.809 20 0 GCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000177512096 1197190525 /nfs/dbraw/zinc/19/05/25/1197190525.db2.gz ZGOVDHMOKTZWRK-QZTJIDSGSA-N 2 0 394.560 0.888 20 0 GCADRP C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418349121 1197192901 /nfs/dbraw/zinc/19/29/01/1197192901.db2.gz RTGQIFJWYMTNPL-WDSOQIARSA-N 2 0 389.544 0.963 20 0 GCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000180083231 1197200108 /nfs/dbraw/zinc/20/01/08/1197200108.db2.gz NTGUVGNFRHHWMW-QGZVFWFLSA-N 2 0 386.500 0.951 20 0 GCADRP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCC(=O)N1CC[NH2+]CC1 ZINC000508645064 1197236730 /nfs/dbraw/zinc/23/67/30/1197236730.db2.gz JPJDIXXGLBFCCB-UHFFFAOYSA-N 2 0 383.514 0.613 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000105115383 1197246502 /nfs/dbraw/zinc/24/65/02/1197246502.db2.gz DJFNVUCQFULJLG-UHFFFAOYSA-N 2 0 378.521 0.553 20 0 GCADRP CC1C[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000192501250 1197246718 /nfs/dbraw/zinc/24/67/18/1197246718.db2.gz JOPIERUYLFKIBG-ROMHJBHXSA-N 2 0 388.556 0.689 20 0 GCADRP CC1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000192501231 1197247029 /nfs/dbraw/zinc/24/70/29/1197247029.db2.gz JOPIERUYLFKIBG-WMDIELAYSA-N 2 0 388.556 0.689 20 0 GCADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000666283605 1197257553 /nfs/dbraw/zinc/25/75/53/1197257553.db2.gz VKZSZQMAEISAIH-UHFFFAOYSA-N 2 0 393.536 0.942 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000123501160 1197282897 /nfs/dbraw/zinc/28/28/97/1197282897.db2.gz ZGHWQMDJNMMJHX-UHFFFAOYSA-N 2 0 375.517 0.829 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729610175 1197308450 /nfs/dbraw/zinc/30/84/50/1197308450.db2.gz DODWOKQGHXQQBE-IKGGRYGDSA-N 2 0 381.521 0.092 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC3CC[NH+](CCCOC)CC3)C2)CC1 ZINC000106557281 1197327193 /nfs/dbraw/zinc/32/71/93/1197327193.db2.gz NCJOWXQOAGZXDN-IBGZPJMESA-N 2 0 381.565 0.909 20 0 GCADRP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532568200 1197329787 /nfs/dbraw/zinc/32/97/87/1197329787.db2.gz NNXZKZGLTRDGHO-MJGOQNOKSA-N 2 0 394.560 0.887 20 0 GCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000897463512 1197338631 /nfs/dbraw/zinc/33/86/31/1197338631.db2.gz FODKQQWUPPFUDC-UHFFFAOYSA-N 2 0 380.533 0.692 20 0 GCADRP COc1ccc2c(c1)C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C2 ZINC001168242520 1197340721 /nfs/dbraw/zinc/34/07/21/1197340721.db2.gz CFSCUOFZTFHAMC-LJQANCHMSA-N 2 0 382.501 0.777 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729620307 1197355182 /nfs/dbraw/zinc/35/51/82/1197355182.db2.gz QCJNDSNEJCDZCB-RTBURBONSA-N 2 0 380.533 0.994 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000418869770 1197385684 /nfs/dbraw/zinc/38/56/84/1197385684.db2.gz XJHDCRHIMMHYBT-GOSISDBHSA-N 2 0 376.501 0.872 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[NH+]2CCN(C)CC2)CC1=O ZINC000105318860 1197392009 /nfs/dbraw/zinc/39/20/09/1197392009.db2.gz GSRIJXPTUIEFLP-RTBURBONSA-N 2 0 393.576 0.463 20 0 GCADRP O=C1C[C@@]2(CN1)CCC[NH+](CCOCC[N@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000532717387 1197396691 /nfs/dbraw/zinc/39/66/91/1197396691.db2.gz XOLUXKXMUFYPOV-BGYRXZFFSA-N 2 0 378.517 0.207 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000245419404 1197403401 /nfs/dbraw/zinc/40/34/01/1197403401.db2.gz LTTJHGRXCMCNAA-HKUYNNGSSA-N 2 0 392.544 0.642 20 0 GCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418942873 1197405042 /nfs/dbraw/zinc/40/50/42/1197405042.db2.gz BESHLBFYYYJARK-SFHVURJKSA-N 2 0 388.512 0.893 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000418947699 1197405593 /nfs/dbraw/zinc/40/55/93/1197405593.db2.gz BHJZWWRRWXFWIC-UHFFFAOYSA-N 2 0 391.516 0.486 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419125862 1197410829 /nfs/dbraw/zinc/41/08/29/1197410829.db2.gz UVSHXVYRTAHEFP-NVXWUHKLSA-N 2 0 391.520 0.281 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419125861 1197411010 /nfs/dbraw/zinc/41/10/10/1197411010.db2.gz UVSHXVYRTAHEFP-DOTOQJQBSA-N 2 0 391.520 0.281 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419121003 1197411139 /nfs/dbraw/zinc/41/11/39/1197411139.db2.gz MACLVUHSQYJVRR-IAGOWNOFSA-N 2 0 395.548 0.213 20 0 GCADRP CO[C@H]1COCC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454430559 1197413305 /nfs/dbraw/zinc/41/33/05/1197413305.db2.gz SGFKCNQXSUCAPN-MJGOQNOKSA-N 2 0 391.516 0.944 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000419761152 1197427293 /nfs/dbraw/zinc/42/72/93/1197427293.db2.gz PCXPRWBKXAMKPH-SJORKVTESA-N 2 0 380.464 0.338 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)CC1=O ZINC000245756688 1197430108 /nfs/dbraw/zinc/43/01/08/1197430108.db2.gz YMTAZPMVCNMMPW-OTWHNJEPSA-N 2 0 394.560 0.672 20 0 GCADRP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000454995374 1197441528 /nfs/dbraw/zinc/44/15/28/1197441528.db2.gz DCFOUNOOSGJOLW-UHFFFAOYSA-N 2 0 386.537 0.478 20 0 GCADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000533571963 1197459173 /nfs/dbraw/zinc/45/91/73/1197459173.db2.gz HKWFDVTZVUEGAW-UYAOXDASSA-N 2 0 377.533 0.587 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1=O ZINC000246351699 1197465495 /nfs/dbraw/zinc/46/54/95/1197465495.db2.gz DDQFQRZUYMXZJO-IPMKNSEASA-N 2 0 394.560 0.792 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246415820 1197469422 /nfs/dbraw/zinc/46/94/22/1197469422.db2.gz LOBWZXRCBBPEDI-IPMKNSEASA-N 2 0 393.576 0.319 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000246449117 1197470497 /nfs/dbraw/zinc/47/04/97/1197470497.db2.gz LRHCSBRNNZHAFA-GBESFXJTSA-N 2 0 392.544 0.500 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000246478920 1197471381 /nfs/dbraw/zinc/47/13/81/1197471381.db2.gz RIXJFZBYJPEXRH-PKOBYXMFSA-N 2 0 394.560 0.936 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC1=O ZINC000074367250 1197472045 /nfs/dbraw/zinc/47/20/45/1197472045.db2.gz MTTSGPZOPYQUPS-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767927 1197514145 /nfs/dbraw/zinc/51/41/45/1197514145.db2.gz GJFKVCWXCMSTNQ-BZSNNMDCSA-N 2 0 379.549 0.119 20 0 GCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767930 1197514345 /nfs/dbraw/zinc/51/43/45/1197514345.db2.gz GJFKVCWXCMSTNQ-RCCFBDPRSA-N 2 0 379.549 0.119 20 0 GCADRP O=C(NC[C@@H]1CCCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261884601 1197517617 /nfs/dbraw/zinc/51/76/17/1197517617.db2.gz PRUJTZRTPLBWPV-MELADBBJSA-N 2 0 376.423 0.730 20 0 GCADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000261918002 1197519124 /nfs/dbraw/zinc/51/91/24/1197519124.db2.gz USRUJAAXRLGGNX-ZACQAIPSSA-N 2 0 388.516 0.496 20 0 GCADRP O=C(CC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000261969359 1197520925 /nfs/dbraw/zinc/52/09/25/1197520925.db2.gz BFLRVPOGYDBBAX-UHFFFAOYSA-N 2 0 398.504 0.390 20 0 GCADRP O=C(CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000262014558 1197522597 /nfs/dbraw/zinc/52/25/97/1197522597.db2.gz FRZKNJHANDFXLP-MRXNPFEDSA-N 2 0 398.504 0.390 20 0 GCADRP COC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000262378933 1197531469 /nfs/dbraw/zinc/53/14/69/1197531469.db2.gz XNNPXQXJDMFBLJ-GOSISDBHSA-N 2 0 376.501 0.447 20 0 GCADRP CCC(CC)[C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000428615238 1197554662 /nfs/dbraw/zinc/55/46/62/1197554662.db2.gz XZJGNKDSLMFLFA-RBUKOAKNSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000533817471 1197569055 /nfs/dbraw/zinc/56/90/55/1197569055.db2.gz UKSOQVKAUDIATE-DTDBQYNISA-N 2 0 394.585 0.917 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000672004462 1198998394 /nfs/dbraw/zinc/99/83/94/1198998394.db2.gz SLQIZCNAGADLHS-UHFFFAOYSA-N 2 0 382.549 0.795 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC[NH+](C)CC1 ZINC000672008610 1199000566 /nfs/dbraw/zinc/00/05/66/1199000566.db2.gz AUCHQISLHDDNKJ-FUHWJXTLSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000672008687 1199000765 /nfs/dbraw/zinc/00/07/65/1199000765.db2.gz BXLHMLNCUMNRET-INIZCTEOSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000672010336 1199004335 /nfs/dbraw/zinc/00/43/35/1199004335.db2.gz NJBMEYAYBZHBNB-PKOBYXMFSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013161 1199006756 /nfs/dbraw/zinc/00/67/56/1199006756.db2.gz YYUZMWAQZNARQX-HZPDHXFCSA-N 2 0 382.549 0.384 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000542748743 1199023015 /nfs/dbraw/zinc/02/30/15/1199023015.db2.gz PYIOLVCDVLPHNP-SFHVURJKSA-N 2 0 380.581 0.291 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)CC1 ZINC000108617404 1199061239 /nfs/dbraw/zinc/06/12/39/1199061239.db2.gz LOGVEQLEODDBOY-FQEVSTJZSA-N 2 0 399.539 0.973 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000465852694 1199088050 /nfs/dbraw/zinc/08/80/50/1199088050.db2.gz XICHUZFVTXIJJK-QZTJIDSGSA-N 2 0 397.564 0.681 20 0 GCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672098392 1199089277 /nfs/dbraw/zinc/08/92/77/1199089277.db2.gz SGOOLYQTQIGUNU-GOSISDBHSA-N 2 0 395.592 0.850 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000656104314 1199106376 /nfs/dbraw/zinc/10/63/76/1199106376.db2.gz NJQWUXDBEHNKNU-MRXNPFEDSA-N 2 0 391.520 0.233 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111575 1199109280 /nfs/dbraw/zinc/10/92/80/1199109280.db2.gz BOZADHBBGAZZFB-IAGOWNOFSA-N 2 0 395.548 0.034 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000465866159 1199141688 /nfs/dbraw/zinc/14/16/88/1199141688.db2.gz JJVDIFZGDAEQDA-QGZVFWFLSA-N 2 0 396.580 0.112 20 0 GCADRP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1CCOC ZINC000672304131 1199197722 /nfs/dbraw/zinc/19/77/22/1199197722.db2.gz IRNIIYXTCSGAJJ-MSOLQXFVSA-N 2 0 380.533 0.546 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000672311218 1199202063 /nfs/dbraw/zinc/20/20/63/1199202063.db2.gz BALXTPFAOIKMOU-UHOSZYNNSA-N 2 0 394.560 0.840 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000672308958 1199203954 /nfs/dbraw/zinc/20/39/54/1199203954.db2.gz GWKGEZIUVMRBFW-MSOLQXFVSA-N 2 0 378.517 0.158 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672311566 1199204808 /nfs/dbraw/zinc/20/48/08/1199204808.db2.gz JDGFXQXDHXRFQK-MSOLQXFVSA-N 2 0 380.533 0.546 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@H]2C1 ZINC000672313432 1199205113 /nfs/dbraw/zinc/20/51/13/1199205113.db2.gz BLBUMUIGBODMKI-SJORKVTESA-N 2 0 378.517 0.300 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949027 1199216477 /nfs/dbraw/zinc/21/64/77/1199216477.db2.gz MMTBYZIKMJUUKH-IRXDYDNUSA-N 2 0 383.537 0.326 20 0 GCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794746 1199218336 /nfs/dbraw/zinc/21/83/36/1199218336.db2.gz AOBBEGZEHYLYLC-VQIMIIECSA-N 2 0 395.507 0.918 20 0 GCADRP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000465957399 1199226513 /nfs/dbraw/zinc/22/65/13/1199226513.db2.gz QBBSQWMYAHMWAB-ROUUACIJSA-N 2 0 396.580 0.145 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672593334 1199275759 /nfs/dbraw/zinc/27/57/59/1199275759.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 2 0 379.549 0.212 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000672597051 1199277364 /nfs/dbraw/zinc/27/73/64/1199277364.db2.gz FHKZGIJWIKYPMS-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638394 1199289456 /nfs/dbraw/zinc/28/94/56/1199289456.db2.gz GOBFMRUIUUBESA-HKUYNNGSSA-N 2 0 391.560 0.358 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638512 1199289785 /nfs/dbraw/zinc/28/97/85/1199289785.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 2 0 393.576 0.365 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672639077 1199294688 /nfs/dbraw/zinc/29/46/88/1199294688.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 2 0 379.549 0.119 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640245 1199295578 /nfs/dbraw/zinc/29/55/78/1199295578.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 2 0 379.549 0.071 20 0 GCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640247 1199296501 /nfs/dbraw/zinc/29/65/01/1199296501.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 2 0 379.549 0.071 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641402 1199297586 /nfs/dbraw/zinc/29/75/86/1199297586.db2.gz QVAHPHFBEOFLQM-SFHVURJKSA-N 2 0 393.576 0.606 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641013 1199297703 /nfs/dbraw/zinc/29/77/03/1199297703.db2.gz JUPMTSRJVFNUKW-CVEARBPZSA-N 2 0 381.565 0.364 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642269 1199300838 /nfs/dbraw/zinc/30/08/38/1199300838.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672643185 1199302142 /nfs/dbraw/zinc/30/21/42/1199302142.db2.gz TVLJSAYPRLROJP-QGZVFWFLSA-N 2 0 393.576 0.509 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643213 1199303327 /nfs/dbraw/zinc/30/33/27/1199303327.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 2 0 393.576 0.602 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCC1 ZINC000672643184 1199303735 /nfs/dbraw/zinc/30/37/35/1199303735.db2.gz TVLJSAYPRLROJP-KRWDZBQOSA-N 2 0 393.576 0.509 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303743 /nfs/dbraw/zinc/30/37/43/1199303743.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 2 0 393.576 0.602 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C2)CC1 ZINC000672641890 1199304478 /nfs/dbraw/zinc/30/44/78/1199304478.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 2 0 391.560 0.404 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000672696162 1199315914 /nfs/dbraw/zinc/31/59/14/1199315914.db2.gz UBTZMZIRGURHQN-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672690096 1199316853 /nfs/dbraw/zinc/31/68/53/1199316853.db2.gz NIRRTICCWWMXHF-SJORKVTESA-N 2 0 380.533 0.594 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000672697909 1199318430 /nfs/dbraw/zinc/31/84/30/1199318430.db2.gz CMDCPORUWMILQN-DLBZAZTESA-N 2 0 380.533 0.689 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC[C@@H]21 ZINC000673014778 1199394265 /nfs/dbraw/zinc/39/42/65/1199394265.db2.gz XMEOERWNPKVOJY-SCTDSRPQSA-N 2 0 392.544 0.546 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673014259 1199394506 /nfs/dbraw/zinc/39/45/06/1199394506.db2.gz GEQCUWFBKKHIGL-SJLPKXTDSA-N 2 0 380.533 0.593 20 0 GCADRP C(=C\C[N@H+]1CC[C@H](CN2CCOCC2)C1)\C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000255594380 1199397524 /nfs/dbraw/zinc/39/75/24/1199397524.db2.gz MDIQYDHKULHURM-AUSJAXNVSA-N 2 0 392.588 0.851 20 0 GCADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000673150269 1199454754 /nfs/dbraw/zinc/45/47/54/1199454754.db2.gz ZSFVPQCYXYSSCZ-AWEZNQCLSA-N 2 0 375.473 0.079 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000466138135 1199490135 /nfs/dbraw/zinc/49/01/35/1199490135.db2.gz HEOYJEQRYPYVPJ-RTBURBONSA-N 2 0 383.581 0.652 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000466138130 1199490215 /nfs/dbraw/zinc/49/02/15/1199490215.db2.gz HEOYJEQRYPYVPJ-MOPGFXCFSA-N 2 0 383.581 0.652 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000673307733 1199533005 /nfs/dbraw/zinc/53/30/05/1199533005.db2.gz OJIPFISOGXJTEN-KURKYZTESA-N 2 0 382.549 0.983 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000673325588 1199540334 /nfs/dbraw/zinc/54/03/34/1199540334.db2.gz BCMWPGXYEGIWJX-IEBWSBKVSA-N 2 0 390.528 0.802 20 0 GCADRP C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000673351138 1199566086 /nfs/dbraw/zinc/56/60/86/1199566086.db2.gz XXZPALYGUUCCNK-KRWDZBQOSA-N 2 0 376.501 0.414 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000673351255 1199566164 /nfs/dbraw/zinc/56/61/64/1199566164.db2.gz ADZCSACRRJIJII-GOSISDBHSA-N 2 0 390.528 0.804 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000673351596 1199566923 /nfs/dbraw/zinc/56/69/23/1199566923.db2.gz KUMLOTCWLUWXFF-SFHVURJKSA-N 2 0 376.501 0.414 20 0 GCADRP Cc1cncn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cncn3C1)C2 ZINC001003661898 1199618603 /nfs/dbraw/zinc/61/86/03/1199618603.db2.gz JBQMOMVLHQBDFS-IDCNUPLLSA-N 2 0 382.468 0.899 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000673582466 1199827506 /nfs/dbraw/zinc/82/75/06/1199827506.db2.gz FXJWPWCUNHJEHE-KRWDZBQOSA-N 2 0 391.516 0.627 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000673585318 1199828674 /nfs/dbraw/zinc/82/86/74/1199828674.db2.gz ZUZWOZQVUCFHCJ-BHIYHBOVSA-N 2 0 392.544 0.425 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583539 1199829351 /nfs/dbraw/zinc/82/93/51/1199829351.db2.gz AJAJAUINNYGVAF-KBAYOESNSA-N 2 0 380.533 0.471 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583048 1199829459 /nfs/dbraw/zinc/82/94/59/1199829459.db2.gz MQEGIBIGIFLKJA-KSZLIROESA-N 2 0 378.517 0.081 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584250 1199830311 /nfs/dbraw/zinc/83/03/11/1199830311.db2.gz ICTMWJSFCLFHME-QZTJIDSGSA-N 2 0 380.533 0.423 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000673672323 1199926714 /nfs/dbraw/zinc/92/67/14/1199926714.db2.gz CBZWHJJNFKODRG-IRLDBZIGSA-N 2 0 386.540 0.862 20 0 GCADRP Cc1c(C(=O)NCC2(O)CC[NH+](C)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000673842352 1199960426 /nfs/dbraw/zinc/96/04/26/1199960426.db2.gz BDIKJIVWDVITJW-UHFFFAOYSA-N 2 0 398.511 0.750 20 0 GCADRP CNC(=O)N[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000466588250 1200081964 /nfs/dbraw/zinc/08/19/64/1200081964.db2.gz VENVAGONOBPOEU-MRXNPFEDSA-N 2 0 389.504 0.307 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000265912451 1200090364 /nfs/dbraw/zinc/09/03/64/1200090364.db2.gz FEBZZAOBLNRZGJ-UHFFFAOYSA-N 3 0 390.532 0.350 20 0 GCADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000674320189 1200223564 /nfs/dbraw/zinc/22/35/64/1200223564.db2.gz DTGIWTDWGMRHID-UHFFFAOYSA-N 2 0 392.500 0.793 20 0 GCADRP Cn1c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc(=O)n(C)c1=O ZINC000172651243 1200288786 /nfs/dbraw/zinc/28/87/86/1200288786.db2.gz FLDBMKOZZIIFAK-UHFFFAOYSA-N 2 0 393.532 0.000 20 0 GCADRP CSCC[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804084120 1200491187 /nfs/dbraw/zinc/49/11/87/1200491187.db2.gz MUMYPHIETDVPEQ-MRXNPFEDSA-N 2 0 393.557 0.968 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000676168884 1200504728 /nfs/dbraw/zinc/50/47/28/1200504728.db2.gz RLTHJKZSNPLUBY-FYQPLNBISA-N 2 0 394.560 0.995 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC[NH+](Cc2ccccc2)CC1 ZINC000419178150 1200506965 /nfs/dbraw/zinc/50/69/65/1200506965.db2.gz SVVUFCWQTODPFA-KURKYZTESA-N 2 0 386.496 0.532 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000477063634 1200810881 /nfs/dbraw/zinc/81/08/81/1200810881.db2.gz IXNZFERRPRZPQF-SZMVWBNQSA-N 2 0 382.549 0.717 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000477084203 1200820464 /nfs/dbraw/zinc/82/04/64/1200820464.db2.gz QWBURIUMSWNAJZ-MRXNPFEDSA-N 2 0 390.532 0.296 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000477087297 1200820541 /nfs/dbraw/zinc/82/05/41/1200820541.db2.gz WDASYSSPJHTYDI-GBESFXJTSA-N 2 0 395.592 0.850 20 0 GCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000373264564 1200885551 /nfs/dbraw/zinc/88/55/51/1200885551.db2.gz QALCFTCLOVZFNS-INIZCTEOSA-N 2 0 390.532 1.279 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC)nc1 ZINC000415124110 1200898546 /nfs/dbraw/zinc/89/85/46/1200898546.db2.gz NUONLYDTLSIDPI-MRXNPFEDSA-N 2 0 376.505 0.936 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376079541 1200901503 /nfs/dbraw/zinc/90/15/03/1200901503.db2.gz HLRKZSGPWRHMRR-KRWDZBQOSA-N 2 0 391.564 1.545 20 0 GCADRP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923283317 1200924875 /nfs/dbraw/zinc/92/48/75/1200924875.db2.gz UVCFPMIPBDNREX-ZWKOTPCHSA-N 2 0 391.512 0.969 20 0 GCADRP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923283314 1200924987 /nfs/dbraw/zinc/92/49/87/1200924987.db2.gz UVCFPMIPBDNREX-QZTJIDSGSA-N 2 0 391.512 0.969 20 0 GCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000923489110 1201043417 /nfs/dbraw/zinc/04/34/17/1201043417.db2.gz OEAFJOKOGWXPSL-OAHLLOKOSA-N 2 0 398.504 0.329 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000923588260 1201168060 /nfs/dbraw/zinc/16/80/60/1201168060.db2.gz IPVPGUQIINFNLI-HOTGVXAUSA-N 2 0 382.530 0.535 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000136815545 1201188196 /nfs/dbraw/zinc/18/81/96/1201188196.db2.gz XWEQUXAPVXYJII-FQEVSTJZSA-N 2 0 399.539 0.993 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCNC(=O)C(F)(F)F)[C@@H]2C)CC[N@@H+]1C ZINC001691676365 1201252690 /nfs/dbraw/zinc/25/26/90/1201252690.db2.gz QJWHQHYPSBDUST-SYQHCUMBSA-N 2 0 378.439 0.974 20 0 GCADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000495365196 1201301818 /nfs/dbraw/zinc/30/18/18/1201301818.db2.gz ZUQCIXBLGLBREW-HZPDHXFCSA-N 2 0 383.537 0.026 20 0 GCADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCO1 ZINC000172984152 1201363579 /nfs/dbraw/zinc/36/35/79/1201363579.db2.gz JXWXDPQAEFOFCZ-MRXNPFEDSA-N 2 0 382.549 0.650 20 0 GCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000497513469 1201404039 /nfs/dbraw/zinc/40/40/39/1201404039.db2.gz ZPXIMOHDWURISN-JAVUXZIZSA-N 2 0 380.577 0.699 20 0 GCADRP Cc1noc(CCC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447264 1201412059 /nfs/dbraw/zinc/41/20/59/1201412059.db2.gz GMZZDZDTQKJJOS-MWQQHZPXSA-N 2 0 377.489 0.562 20 0 GCADRP C[NH+](C)CCNC(=S)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950513 1201468582 /nfs/dbraw/zinc/46/85/82/1201468582.db2.gz PLAPWQMAIHKYBM-QGZVFWFLSA-N 2 0 377.558 0.910 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000730939424 1201468733 /nfs/dbraw/zinc/46/87/33/1201468733.db2.gz GRYIJKYBKMPQJO-UHFFFAOYSA-N 2 0 382.530 0.266 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCN4C(=O)CNC4=O)[C@H]3C2)CC[N@@H+]1C ZINC001084943935 1201503057 /nfs/dbraw/zinc/50/30/57/1201503057.db2.gz IQIYGGGHDDJVFD-VQHPVUNQSA-N 2 0 391.516 0.191 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734267647 1201648740 /nfs/dbraw/zinc/64/87/40/1201648740.db2.gz NEBSAWSRLLHNQP-LJQANCHMSA-N 2 0 381.565 0.955 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735588762 1201693936 /nfs/dbraw/zinc/69/39/36/1201693936.db2.gz CKWXUGUKEQSPRR-JKSUJKDBSA-N 2 0 390.484 0.675 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735588752 1201693972 /nfs/dbraw/zinc/69/39/72/1201693972.db2.gz CKWXUGUKEQSPRR-HOTGVXAUSA-N 2 0 390.484 0.675 20 0 GCADRP Cc1nccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000743944603 1201828626 /nfs/dbraw/zinc/82/86/26/1201828626.db2.gz KKCFBMSFCSLUJZ-INIZCTEOSA-N 2 0 398.467 0.695 20 0 GCADRP C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000923602717 1201844336 /nfs/dbraw/zinc/84/43/36/1201844336.db2.gz DYSLZZXVFCNNEB-AWEZNQCLSA-N 2 0 385.509 0.378 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000923603650 1201897556 /nfs/dbraw/zinc/89/75/56/1201897556.db2.gz OPCXILNYKQTYSN-SFHVURJKSA-N 2 0 385.530 0.815 20 0 GCADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000746247049 1201904682 /nfs/dbraw/zinc/90/46/82/1201904682.db2.gz JPWRUIFLEDOBNZ-INIZCTEOSA-N 2 0 376.501 1.000 20 0 GCADRP CCC[C@@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC[N@@H+]1CCOC ZINC000766377362 1201920983 /nfs/dbraw/zinc/92/09/83/1201920983.db2.gz AETHUIXVOBLXOW-MRXNPFEDSA-N 2 0 381.521 0.393 20 0 GCADRP [NH3+][C@H]1CCc2nn(-c3ccc(S(=O)(=O)NC4CC[NH2+]CC4)cc3)cc2C1 ZINC001168817340 1201926810 /nfs/dbraw/zinc/92/68/10/1201926810.db2.gz JVVCTTZUUDHPIH-AWEZNQCLSA-N 2 0 375.498 0.719 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1-n1nc(CC[NH3+])nc1C ZINC001168986394 1201930142 /nfs/dbraw/zinc/93/01/42/1201930142.db2.gz ZQJWEUBRURSYMV-AWEZNQCLSA-N 2 0 390.488 0.578 20 0 GCADRP CN(C)C(=O)CN1C[C@H]2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@H]2S1(=O)=O ZINC001169141230 1201933036 /nfs/dbraw/zinc/93/30/36/1201933036.db2.gz WADZZDIFBRMSHT-DFBDCSAJSA-N 2 0 398.573 0.426 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCCC[NH+](C)C ZINC001169160351 1201933691 /nfs/dbraw/zinc/93/36/91/1201933691.db2.gz CXSNADBQDFNYMF-OAHLLOKOSA-N 2 0 378.521 0.924 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001169161861 1201933973 /nfs/dbraw/zinc/93/39/73/1201933973.db2.gz HNOGDZDLJCLTAH-SOUVJXGZSA-N 2 0 376.505 0.852 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001169161860 1201934143 /nfs/dbraw/zinc/93/41/43/1201934143.db2.gz HNOGDZDLJCLTAH-QLFBSQMISA-N 2 0 376.505 0.852 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001169170675 1201936847 /nfs/dbraw/zinc/93/68/47/1201936847.db2.gz ZXLSWYCLFCHRMP-HOTGVXAUSA-N 2 0 390.532 0.924 20 0 GCADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])CO1 ZINC001169318886 1201942039 /nfs/dbraw/zinc/94/20/39/1201942039.db2.gz FVVJXTJSTXGAEM-DLBZAZTESA-N 2 0 376.494 0.475 20 0 GCADRP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398618 1201946151 /nfs/dbraw/zinc/94/61/51/1201946151.db2.gz SALNCVGGOFBVAA-XMTFNYHQSA-N 2 0 397.516 0.208 20 0 GCADRP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001169472460 1201949658 /nfs/dbraw/zinc/94/96/58/1201949658.db2.gz QXFHXWWMIHHNDW-RCCFBDPRSA-N 2 0 382.549 0.744 20 0 GCADRP C[C@H]1C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000767612677 1201979331 /nfs/dbraw/zinc/97/93/31/1201979331.db2.gz QUIPDUUIBDOUPD-LPHOPBHVSA-N 2 0 380.558 0.834 20 0 GCADRP Cc1nccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(N)=O ZINC001109846500 1202134328 /nfs/dbraw/zinc/13/43/28/1202134328.db2.gz MRHKRUZNFNZQNO-RZFFKMDDSA-N 2 0 376.461 0.277 20 0 GCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCC(F)(F)F ZINC001109932176 1202152609 /nfs/dbraw/zinc/15/26/09/1202152609.db2.gz DOGXOGFZCNTPDO-KBXIAJHMSA-N 2 0 381.439 0.990 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000787633476 1205396055 /nfs/dbraw/zinc/39/60/55/1205396055.db2.gz BHJUUMNFEJEVSU-RCCFBDPRSA-N 2 0 392.475 0.524 20 0 GCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787910568 1205407013 /nfs/dbraw/zinc/40/70/13/1205407013.db2.gz ONZYQTSVHOUDJC-SQNIBIBYSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000787901135 1205409083 /nfs/dbraw/zinc/40/90/83/1205409083.db2.gz AINCGAXVCIHBPX-KURKYZTESA-N 2 0 380.533 0.737 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCSC1 ZINC000788252814 1205417476 /nfs/dbraw/zinc/41/74/76/1205417476.db2.gz QFVJPCZKCPINBU-VQIMIIECSA-N 2 0 398.573 0.300 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792165111 1205484498 /nfs/dbraw/zinc/48/44/98/1205484498.db2.gz IPOTVJOLJCYBGY-MRXNPFEDSA-N 2 0 383.537 0.291 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792165109 1205484579 /nfs/dbraw/zinc/48/45/79/1205484579.db2.gz IPOTVJOLJCYBGY-INIZCTEOSA-N 2 0 383.537 0.291 20 0 GCADRP Cc1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])[n+]([O-])c1 ZINC001170391097 1205491330 /nfs/dbraw/zinc/49/13/30/1205491330.db2.gz LBTYPWGFTYCAAQ-QAGGRKNESA-N 2 0 396.532 0.902 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(F)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388898 1205491335 /nfs/dbraw/zinc/49/13/35/1205491335.db2.gz AAUNENPPUZFQOL-YLVYSCNESA-N 2 0 385.484 0.889 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cncc(N)c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170391551 1205491378 /nfs/dbraw/zinc/49/13/78/1205491378.db2.gz MPZMCWRTYPILNF-IXJQEDDXSA-N 2 0 381.521 0.937 20 0 GCADRP COc1ncncc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392772 1205491574 /nfs/dbraw/zinc/49/15/74/1205491574.db2.gz QLBMZRLCGVVDCZ-PUMWCKSCSA-N 2 0 397.520 0.759 20 0 GCADRP Cn1nccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1=O ZINC001170399874 1205491978 /nfs/dbraw/zinc/49/19/78/1205491978.db2.gz OQWLTORBVQQVLR-WSLKZVHASA-N 2 0 397.520 0.054 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000793715245 1205503227 /nfs/dbraw/zinc/50/32/27/1205503227.db2.gz XBLJWTJGQJDVRT-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCCCC1 ZINC000793715883 1205503480 /nfs/dbraw/zinc/50/34/80/1205503480.db2.gz JIXDMRMQJXQQAL-MRXNPFEDSA-N 2 0 395.548 0.036 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000793715596 1205503524 /nfs/dbraw/zinc/50/35/24/1205503524.db2.gz HPIFZCTXXXERMT-KRWDZBQOSA-N 2 0 382.549 0.983 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[NH+]1CCCCC1 ZINC000793727564 1205503879 /nfs/dbraw/zinc/50/38/79/1205503879.db2.gz UFQPSOPNZFXZRA-NZSAHSFTSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000793702063 1205504385 /nfs/dbraw/zinc/50/43/85/1205504385.db2.gz RXPSMYCTYWTJPA-ROUUACIJSA-N 2 0 379.549 0.215 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793702998 1205504650 /nfs/dbraw/zinc/50/46/50/1205504650.db2.gz VNMDGLWGVQTAKB-SJORKVTESA-N 2 0 379.549 0.262 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000793708210 1205504673 /nfs/dbraw/zinc/50/46/73/1205504673.db2.gz LSBSGGOZAVJIED-SJORKVTESA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000793916162 1205509397 /nfs/dbraw/zinc/50/93/97/1205509397.db2.gz XNZSIJGLIYENGH-XDNAFOTISA-N 2 0 394.560 0.839 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000793916164 1205509485 /nfs/dbraw/zinc/50/94/85/1205509485.db2.gz XNZSIJGLIYENGH-XMTFNYHQSA-N 2 0 394.560 0.839 20 0 GCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793915351 1205509499 /nfs/dbraw/zinc/50/94/99/1205509499.db2.gz XSGIMLPBKYKAKA-FLXSYLCISA-N 2 0 380.533 0.448 20 0 GCADRP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858266 1205521125 /nfs/dbraw/zinc/52/11/25/1205521125.db2.gz SQJOPCWPVNFXMA-TVFCKZIOSA-N 2 0 378.521 0.777 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129854830 1205521262 /nfs/dbraw/zinc/52/12/62/1205521262.db2.gz ANRXIDOGLFNBJX-DDBAPUKQSA-N 2 0 376.505 0.529 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)O1 ZINC001129912650 1205522975 /nfs/dbraw/zinc/52/29/75/1205522975.db2.gz UAYDHPNGTAHNJQ-WCXIOVBPSA-N 2 0 382.484 0.479 20 0 GCADRP CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC2 ZINC000806300073 1205553710 /nfs/dbraw/zinc/55/37/10/1205553710.db2.gz HPYBJECDTXYGQL-KRWDZBQOSA-N 2 0 392.548 0.909 20 0 GCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000806505206 1205558092 /nfs/dbraw/zinc/55/80/92/1205558092.db2.gz VZBDXEBXRNUIMX-BZSNNMDCSA-N 2 0 379.549 0.214 20 0 GCADRP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nc12 ZINC000806537729 1205558341 /nfs/dbraw/zinc/55/83/41/1205558341.db2.gz VCZRVFVZHNCOQT-DLBZAZTESA-N 2 0 385.468 0.281 20 0 GCADRP Cn1nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c(=O)n(C)c1=O ZINC001170528503 1205586492 /nfs/dbraw/zinc/58/64/92/1205586492.db2.gz RFHVDRJXXWULBF-UHFFFAOYSA-N 2 0 382.468 0.389 20 0 GCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001086700002 1205660089 /nfs/dbraw/zinc/66/00/89/1205660089.db2.gz RQCCOGYLQPDPMZ-QKPAOTATSA-N 2 0 376.505 0.523 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001086700853 1205660541 /nfs/dbraw/zinc/66/05/41/1205660541.db2.gz PNWIBCJXHLCCDW-XWTMOSNGSA-N 2 0 380.533 0.450 20 0 GCADRP CCOC(=O)[C@@]1(C(C)C)CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000773327643 1205707508 /nfs/dbraw/zinc/70/75/08/1205707508.db2.gz DJUFGCFTXDZVOZ-SFHVURJKSA-N 2 0 380.489 0.871 20 0 GCADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCN(C)CC[NH3+])C[C@H]1C(=O)OCc1ccccc1 ZINC001172259197 1205715072 /nfs/dbraw/zinc/71/50/72/1205715072.db2.gz JNOXCRDWKYLPEL-FGTMMUONSA-N 2 0 377.485 0.778 20 0 GCADRP COCCC[NH+]1CCC(N([C@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)CC1 ZINC001172253844 1205715202 /nfs/dbraw/zinc/71/52/02/1205715202.db2.gz DCJPZXQSULCHJY-KRWDZBQOSA-N 2 0 382.530 0.935 20 0 GCADRP COCCC[NH+]1CCC(N([C@@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)CC1 ZINC001172253845 1205715410 /nfs/dbraw/zinc/71/54/10/1205715410.db2.gz DCJPZXQSULCHJY-QGZVFWFLSA-N 2 0 382.530 0.935 20 0 GCADRP CO[C@H]1CCC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001172920899 1205717907 /nfs/dbraw/zinc/71/79/07/1205717907.db2.gz UQHGGTMJUGJGMO-OALUTQOASA-N 2 0 392.537 0.575 20 0 GCADRP CC[N@@H+]1CC[C@H](N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001173359412 1205720001 /nfs/dbraw/zinc/72/00/01/1205720001.db2.gz MRPXTDJPFQCGEO-LBPRGKRZSA-N 2 0 382.490 0.332 20 0 GCADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)C[C@@H]1C(=O)OC ZINC001173581117 1205724937 /nfs/dbraw/zinc/72/49/37/1205724937.db2.gz GPHKFZZDKCRXAX-YIYPIFLZSA-N 2 0 387.477 0.907 20 0 GCADRP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173588109 1205725392 /nfs/dbraw/zinc/72/53/92/1205725392.db2.gz SWDQZMQQYWVIBA-BCDXTJNWSA-N 2 0 381.517 0.687 20 0 GCADRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173749973 1205727259 /nfs/dbraw/zinc/72/72/59/1205727259.db2.gz DJAHNQOITLWWSY-ZWKOTPCHSA-N 2 0 385.516 0.981 20 0 GCADRP Cn1nnc2c1CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001178691659 1205792146 /nfs/dbraw/zinc/79/21/46/1205792146.db2.gz GJZFIXBVWLJXKU-ZWKOTPCHSA-N 2 0 390.532 0.838 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O ZINC001178751370 1205793856 /nfs/dbraw/zinc/79/38/56/1205793856.db2.gz GOIMAVJAGJGDIR-KGLIPLIRSA-N 2 0 385.509 0.668 20 0 GCADRP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](CC(=O)N(CCCC[NH3+])C(N)=[NH2+])O[C@@H]2C1 ZINC001179093224 1205802330 /nfs/dbraw/zinc/80/23/30/1205802330.db2.gz PKMNVHKKINTGNG-BFHYXJOUSA-N 2 0 383.493 0.862 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001179746641 1205814306 /nfs/dbraw/zinc/81/43/06/1205814306.db2.gz FXCLYUPAQKGXCF-UHFFFAOYSA-N 2 0 385.509 0.812 20 0 GCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001180408699 1205824709 /nfs/dbraw/zinc/82/47/09/1205824709.db2.gz KPYVLZZKBAEGHY-DLBZAZTESA-N 2 0 383.452 0.691 20 0 GCADRP NC(=O)C1CC[NH+](CCC(=O)N(c2ccncc2F)C2CC[NH2+]CC2)CC1 ZINC001180609988 1205828498 /nfs/dbraw/zinc/82/84/98/1205828498.db2.gz BSFKQXFLCUPLMG-UHFFFAOYSA-N 2 0 377.464 0.893 20 0 GCADRP CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001181047556 1205838030 /nfs/dbraw/zinc/83/80/30/1205838030.db2.gz XAZXNBUYOPGOQM-GFCCVEGCSA-N 2 0 387.481 0.507 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001181983016 1205852614 /nfs/dbraw/zinc/85/26/14/1205852614.db2.gz MJBNOIKALYIXFN-OAHLLOKOSA-N 2 0 380.514 0.663 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)CC1 ZINC001182030410 1205853582 /nfs/dbraw/zinc/85/35/82/1205853582.db2.gz AITLQDZTSHZYMG-UHFFFAOYSA-N 2 0 384.484 0.414 20 0 GCADRP Cc1ccc(N(C(=O)C2(O)CC[NH+](C)CC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001182032913 1205853979 /nfs/dbraw/zinc/85/39/79/1205853979.db2.gz VZCJJRUCEGLFPW-QFBILLFUSA-N 2 0 389.500 0.486 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001182032825 1205854056 /nfs/dbraw/zinc/85/40/56/1205854056.db2.gz UYCGZWHWTGPRQK-AEFFLSMTSA-N 2 0 377.460 0.946 20 0 GCADRP CO[C@@H]1CCN(C(=O)C2(O)CC[NH+](C)CC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001182033743 1205854074 /nfs/dbraw/zinc/85/40/74/1205854074.db2.gz ZANNFUHXFKHQAM-IPMKNSEASA-N 2 0 388.512 0.586 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001182032828 1205854083 /nfs/dbraw/zinc/85/40/83/1205854083.db2.gz UYCGZWHWTGPRQK-FUHWJXTLSA-N 2 0 377.460 0.946 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC001182858085 1205881723 /nfs/dbraw/zinc/88/17/23/1205881723.db2.gz PLOCOKGUUMEOLG-ZDUSSCGKSA-N 2 0 376.486 0.517 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC001183080513 1205886811 /nfs/dbraw/zinc/88/68/11/1205886811.db2.gz BLURYISFKQFOBQ-ZWKOTPCHSA-N 2 0 397.479 0.980 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCCCCNS(=O)(=O)c1ccccc1 ZINC001183819195 1205900695 /nfs/dbraw/zinc/90/06/95/1205900695.db2.gz KHCYCXMMLCEGPY-UHFFFAOYSA-N 2 0 383.518 0.986 20 0 GCADRP CN(CC(=O)N(CC[NH3+])S(C)(=O)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183804765 1205901009 /nfs/dbraw/zinc/90/10/09/1205901009.db2.gz GXFVCVZEHIUAQX-CYBMUJFWSA-N 2 0 392.522 0.065 20 0 GCADRP CCN(CC)CCN(C(N)=[NH2+])C(=O)C1(CCOC)CCS(=O)(=O)CC1 ZINC001184561843 1205911628 /nfs/dbraw/zinc/91/16/28/1205911628.db2.gz GNPCQWAKHXDCRP-UHFFFAOYSA-N 2 0 376.523 0.282 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001185250108 1205919022 /nfs/dbraw/zinc/91/90/22/1205919022.db2.gz COINYZKNNMDSGK-QGZVFWFLSA-N 2 0 383.500 0.203 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001185251363 1205919158 /nfs/dbraw/zinc/91/91/58/1205919158.db2.gz NPBQANYWOZKJHB-NEWSRXKRSA-N 2 0 376.476 0.735 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001185251366 1205919509 /nfs/dbraw/zinc/91/95/09/1205919509.db2.gz NPBQANYWOZKJHB-WDSOQIARSA-N 2 0 376.476 0.735 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000774863411 1205921955 /nfs/dbraw/zinc/92/19/55/1205921955.db2.gz HCEZYDPZAPKRBF-KRWDZBQOSA-N 2 0 380.533 0.737 20 0 GCADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)CN3CC[C@H](O)C3)CC2)c1 ZINC001186055090 1205934374 /nfs/dbraw/zinc/93/43/74/1205934374.db2.gz KLCGTGRLUDZNAB-SFHVURJKSA-N 2 0 375.469 0.620 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775045499 1205945247 /nfs/dbraw/zinc/94/52/47/1205945247.db2.gz UGEXVJSQWUPUIS-CEXWTWQISA-N 2 0 386.496 0.357 20 0 GCADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001186904984 1205951375 /nfs/dbraw/zinc/95/13/75/1205951375.db2.gz GFHVGXIRUYWZSX-KRWDZBQOSA-N 2 0 385.468 0.686 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001187319695 1205961095 /nfs/dbraw/zinc/96/10/95/1205961095.db2.gz ZLOHKQDFLYCIJG-AWEZNQCLSA-N 2 0 384.525 0.601 20 0 GCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2ccccc2CN2CCOCC2)O1 ZINC001187449606 1205962846 /nfs/dbraw/zinc/96/28/46/1205962846.db2.gz INMMYVCVYIKWEL-GGPKGHCWSA-N 2 0 377.485 0.973 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cccnn2)[C@@H](O)OC(C)(C)C)C1 ZINC001188678733 1205988991 /nfs/dbraw/zinc/98/89/91/1205988991.db2.gz AXEHBAWFJVFEEZ-XRDYDQJJSA-N 2 0 395.504 0.386 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cccnn2)[C@H](O)OC(C)(C)C)C1 ZINC001188678731 1205989007 /nfs/dbraw/zinc/98/90/07/1205989007.db2.gz AXEHBAWFJVFEEZ-VLGRORTASA-N 2 0 395.504 0.386 20 0 GCADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164741526 720610065 /nfs/dbraw/zinc/61/00/65/720610065.db2.gz LLPXPWGTRADVRZ-CHWSQXEVSA-N 2 0 387.875 0.908 20 0 GCADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164743660 720622087 /nfs/dbraw/zinc/62/20/87/720622087.db2.gz PZMVCYGWFMOIKX-DLBZAZTESA-N 2 0 396.499 0.360 20 0 GCADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164743679 720622412 /nfs/dbraw/zinc/62/24/12/720622412.db2.gz PZMVCYGWFMOIKX-IRXDYDNUSA-N 2 0 396.499 0.360 20 0 GCADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164744396 720638855 /nfs/dbraw/zinc/63/88/55/720638855.db2.gz RZFPYQWDJCYUPZ-STQMWFEESA-N 2 0 387.875 0.908 20 0 GCADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164740386 720731271 /nfs/dbraw/zinc/73/12/71/720731271.db2.gz KMELXUMVFLZXPS-DLBZAZTESA-N 2 0 396.499 0.536 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@H]2C1 ZINC001164850922 720840425 /nfs/dbraw/zinc/84/04/25/720840425.db2.gz FOTMSFXNFMQFSG-BBRMVZONSA-N 2 0 381.908 0.949 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164852968 720877850 /nfs/dbraw/zinc/87/78/50/720877850.db2.gz ASPCPRNNMMXKFY-FUHWJXTLSA-N 2 0 391.516 0.781 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762668 721080296 /nfs/dbraw/zinc/08/02/96/721080296.db2.gz FFHBNUDWHSDLMH-OALUTQOASA-N 2 0 396.543 0.920 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164765253 721091878 /nfs/dbraw/zinc/09/18/78/721091878.db2.gz ISQIVZBTTDRVQI-ZWKOTPCHSA-N 2 0 382.516 0.578 20 0 GCADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@@H+]3C2)c1 ZINC001164862834 721095812 /nfs/dbraw/zinc/09/58/12/721095812.db2.gz BBAZJHGPUGQPAP-RTBURBONSA-N 2 0 395.511 0.761 20 0 GCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889769 721422605 /nfs/dbraw/zinc/42/26/05/721422605.db2.gz RJSXLHBTJZHHCE-WIYYLYMNSA-N 2 0 386.544 0.888 20 0 GCADRP Cc1cc(N[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571271602 945646975 /nfs/dbraw/zinc/64/69/75/945646975.db2.gz FLTNINFEPNOJAN-CSMYWGQOSA-N 2 0 386.504 0.837 20 0 GCADRP CC[C@H](C(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272051 945653739 /nfs/dbraw/zinc/65/37/39/945653739.db2.gz NRDGPLZIDRNNEX-VQIMIIECSA-N 2 0 386.504 0.983 20 0 GCADRP CC[C@@H](C(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001571272493 945664117 /nfs/dbraw/zinc/66/41/17/945664117.db2.gz UTKFUQMGTDQQLK-YOEHRIQHSA-N 2 0 386.504 0.983 20 0 GCADRP CC(C)(C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573763812 948877258 /nfs/dbraw/zinc/87/72/58/948877258.db2.gz IKDJZAXKDDTRKM-AWEZNQCLSA-N 2 0 384.488 0.961 20 0 GCADRP CC(C)(C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573772607 948963558 /nfs/dbraw/zinc/96/35/58/948963558.db2.gz VXTAGIKUYZHFJK-UHFFFAOYSA-N 2 0 384.488 0.865 20 0 GCADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573773388 948984257 /nfs/dbraw/zinc/98/42/57/948984257.db2.gz ANHLPPYEZZKGEF-HNNXBMFYSA-N 2 0 387.488 0.308 20 0 GCADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574931761 949124477 /nfs/dbraw/zinc/12/44/77/949124477.db2.gz RZZYXJVPOJTIBE-AWEZNQCLSA-N 2 0 387.488 0.572 20 0 GCADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575254207 949196996 /nfs/dbraw/zinc/19/69/96/949196996.db2.gz LXFZUIQKVKHKTH-AWEZNQCLSA-N 2 0 381.484 0.899 20 0 GCADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575254212 949198288 /nfs/dbraw/zinc/19/82/88/949198288.db2.gz LXFZUIQKVKHKTH-CQSZACIVSA-N 2 0 381.484 0.899 20 0 GCADRP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574704136 949372814 /nfs/dbraw/zinc/37/28/14/949372814.db2.gz LGFCTTWXODXNDK-CQSZACIVSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574726283 949932998 /nfs/dbraw/zinc/93/29/98/949932998.db2.gz HTGRJZYLONRZQJ-ZDUSSCGKSA-N 2 0 388.476 0.053 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192109 950226279 /nfs/dbraw/zinc/22/62/79/950226279.db2.gz JUJAXDLPWJGWQT-GDBMZVCRSA-N 2 0 387.488 0.117 20 0 GCADRP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574158783 950286515 /nfs/dbraw/zinc/28/65/15/950286515.db2.gz SLLCEPJQCJNGIT-OAHLLOKOSA-N 2 0 386.504 0.968 20 0 GCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574158724 950286656 /nfs/dbraw/zinc/28/66/56/950286656.db2.gz RGHDNSXGLPSZHX-GJZGRUSLSA-N 2 0 386.504 0.968 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193290 950292160 /nfs/dbraw/zinc/29/21/60/950292160.db2.gz SCWIHEWAASTYMW-SUMWQHHRSA-N 2 0 384.488 0.674 20 0 GCADRP CC1CC[NH+](CC(=O)N2CC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576196408 950359458 /nfs/dbraw/zinc/35/94/58/950359458.db2.gz CPLGWXHSCVDJFW-HNNXBMFYSA-N 2 0 384.488 0.676 20 0 GCADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573855531 950380300 /nfs/dbraw/zinc/38/03/00/950380300.db2.gz XJGGICGFAVXMND-SFHVURJKSA-N 2 0 390.467 0.814 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198010 950403559 /nfs/dbraw/zinc/40/35/59/950403559.db2.gz RBHCXAYRMXWYQE-CABCVRRESA-N 2 0 384.488 0.888 20 0 GCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576204887 950482040 /nfs/dbraw/zinc/48/20/40/950482040.db2.gz DFZKOAFHOOBPSZ-STQMWFEESA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205172 950497544 /nfs/dbraw/zinc/49/75/44/950497544.db2.gz VWFHYVIAKZEALZ-ORAYPTAESA-N 2 0 384.488 0.722 20 0 GCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576205841 950544845 /nfs/dbraw/zinc/54/48/45/950544845.db2.gz QFYVLGCISDKYPU-QWHCGFSZSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575077228 951664874 /nfs/dbraw/zinc/66/48/74/951664874.db2.gz AWVVVTLVIOGTIC-CYBMUJFWSA-N 2 0 375.452 0.944 20 0 GCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082182 951731243 /nfs/dbraw/zinc/73/12/43/951731243.db2.gz VJEJXIYPEOAMRA-CYBMUJFWSA-N 2 0 387.463 0.944 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089064 951746168 /nfs/dbraw/zinc/74/61/68/951746168.db2.gz CYGDKXSYRKDIRP-DOMZBBRYSA-N 2 0 375.452 0.799 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575098456 951823853 /nfs/dbraw/zinc/82/38/53/951823853.db2.gz DHMDQTHIQVDHFF-GFCCVEGCSA-N 2 0 375.502 0.961 20 0 GCADRP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575101515 951859747 /nfs/dbraw/zinc/85/97/47/951859747.db2.gz GEOITPWCNZNAOT-TZMCWYRMSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575147173 952199303 /nfs/dbraw/zinc/19/93/03/952199303.db2.gz ROMNYBIUNPUIRW-ZDUSSCGKSA-N 2 0 388.476 0.053 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120054 952498841 /nfs/dbraw/zinc/49/88/41/952498841.db2.gz HLLUOURVOXAODH-STQMWFEESA-N 2 0 375.502 0.818 20 0 GCADRP O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571190073 952939796 /nfs/dbraw/zinc/93/97/96/952939796.db2.gz DQVRVWACTFFYSA-FGTMMUONSA-N 2 0 381.484 0.945 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571192789 952949218 /nfs/dbraw/zinc/94/92/18/952949218.db2.gz VXOYSUHTYXWBJU-FGTMMUONSA-N 2 0 381.484 0.994 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571192826 952950249 /nfs/dbraw/zinc/95/02/49/952950249.db2.gz WRXUTIXLPGCGPB-KZNAEPCWSA-N 2 0 381.484 0.994 20 0 GCADRP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571211755 953080325 /nfs/dbraw/zinc/08/03/25/953080325.db2.gz FFWPGVYFYCVWHZ-BOGLJMFRSA-N 2 0 382.472 0.461 20 0 GCADRP O=C(N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001571216867 953104511 /nfs/dbraw/zinc/10/45/11/953104511.db2.gz BBNBFZXDOIRKMR-CQSZACIVSA-N 2 0 382.472 0.715 20 0 GCADRP C[C@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001571250655 953312178 /nfs/dbraw/zinc/31/21/78/953312178.db2.gz RSAIPGNTDDCCIN-HUUCEWRRSA-N 2 0 384.488 0.961 20 0 GCADRP Cc1cc(N[C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252090 953322782 /nfs/dbraw/zinc/32/27/82/953322782.db2.gz GXNTYPYZYRTEAM-OTVXOJSOSA-N 2 0 384.488 0.641 20 0 GCADRP Cc1cc(N[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252096 953324214 /nfs/dbraw/zinc/32/42/14/953324214.db2.gz HAXWZFOQBXJDGM-YOEHRIQHSA-N 2 0 384.488 0.879 20 0 GCADRP CS[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000601397861 530385481 /nfs/dbraw/zinc/38/54/81/530385481.db2.gz VNRSIMBLSPRCRM-IAGOWNOFSA-N 2 0 390.619 0.465 20 0 GCADRP Cn1cc(I)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000602898521 530486093 /nfs/dbraw/zinc/48/60/93/530486093.db2.gz MWUBACUOIKXQBW-UHFFFAOYSA-N 2 0 393.273 0.590 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1Cl ZINC000498059351 530558184 /nfs/dbraw/zinc/55/81/84/530558184.db2.gz FASLKODCVKSSKC-ZDUSSCGKSA-N 2 0 377.894 0.981 20 0 GCADRP CC(C)N(CCCNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)S(C)(=O)=O ZINC000481082963 530775348 /nfs/dbraw/zinc/77/53/48/530775348.db2.gz XJCYPDXUORNGHM-UHFFFAOYSA-N 2 0 376.567 0.436 20 0 GCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)CCCN1CCOCC1 ZINC000376949371 530820391 /nfs/dbraw/zinc/82/03/91/530820391.db2.gz OGIRSONNKOKPOV-ZACQAIPSSA-N 2 0 375.535 0.222 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000420027762 530964949 /nfs/dbraw/zinc/96/49/49/530964949.db2.gz LISWMFJCWDUTAE-GFCCVEGCSA-N 2 0 385.306 0.803 20 0 GCADRP C[C@@]([NH3+])(C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(Br)cc1 ZINC000646801498 530955436 /nfs/dbraw/zinc/95/54/36/530955436.db2.gz PBARSFQOJUGBPI-HNNXBMFYSA-N 2 0 394.277 0.789 20 0 GCADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000523654177 530982309 /nfs/dbraw/zinc/98/23/09/530982309.db2.gz QSAYVSMODBOQTJ-UHFFFAOYSA-N 2 0 376.567 0.436 20 0 GCADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000261987081 530991687 /nfs/dbraw/zinc/99/16/87/530991687.db2.gz QJDITQVFUNHXKR-SJKOYZFVSA-N 2 0 397.317 0.937 20 0 GCADRP O=C(CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)N1CC[NH2+]CC1 ZINC000262107874 530993604 /nfs/dbraw/zinc/99/36/04/530993604.db2.gz MMBBADVRDBHITH-UHFFFAOYSA-N 2 0 386.543 0.313 20 0 GCADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662403426 531020686 /nfs/dbraw/zinc/02/06/86/531020686.db2.gz WHCDDLJGQMBPNC-CYBMUJFWSA-N 2 0 380.392 0.404 20 0 GCADRP Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000822637399 606285177 /nfs/dbraw/zinc/28/51/77/606285177.db2.gz PXEPYDJAFAWOEN-UHFFFAOYSA-N 2 0 395.471 0.542 20 0 GCADRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1-c1nn[nH]n1 ZINC000826073156 608021813 /nfs/dbraw/zinc/02/18/13/608021813.db2.gz HCXNGDPGBOHZQB-GFCCVEGCSA-N 2 0 375.481 0.945 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825860261 609229645 /nfs/dbraw/zinc/22/96/45/609229645.db2.gz MVLUBBNGEKLODR-KRWDZBQOSA-N 2 0 389.504 0.632 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)C1CCOCC1 ZINC000739953188 640202142 /nfs/dbraw/zinc/20/21/42/640202142.db2.gz GLMVDSCSACWKEL-QGZVFWFLSA-N 2 0 376.567 0.690 20 0 GCADRP COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000867588942 641359801 /nfs/dbraw/zinc/35/98/01/641359801.db2.gz KFCSPSSFADSBDI-CHWSQXEVSA-N 2 0 389.543 0.895 20 0 GCADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)C[C@H]1C[NH+](C)C ZINC000867590323 641359864 /nfs/dbraw/zinc/35/98/64/641359864.db2.gz OMFZJCXCKFHXJY-GHMZBOCLSA-N 2 0 394.339 0.532 20 0 GCADRP Cn1ncc(Br)c1CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019709 641637766 /nfs/dbraw/zinc/63/77/66/641637766.db2.gz NSEFEWJQFGWNRL-CHWSQXEVSA-N 2 0 386.338 0.923 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000809528629 641709855 /nfs/dbraw/zinc/70/98/55/641709855.db2.gz BWBVIPAAUAYULQ-KFWWJZLASA-N 2 0 388.603 0.434 20 0 GCADRP COC(=O)C1(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCCC1 ZINC000813662742 641788698 /nfs/dbraw/zinc/78/86/98/641788698.db2.gz LYBAMGQWZBAZLW-UHFFFAOYSA-N 2 0 377.551 0.865 20 0 GCADRP CCOC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(F)cc1C ZINC000842481274 642337441 /nfs/dbraw/zinc/33/74/41/642337441.db2.gz JANKREFSIJQKEU-UHFFFAOYSA-N 2 0 375.466 0.999 20 0 GCADRP CC[NH+](CC)CCN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000843488447 642372903 /nfs/dbraw/zinc/37/29/03/642372903.db2.gz ZWPPYHZRQHQECD-CVEARBPZSA-N 2 0 375.535 0.113 20 0 GCADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000893494586 1192166455 /nfs/dbraw/zinc/16/64/55/1192166455.db2.gz PMMSPNUJRFPWSY-DLBZAZTESA-N 2 0 379.549 0.959 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000662960285 1192171349 /nfs/dbraw/zinc/17/13/49/1192171349.db2.gz PPHJGOOJZPIGCL-RBUKOAKNSA-N 2 0 388.512 0.338 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)c1 ZINC000662985792 1192178159 /nfs/dbraw/zinc/17/81/59/1192178159.db2.gz BAKPCEQIVSQYRN-CABCVRRESA-N 2 0 375.473 0.325 20 0 GCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467253052 1192202737 /nfs/dbraw/zinc/20/27/37/1192202737.db2.gz CCSVWFJPUCVQAH-SFHVURJKSA-N 2 0 395.548 0.613 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423446549 1192218808 /nfs/dbraw/zinc/21/88/08/1192218808.db2.gz OIZABJPCFXNTDU-NRFANRHFSA-N 2 0 394.560 0.938 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC000652461767 1192228139 /nfs/dbraw/zinc/22/81/39/1192228139.db2.gz MFNPORCUVBNZDF-UHFFFAOYSA-N 2 0 390.532 0.400 20 0 GCADRP [NH3+]CCc1nnn(-c2cc(N3CCC[C@H]([NH3+])C3)nc(Oc3ccccc3)n2)n1 ZINC001167790837 1192257104 /nfs/dbraw/zinc/25/71/04/1192257104.db2.gz OOGMZQLTSACXTR-ZDUSSCGKSA-N 2 0 381.444 0.673 20 0 GCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CNC3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662284811 1192276245 /nfs/dbraw/zinc/27/62/45/1192276245.db2.gz POVSFKHQTDAJSU-UHFFFAOYSA-N 2 0 390.528 0.434 20 0 GCADRP O=C(CNC1(CO)CC[NH2+]CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000662286976 1192277051 /nfs/dbraw/zinc/27/70/51/1192277051.db2.gz OGKJCCHYFYHJMP-UHFFFAOYSA-N 2 0 378.542 0.878 20 0 GCADRP CC[NH+]1CCN(c2ccc(CNC(=O)c3cnnn3C3CC[NH2+]CC3)cn2)CC1 ZINC000662387252 1192287839 /nfs/dbraw/zinc/28/78/39/1192287839.db2.gz QSUOYWJGVIRLFA-UHFFFAOYSA-N 2 0 398.515 0.670 20 0 GCADRP C[NH+](C)CCn1c2cc(NC(=O)c3cnnn3C3CC[NH2+]CC3)ccc2oc1=O ZINC000662424119 1192292068 /nfs/dbraw/zinc/29/20/68/1192292068.db2.gz OCXOBLRYVBUKLD-UHFFFAOYSA-N 2 0 399.455 0.924 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069924000 1192320088 /nfs/dbraw/zinc/32/00/88/1192320088.db2.gz UGBUUXYNDRVUKG-IBGZPJMESA-N 2 0 381.565 0.768 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCCC1 ZINC000652666343 1192380043 /nfs/dbraw/zinc/38/00/43/1192380043.db2.gz DWMDAAYFNCGHIO-GVDBMIGSSA-N 2 0 380.533 0.722 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCN(C)CC1 ZINC000663561619 1192390032 /nfs/dbraw/zinc/39/00/32/1192390032.db2.gz UPNKVKILQBCSCV-MOPGFXCFSA-N 2 0 381.565 0.499 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663579806 1192401954 /nfs/dbraw/zinc/40/19/54/1192401954.db2.gz JJNBQGGYXMMBIE-IBGZPJMESA-N 2 0 381.565 0.909 20 0 GCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000652671536 1192413907 /nfs/dbraw/zinc/41/39/07/1192413907.db2.gz GPPCANOSTOWIKF-MSOLQXFVSA-N 2 0 380.533 0.376 20 0 GCADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663612140 1192417037 /nfs/dbraw/zinc/41/70/37/1192417037.db2.gz GEPFUZSWQLGQKE-HXUWFJFHSA-N 2 0 389.500 0.120 20 0 GCADRP CN1CCN(C(=O)CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663620308 1192421690 /nfs/dbraw/zinc/42/16/90/1192421690.db2.gz IRXBXQPKANJFMU-QGZVFWFLSA-N 2 0 381.521 0.047 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432449560 1192450397 /nfs/dbraw/zinc/45/03/97/1192450397.db2.gz RXYJUFLRBMQKGI-KRWDZBQOSA-N 2 0 397.564 0.465 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C[C@H]1C[NH3+] ZINC000652677211 1192462287 /nfs/dbraw/zinc/46/22/87/1192462287.db2.gz UKDPUFFLMNTWCC-FGTMMUONSA-N 2 0 382.549 0.825 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652678152 1192487290 /nfs/dbraw/zinc/48/72/90/1192487290.db2.gz VURMKTDJIPQZNS-FCGDIQPGSA-N 2 0 394.560 0.968 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652681548 1192520689 /nfs/dbraw/zinc/52/06/89/1192520689.db2.gz MPIZKKOQLHNDEI-CFVWQIKISA-N 2 0 378.517 0.330 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652682069 1192521887 /nfs/dbraw/zinc/52/18/87/1192521887.db2.gz ANKAJLDRFOXFIW-OWSLCNJRSA-N 2 0 380.533 0.579 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C[N@@H+]1C1CC1 ZINC000652681891 1192522154 /nfs/dbraw/zinc/52/21/54/1192522154.db2.gz WXKPHKRHAKVYME-OCABDXPQSA-N 2 0 378.517 0.473 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000187307969 1192522996 /nfs/dbraw/zinc/52/29/96/1192522996.db2.gz UQNXWLRTXUXSSJ-ROUUACIJSA-N 2 0 383.581 0.745 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[NH2+]1 ZINC000418605942 1192525300 /nfs/dbraw/zinc/52/53/00/1192525300.db2.gz QAOKASPRPNLIOI-SZMVWBNQSA-N 2 0 375.517 0.715 20 0 GCADRP C[C@@H]1OCC[C@@]1(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279449438 1192541993 /nfs/dbraw/zinc/54/19/93/1192541993.db2.gz KORIRNVRRSWDMP-QFBILLFUSA-N 2 0 377.489 0.433 20 0 GCADRP CC(=O)NC[C@H]1CN(c2ccc(NC(=[NH2+])NCCCC[NH3+])c(F)c2)C(=O)O1 ZINC001167877709 1192560959 /nfs/dbraw/zinc/56/09/59/1192560959.db2.gz BBNACTUMRXHAIY-ZDUSSCGKSA-N 2 0 380.424 0.962 20 0 GCADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512250869 1192575122 /nfs/dbraw/zinc/57/51/22/1192575122.db2.gz WCRISMURGQFXKT-INIZCTEOSA-N 2 0 392.500 0.722 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(C)(C)C[NH+](C)C ZINC000652685055 1192595702 /nfs/dbraw/zinc/59/57/02/1192595702.db2.gz BVKKTEWJNOXKAO-MWDXBVQZSA-N 2 0 382.549 0.824 20 0 GCADRP COC[C@]1(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CCC[NH2+]1 ZINC000418659216 1192624902 /nfs/dbraw/zinc/62/49/02/1192624902.db2.gz VLKYISODXBBWOD-SVFBPWRDSA-N 2 0 390.528 0.937 20 0 GCADRP COC[C@]1(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CCC[NH2+]1 ZINC000418659213 1192624972 /nfs/dbraw/zinc/62/49/72/1192624972.db2.gz VLKYISODXBBWOD-IRFCIJBXSA-N 2 0 390.528 0.937 20 0 GCADRP COC[C@]1(CNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000418652718 1192625665 /nfs/dbraw/zinc/62/56/65/1192625665.db2.gz JEQZWNSCJXCNID-QWFCFKBJSA-N 2 0 376.501 0.690 20 0 GCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000418669471 1192628867 /nfs/dbraw/zinc/62/88/67/1192628867.db2.gz PUBJJFUDDWFPKJ-KYJSFNMBSA-N 2 0 395.548 0.120 20 0 GCADRP CC[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000418669985 1192629202 /nfs/dbraw/zinc/62/92/02/1192629202.db2.gz PWGQQNSIFFQSSN-XZKMEQPCSA-N 2 0 395.548 0.120 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418752484 1192639731 /nfs/dbraw/zinc/63/97/31/1192639731.db2.gz BVVBSQOKNXBVLH-IPMKNSEASA-N 2 0 375.517 0.072 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418755657 1192639872 /nfs/dbraw/zinc/63/98/72/1192639872.db2.gz GBKHOAAHXZCPSP-HXUWFJFHSA-N 2 0 388.560 0.349 20 0 GCADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000418787698 1192644314 /nfs/dbraw/zinc/64/43/14/1192644314.db2.gz UQERXVRHRJWDBR-SFHVURJKSA-N 2 0 387.528 0.655 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418794876 1192645631 /nfs/dbraw/zinc/64/56/31/1192645631.db2.gz BSLDCMKUWWQSAT-NRFANRHFSA-N 2 0 392.544 0.597 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000418793876 1192645762 /nfs/dbraw/zinc/64/57/62/1192645762.db2.gz AVFIIIMBOOKSPJ-DLBZAZTESA-N 2 0 380.533 0.581 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418795650 1192647214 /nfs/dbraw/zinc/64/72/14/1192647214.db2.gz CQPBISFXTLALEP-LJQANCHMSA-N 2 0 380.533 0.583 20 0 GCADRP O=C(NCC1=CC[NH2+]CC1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418801660 1192648860 /nfs/dbraw/zinc/64/88/60/1192648860.db2.gz JQRWJWQADFOWAQ-UHFFFAOYSA-N 2 0 378.517 0.421 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418806428 1192650485 /nfs/dbraw/zinc/65/04/85/1192650485.db2.gz OHWLFVBKDQHVTN-QZTJIDSGSA-N 2 0 394.560 0.890 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C)cc1OC ZINC000418822146 1192655613 /nfs/dbraw/zinc/65/56/13/1192655613.db2.gz AJCLQXPCIFSNLT-HUUCEWRRSA-N 2 0 380.489 0.522 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)[NH+](C)C)cc1OC ZINC000418837352 1192662849 /nfs/dbraw/zinc/66/28/49/1192662849.db2.gz SMPPMFMFAGHESW-OAHLLOKOSA-N 2 0 378.473 0.245 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418831010 1192658635 /nfs/dbraw/zinc/65/86/35/1192658635.db2.gz YEJSLGWLHWSQKN-KZNAEPCWSA-N 2 0 376.501 0.679 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[NH+](C)C)cc1OC ZINC000418832194 1192659372 /nfs/dbraw/zinc/65/93/72/1192659372.db2.gz LUVZSCUUXOVDIN-HUUCEWRRSA-N 2 0 378.473 0.276 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000418830725 1192659438 /nfs/dbraw/zinc/65/94/38/1192659438.db2.gz JVVFIPIIVPTFIS-HOTGVXAUSA-N 2 0 392.500 0.633 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[NH+](C)C)cc1OC ZINC000418835141 1192660478 /nfs/dbraw/zinc/66/04/78/1192660478.db2.gz PMSGCDUNRHSDKU-OAHLLOKOSA-N 2 0 392.500 0.633 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[NH+](C)C)cc1OC ZINC000418837638 1192662115 /nfs/dbraw/zinc/66/21/15/1192662115.db2.gz TVOINOBGBUWNKO-LSDHHAIUSA-N 2 0 378.473 0.276 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000418842133 1192663102 /nfs/dbraw/zinc/66/31/02/1192663102.db2.gz HIXXFZUXRVURAG-HNNXBMFYSA-N 2 0 379.530 0.023 20 0 GCADRP CCc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000418842139 1192663113 /nfs/dbraw/zinc/66/31/13/1192663113.db2.gz HJHCNFFYVNTPLZ-MSOLQXFVSA-N 2 0 376.501 0.463 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000418841587 1192663242 /nfs/dbraw/zinc/66/32/42/1192663242.db2.gz GTUWDZHQBQXCFU-CRAIPNDOSA-N 2 0 376.501 0.872 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418847148 1192665055 /nfs/dbraw/zinc/66/50/55/1192665055.db2.gz HNRRTTYWSZIECM-UXHICEINSA-N 2 0 399.539 0.273 20 0 GCADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000418854434 1192669432 /nfs/dbraw/zinc/66/94/32/1192669432.db2.gz TVZWPXZGLMEYMR-JKSUJKDBSA-N 2 0 394.541 0.823 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000418864551 1192669447 /nfs/dbraw/zinc/66/94/47/1192669447.db2.gz QXXVTVUCJUEYDH-IEBWSBKVSA-N 2 0 387.528 0.177 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000418864549 1192669803 /nfs/dbraw/zinc/66/98/03/1192669803.db2.gz QXXVTVUCJUEYDH-HKUYNNGSSA-N 2 0 387.528 0.177 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862302 1192670787 /nfs/dbraw/zinc/67/07/87/1192670787.db2.gz AMOXVJXUVSYBRM-MPTYRVRUSA-N 2 0 380.533 0.985 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000418860665 1192671055 /nfs/dbraw/zinc/67/10/55/1192671055.db2.gz MADAYNUNHZMJCQ-IPMKNSEASA-N 2 0 388.512 0.904 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)c1 ZINC000418863742 1192672429 /nfs/dbraw/zinc/67/24/29/1192672429.db2.gz PSOKFEKKTHYEGH-MTNOOBJLSA-N 2 0 388.512 0.918 20 0 GCADRP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)c1 ZINC000418882304 1192677837 /nfs/dbraw/zinc/67/78/37/1192677837.db2.gz YQJHXMJIXDVBID-ZWKOTPCHSA-N 2 0 390.484 0.053 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418874814 1192674269 /nfs/dbraw/zinc/67/42/69/1192674269.db2.gz CJFGWAGXSHHECQ-QZTJIDSGSA-N 2 0 376.501 0.359 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418877406 1192674685 /nfs/dbraw/zinc/67/46/85/1192674685.db2.gz ORUSLGDLFOCOJC-KZNAEPCWSA-N 2 0 376.501 0.240 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418878725 1192674715 /nfs/dbraw/zinc/67/47/15/1192674715.db2.gz MAODHKJUDBXURG-RTBURBONSA-N 2 0 390.528 0.701 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCCO1 ZINC000418878121 1192676054 /nfs/dbraw/zinc/67/60/54/1192676054.db2.gz LBORNBBSXANFQC-NZSAHSFTSA-N 2 0 388.512 0.557 20 0 GCADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000418877917 1192676449 /nfs/dbraw/zinc/67/64/49/1192676449.db2.gz PXZSWDVHOSFTSY-OALUTQOASA-N 2 0 388.512 0.857 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCSC2)CC[NH+](Cc2ccccc2)CC1 ZINC000418904455 1192685372 /nfs/dbraw/zinc/68/53/72/1192685372.db2.gz JFBAVSZUKGUCAZ-QGZVFWFLSA-N 2 0 390.553 0.965 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)C[C@@H]1C[NH3+] ZINC000418919895 1192691391 /nfs/dbraw/zinc/69/13/91/1192691391.db2.gz XVLLVRRUBSWHNB-APWZRJJASA-N 2 0 388.512 0.578 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000418926411 1192694192 /nfs/dbraw/zinc/69/41/92/1192694192.db2.gz RFXSBHONHFWVEO-KRWDZBQOSA-N 2 0 380.533 0.452 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)ccn1 ZINC000418952288 1192699880 /nfs/dbraw/zinc/69/98/80/1192699880.db2.gz JXIGIHGKTLQGRV-QGZVFWFLSA-N 2 0 385.468 0.454 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000418954263 1192700444 /nfs/dbraw/zinc/70/04/44/1192700444.db2.gz NGJSPKRIKWJZII-INIZCTEOSA-N 2 0 377.489 0.239 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418953173 1192700235 /nfs/dbraw/zinc/70/02/35/1192700235.db2.gz KZKDSKOTPWQUAJ-ZBFHGGJFSA-N 2 0 377.489 0.367 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000418958587 1192700494 /nfs/dbraw/zinc/70/04/94/1192700494.db2.gz XPNFEBOVSBBWRN-KSZLIROESA-N 2 0 380.533 0.504 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418952735 1192700664 /nfs/dbraw/zinc/70/06/64/1192700664.db2.gz KJWUTWNWKWHIOL-SQNIBIBYSA-N 2 0 380.533 0.471 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H]1C[NH3+] ZINC000418954572 1192701358 /nfs/dbraw/zinc/70/13/58/1192701358.db2.gz OILJLAYZIMNVAD-VDHUWJSZSA-N 2 0 380.533 0.456 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccn1 ZINC000418956514 1192701540 /nfs/dbraw/zinc/70/15/40/1192701540.db2.gz SIUKLRLAYMXRGL-YESZJQIVSA-N 2 0 389.500 0.224 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H]1C[NH3+] ZINC000418955560 1192701691 /nfs/dbraw/zinc/70/16/91/1192701691.db2.gz QPECPSYVRNIXLF-GOEBONIOSA-N 2 0 377.489 0.224 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418960365 1192705498 /nfs/dbraw/zinc/70/54/98/1192705498.db2.gz IVGXYOGLVLTXPA-DLBZAZTESA-N 2 0 388.512 0.986 20 0 GCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418965467 1192704648 /nfs/dbraw/zinc/70/46/48/1192704648.db2.gz PAAKALFQEQRYLV-UHFFFAOYSA-N 2 0 386.496 0.813 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000512451580 1192708439 /nfs/dbraw/zinc/70/84/39/1192708439.db2.gz JDFNWZRKQCDYQQ-INIZCTEOSA-N 2 0 391.582 0.183 20 0 GCADRP CCO[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418978927 1192708767 /nfs/dbraw/zinc/70/87/67/1192708767.db2.gz MJZVLSYDZSGVHJ-HDICACEKSA-N 2 0 388.512 0.780 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000418985240 1192709063 /nfs/dbraw/zinc/70/90/63/1192709063.db2.gz MTNFEGSRYVLOTG-FHLIZLRMSA-N 2 0 376.476 0.927 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000418995643 1192713018 /nfs/dbraw/zinc/71/30/18/1192713018.db2.gz DCVDNOSSHHFELO-RTBURBONSA-N 2 0 388.512 0.863 20 0 GCADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419002921 1192714049 /nfs/dbraw/zinc/71/40/49/1192714049.db2.gz CQQHFEJTQLJHSM-LJQANCHMSA-N 2 0 388.512 0.783 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652686936 1192714645 /nfs/dbraw/zinc/71/46/45/1192714645.db2.gz RKTXAWVEXRJQNA-FJIDUMEYSA-N 2 0 380.533 0.722 20 0 GCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000419006205 1192715772 /nfs/dbraw/zinc/71/57/72/1192715772.db2.gz HIKOUSBJVHWJNU-GOSISDBHSA-N 2 0 376.501 0.639 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000419006228 1192716025 /nfs/dbraw/zinc/71/60/25/1192716025.db2.gz HMAFJTYWQLHQQS-QGZVFWFLSA-N 2 0 394.903 0.607 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000419013274 1192718485 /nfs/dbraw/zinc/71/84/85/1192718485.db2.gz ATKKKCLUNJVNTJ-ZWKOTPCHSA-N 2 0 376.501 0.719 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419024925 1192727285 /nfs/dbraw/zinc/72/72/85/1192727285.db2.gz LHCGBGPMDCXENZ-MRXNPFEDSA-N 2 0 382.549 0.970 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419030165 1192729177 /nfs/dbraw/zinc/72/91/77/1192729177.db2.gz SPMHZLATADCCRH-IXDOHACOSA-N 2 0 395.548 0.069 20 0 GCADRP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000410584213 1192729494 /nfs/dbraw/zinc/72/94/94/1192729494.db2.gz LEBZTGCDWBWWCE-YQVWRLOYSA-N 2 0 391.560 0.308 20 0 GCADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000419033888 1192732889 /nfs/dbraw/zinc/73/28/89/1192732889.db2.gz XRRKYVYZVVJKNY-UHOSZYNNSA-N 2 0 388.512 0.857 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000419039828 1192737345 /nfs/dbraw/zinc/73/73/45/1192737345.db2.gz HTVATEZNARPNHD-QGZVFWFLSA-N 2 0 390.528 0.980 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@H](C)C1 ZINC000419044183 1192738008 /nfs/dbraw/zinc/73/80/08/1192738008.db2.gz SOJFLIADKWCUIQ-NCOADZHNSA-N 2 0 398.548 0.469 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])[C@H](C)C1 ZINC000419042397 1192740195 /nfs/dbraw/zinc/74/01/95/1192740195.db2.gz OZBQCNWFHALHMY-ZJPYXAASSA-N 2 0 382.549 0.968 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@@H](C)C1 ZINC000419045055 1192741811 /nfs/dbraw/zinc/74/18/11/1192741811.db2.gz VNELYUUDEICUIJ-OYSTVDSJSA-N 2 0 394.560 0.825 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000419047530 1192743448 /nfs/dbraw/zinc/74/34/48/1192743448.db2.gz YHXXYGJIOVXZNV-MRXNPFEDSA-N 2 0 376.501 0.637 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000419047659 1192744358 /nfs/dbraw/zinc/74/43/58/1192744358.db2.gz YKVCQQFDYYJUII-CGTJXYLNSA-N 2 0 380.533 0.578 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419058425 1192750357 /nfs/dbraw/zinc/75/03/57/1192750357.db2.gz PVKNBUHXRNXCMF-CEXWTWQISA-N 2 0 388.512 0.589 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000410626369 1192771110 /nfs/dbraw/zinc/77/11/10/1192771110.db2.gz ZEAHWXIQFKXEFG-ZHALLVOQSA-N 2 0 392.544 0.783 20 0 GCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631832 1192775150 /nfs/dbraw/zinc/77/51/50/1192775150.db2.gz OHFOVTKDEVQEAK-SCTDSRPQSA-N 2 0 394.560 0.744 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419084444 1192779061 /nfs/dbraw/zinc/77/90/61/1192779061.db2.gz YNZMYEABDALBLB-DLBZAZTESA-N 2 0 395.548 0.213 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000419081725 1192777785 /nfs/dbraw/zinc/77/77/85/1192777785.db2.gz ORMMYZGVOMYHIR-ROUUACIJSA-N 2 0 392.500 0.380 20 0 GCADRP C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000728926010 1192782597 /nfs/dbraw/zinc/78/25/97/1192782597.db2.gz UDAIYKJVQSNIDM-GFCCVEGCSA-N 2 0 395.529 0.564 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000728925861 1192783972 /nfs/dbraw/zinc/78/39/72/1192783972.db2.gz OHAFSZNUMLFLPW-UHFFFAOYSA-N 2 0 396.532 0.178 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419098528 1192784395 /nfs/dbraw/zinc/78/43/95/1192784395.db2.gz CJSIAKSNIYYMLB-ROUUACIJSA-N 2 0 388.512 0.508 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419102341 1192786540 /nfs/dbraw/zinc/78/65/40/1192786540.db2.gz FBFUBGSOTUHEIW-LRDDRELGSA-N 2 0 380.464 0.733 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419095240 1192788169 /nfs/dbraw/zinc/78/81/69/1192788169.db2.gz ANTSULNQVGMMFG-KURKYZTESA-N 2 0 392.544 0.594 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419095239 1192788425 /nfs/dbraw/zinc/78/84/25/1192788425.db2.gz ANTSULNQVGMMFG-KSZLIROESA-N 2 0 392.544 0.594 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000419120579 1192793677 /nfs/dbraw/zinc/79/36/77/1192793677.db2.gz CNFBBDBXKIXZAM-MSOLQXFVSA-N 2 0 375.517 0.191 20 0 GCADRP CC(C)C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCOCC1 ZINC000419122698 1192795409 /nfs/dbraw/zinc/79/54/09/1192795409.db2.gz UEBRNAJAFWVLAB-GOSISDBHSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419125864 1192797305 /nfs/dbraw/zinc/79/73/05/1192797305.db2.gz UVSHXVYRTAHEFP-WBVHZDCISA-N 2 0 391.520 0.281 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000419103235 1192791967 /nfs/dbraw/zinc/79/19/67/1192791967.db2.gz JNWOKQFOLIFNFS-SFHVURJKSA-N 2 0 390.528 0.756 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N1CC[NH+](C)CC1 ZINC000419128212 1192797924 /nfs/dbraw/zinc/79/79/24/1192797924.db2.gz VOISWTBVNUCVOG-RTBURBONSA-N 2 0 393.576 0.365 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000419128192 1192798008 /nfs/dbraw/zinc/79/80/08/1192798008.db2.gz VNHDPVLPYMVVQM-LJQANCHMSA-N 2 0 395.592 0.803 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000419129238 1192798300 /nfs/dbraw/zinc/79/83/00/1192798300.db2.gz CWOZJKXDRXZQAS-UHFFFAOYSA-N 2 0 388.512 0.845 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419114720 1192800947 /nfs/dbraw/zinc/80/09/47/1192800947.db2.gz SIGUHFKXZVTEDG-BPQIPLTHSA-N 2 0 376.501 0.588 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000419138308 1192803365 /nfs/dbraw/zinc/80/33/65/1192803365.db2.gz SHMILMVTMNUNKY-MRXNPFEDSA-N 2 0 388.512 0.844 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419133230 1192806945 /nfs/dbraw/zinc/80/69/45/1192806945.db2.gz FMTJYINWAGIROT-WBVHZDCISA-N 2 0 376.501 0.877 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000419134647 1192807772 /nfs/dbraw/zinc/80/77/72/1192807772.db2.gz KLUHHZKBIYIHET-IBGZPJMESA-N 2 0 388.512 0.877 20 0 GCADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)(C)C ZINC000419135857 1192808336 /nfs/dbraw/zinc/80/83/36/1192808336.db2.gz NYESZFDIFAYVOW-HZPDHXFCSA-N 2 0 397.564 0.315 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419137207 1192809031 /nfs/dbraw/zinc/80/90/31/1192809031.db2.gz QHDFNWADXBDSLL-IPMKNSEASA-N 2 0 388.512 0.732 20 0 GCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419153348 1192811263 /nfs/dbraw/zinc/81/12/63/1192811263.db2.gz PMYNNVQUOXDBCB-QGZVFWFLSA-N 3 0 389.544 0.553 20 0 GCADRP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000419138640 1192811555 /nfs/dbraw/zinc/81/15/55/1192811555.db2.gz SWPYXTSBSTUAEP-SFHVURJKSA-N 2 0 388.512 0.892 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000419154274 1192811926 /nfs/dbraw/zinc/81/19/26/1192811926.db2.gz RBGONPCHVJEBIB-HUUCEWRRSA-N 2 0 380.514 0.262 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000419141092 1192813070 /nfs/dbraw/zinc/81/30/70/1192813070.db2.gz AOSPKRDWECWZJN-NZSAHSFTSA-N 2 0 394.560 0.968 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCc2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000419146350 1192814698 /nfs/dbraw/zinc/81/46/98/1192814698.db2.gz LWJFKLIXDJUIQU-UHFFFAOYSA-N 2 0 395.507 0.850 20 0 GCADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419144944 1192814713 /nfs/dbraw/zinc/81/47/13/1192814713.db2.gz HDUCRHPBSOCQEY-SUYBPPKGSA-N 2 0 382.455 0.983 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419155673 1192816285 /nfs/dbraw/zinc/81/62/85/1192816285.db2.gz UFNXGCXUKBPQMQ-DDUZABMNSA-N 2 0 392.450 0.879 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419157948 1192817927 /nfs/dbraw/zinc/81/79/27/1192817927.db2.gz MCQDNBNDPXIMFN-INIZCTEOSA-N 2 0 376.505 0.083 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159198 1192818320 /nfs/dbraw/zinc/81/83/20/1192818320.db2.gz YZLOTUVUQZIZNA-HOCLYGCPSA-N 2 0 392.500 0.472 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419161467 1192819191 /nfs/dbraw/zinc/81/91/91/1192819191.db2.gz IYQYIDVYDHRLST-ZWKOTPCHSA-N 2 0 376.501 0.364 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419164368 1192821547 /nfs/dbraw/zinc/82/15/47/1192821547.db2.gz LSYDIEKNNPVGNO-WDSOQIARSA-N 2 0 388.512 0.589 20 0 GCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419166112 1192822300 /nfs/dbraw/zinc/82/23/00/1192822300.db2.gz OJSVJJJAJWLDLL-MOPGFXCFSA-N 2 0 388.512 0.510 20 0 GCADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419164868 1192822413 /nfs/dbraw/zinc/82/24/13/1192822413.db2.gz ZOWPBFGWGVVGRK-RTBURBONSA-N 2 0 388.512 0.824 20 0 GCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419167229 1192823302 /nfs/dbraw/zinc/82/33/02/1192823302.db2.gz IFMGXXTWNLIYFP-ZCNNSNEGSA-N 2 0 384.524 0.735 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H](C)C[NH2+]1 ZINC000419172319 1192826015 /nfs/dbraw/zinc/82/60/15/1192826015.db2.gz YXUMGLOSRFJFJF-AOIWGVFYSA-N 2 0 388.512 0.603 20 0 GCADRP COc1cc(C[NH+](C)[C@@]2(CO)CCOC2)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1 ZINC000432868763 1192831229 /nfs/dbraw/zinc/83/12/29/1192831229.db2.gz XOLGZXKXDTYWKF-OYRHEFFESA-N 2 0 394.512 0.862 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197625 1192831326 /nfs/dbraw/zinc/83/13/26/1192831326.db2.gz BSDKDCSYONUKGZ-YOEHRIQHSA-N 2 0 392.500 0.472 20 0 GCADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419192577 1192831480 /nfs/dbraw/zinc/83/14/80/1192831480.db2.gz PIPISSKVHHREAT-MOPGFXCFSA-N 2 0 384.524 0.878 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000419196019 1192832720 /nfs/dbraw/zinc/83/27/20/1192832720.db2.gz AGWKSLIEDLBJJT-QFBILLFUSA-N 2 0 388.512 0.639 20 0 GCADRP CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)N(CC[NH3+])CCO)c2)CC1 ZINC000419196872 1192837141 /nfs/dbraw/zinc/83/71/41/1192837141.db2.gz ACDMEWGQVLEYTJ-UHFFFAOYSA-N 2 0 376.501 0.314 20 0 GCADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000419197692 1192837820 /nfs/dbraw/zinc/83/78/20/1192837820.db2.gz YFJSNIKEYFJCDR-IBGZPJMESA-N 2 0 388.512 0.639 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419198981 1192838683 /nfs/dbraw/zinc/83/86/83/1192838683.db2.gz DDHVVMBLURSULA-YOEHRIQHSA-N 2 0 392.500 0.472 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000419200378 1192838710 /nfs/dbraw/zinc/83/87/10/1192838710.db2.gz FFOBDHHVQPCVKE-AEFFLSMTSA-N 2 0 376.501 0.877 20 0 GCADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419198848 1192839007 /nfs/dbraw/zinc/83/90/07/1192839007.db2.gz CXXMLZLLEVZSCQ-LPHOPBHVSA-N 2 0 388.512 0.863 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000419205431 1192852442 /nfs/dbraw/zinc/85/24/42/1192852442.db2.gz KSXXZJLJJOJRSO-QGZVFWFLSA-N 2 0 388.516 0.050 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419205220 1192855339 /nfs/dbraw/zinc/85/53/39/1192855339.db2.gz JLIODDUMRBSXIL-IYBDPMFKSA-N 2 0 376.501 0.638 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410727386 1192872908 /nfs/dbraw/zinc/87/29/08/1192872908.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 2 0 379.549 0.166 20 0 GCADRP C[NH+]1CC[C@]2(CCN(c3nc(C(N)=O)cc(N4CC[C@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC000893964772 1192884564 /nfs/dbraw/zinc/88/45/64/1192884564.db2.gz USPLXJJIEKTCHG-SFTDATJTSA-N 2 0 399.543 0.640 20 0 GCADRP CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000419211585 1192895932 /nfs/dbraw/zinc/89/59/32/1192895932.db2.gz XGNBKYRVMRZKJR-IBGZPJMESA-N 2 0 388.512 0.639 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419211919 1192900652 /nfs/dbraw/zinc/90/06/52/1192900652.db2.gz YOFBXXZUXBNSEB-RDJZCZTQSA-N 2 0 388.516 0.178 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)CC2)CCO1 ZINC000410779711 1192900858 /nfs/dbraw/zinc/90/08/58/1192900858.db2.gz MDJPNSXXNDVWMC-LMMKCTJWSA-N 2 0 392.544 0.641 20 0 GCADRP C[C@H](NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000419214463 1192905124 /nfs/dbraw/zinc/90/51/24/1192905124.db2.gz MPGJAZJJDKLLGF-DOTOQJQBSA-N 2 0 376.501 0.748 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)NCCC(=O)N3CCOCC3)CC2)CC1 ZINC000051758991 1192905871 /nfs/dbraw/zinc/90/58/71/1192905871.db2.gz XGMCYFSDJXPLOM-UHFFFAOYSA-N 2 0 381.521 0.093 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410839698 1192907283 /nfs/dbraw/zinc/90/72/83/1192907283.db2.gz CTKVFOPBICEBRQ-YLJYHZDGSA-N 2 0 380.533 0.500 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cc2)C[C@H](C)O1 ZINC000419218551 1192916613 /nfs/dbraw/zinc/91/66/13/1192916613.db2.gz SBVSVQBALAUBIW-ZACQAIPSSA-N 2 0 388.512 0.732 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419220693 1192920728 /nfs/dbraw/zinc/92/07/28/1192920728.db2.gz VIYDDWXGKDFLDV-ULQDDVLXSA-N 2 0 390.528 0.884 20 0 GCADRP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410964848 1192920848 /nfs/dbraw/zinc/92/08/48/1192920848.db2.gz BDNIAWUVNVFMLM-CEXWTWQISA-N 2 0 391.560 0.168 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000410989908 1192922616 /nfs/dbraw/zinc/92/26/16/1192922616.db2.gz SDKBTFBZVHJJNS-WMZOPIPTSA-N 2 0 379.549 0.023 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000410989906 1192922739 /nfs/dbraw/zinc/92/27/39/1192922739.db2.gz SDKBTFBZVHJJNS-FUHWJXTLSA-N 2 0 379.549 0.023 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000643542146 1184120726 /nfs/dbraw/zinc/12/07/26/1184120726.db2.gz XTEVXBRBCMDEHL-MAUKXSAKSA-N 2 0 392.500 0.160 20 0 GCADRP CC(C)[C@@H]1CN(C(=O)COCC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@@H+]1C ZINC000683120089 1184134058 /nfs/dbraw/zinc/13/40/58/1184134058.db2.gz BQEAHXVQVJRHAE-HDICACEKSA-N 2 0 382.549 0.600 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654799683 1184144807 /nfs/dbraw/zinc/14/48/07/1184144807.db2.gz UILJOXMSGKZJAU-RBUKOAKNSA-N 2 0 396.601 0.727 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000274700949 1184196355 /nfs/dbraw/zinc/19/63/55/1184196355.db2.gz XWFMBCBGTQMEIJ-KRWDZBQOSA-N 2 0 394.516 0.892 20 0 GCADRP CN1CCN(c2cc(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)ncn2)CC1=O ZINC000274732016 1184231378 /nfs/dbraw/zinc/23/13/78/1184231378.db2.gz CFKDJXXXSOXZCH-SFHVURJKSA-N 2 0 396.495 0.934 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000579838043 1184312022 /nfs/dbraw/zinc/31/20/22/1184312022.db2.gz FBRWDQOLHWBNAI-MRXNPFEDSA-N 2 0 399.499 0.967 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(CC(=O)NCC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000533416001 1184380037 /nfs/dbraw/zinc/38/00/37/1184380037.db2.gz QVIWFIKOMOHRNQ-IYBDPMFKSA-N 2 0 382.549 0.839 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000579866794 1184407848 /nfs/dbraw/zinc/40/78/48/1184407848.db2.gz HMPFONSSINYFMB-AEFFLSMTSA-N 2 0 390.528 0.885 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000610250343 1184575744 /nfs/dbraw/zinc/57/57/44/1184575744.db2.gz UUBDAUUDDAWSMH-MJGOQNOKSA-N 2 0 379.549 0.166 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000275392258 1184650113 /nfs/dbraw/zinc/65/01/13/1184650113.db2.gz CQQNOVONCZXJHX-UHFFFAOYSA-N 2 0 376.501 0.692 20 0 GCADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000579933620 1184755037 /nfs/dbraw/zinc/75/50/37/1184755037.db2.gz LXOQQYNGVBGJSG-DOTOQJQBSA-N 2 0 375.517 0.333 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@H+](C)C1 ZINC000413393512 1184814963 /nfs/dbraw/zinc/81/49/63/1184814963.db2.gz LBHDKAZELOJQFS-HYVNUMGLSA-N 2 0 382.505 0.110 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642735259 1184829857 /nfs/dbraw/zinc/82/98/57/1184829857.db2.gz KKABYURNVJEFPV-AZUAARDMSA-N 2 0 399.539 0.525 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275637897 1184846353 /nfs/dbraw/zinc/84/63/53/1184846353.db2.gz MNZRMLQNYRYKOU-ZWKOTPCHSA-N 2 0 389.500 0.442 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000655974152 1184909579 /nfs/dbraw/zinc/90/95/79/1184909579.db2.gz NGQNQVONOMGDHV-KSZLIROESA-N 2 0 377.533 0.857 20 0 GCADRP Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000683726565 1184941902 /nfs/dbraw/zinc/94/19/02/1184941902.db2.gz RLZQSMXNBOOIFB-UHFFFAOYSA-N 2 0 385.534 0.277 20 0 GCADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1(C)C ZINC000275717669 1184961213 /nfs/dbraw/zinc/96/12/13/1184961213.db2.gz VOGNAKNRTOEHOG-UZLBHIALSA-N 2 0 375.517 0.982 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000656068397 1185004758 /nfs/dbraw/zinc/00/47/58/1185004758.db2.gz XOGGHRWGLXHADU-KRWDZBQOSA-N 2 0 382.549 0.888 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000656075250 1185013948 /nfs/dbraw/zinc/01/39/48/1185013948.db2.gz GNWRNMHBZGKHJZ-GOSISDBHSA-N 2 0 394.560 0.890 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000656105014 1185031487 /nfs/dbraw/zinc/03/14/87/1185031487.db2.gz XNGALGAURWVANN-MRXNPFEDSA-N 2 0 380.533 0.533 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1)CC1CC1 ZINC000580052905 1185033598 /nfs/dbraw/zinc/03/35/98/1185033598.db2.gz DVCGKQQADWPTMW-UHFFFAOYSA-N 2 0 379.549 0.962 20 0 GCADRP Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000580080821 1185054267 /nfs/dbraw/zinc/05/42/67/1185054267.db2.gz SIHPMCBPXMMMJQ-SFHVURJKSA-N 2 0 380.558 0.891 20 0 GCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC[C@@H]21 ZINC000580165401 1185098608 /nfs/dbraw/zinc/09/86/08/1185098608.db2.gz GCDPANVURNEEAL-OALUTQOASA-N 2 0 392.544 0.500 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580173952 1185105007 /nfs/dbraw/zinc/10/50/07/1185105007.db2.gz DNNVOUQQHKMSIL-OALUTQOASA-N 2 0 389.544 0.581 20 0 GCADRP CN1C(=O)c2ccc(NC(=O)CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2C1=O ZINC000580196227 1185114276 /nfs/dbraw/zinc/11/42/76/1185114276.db2.gz BDMCPKRNOCYQEP-AEFFLSMTSA-N 2 0 386.452 0.679 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000275807407 1185116003 /nfs/dbraw/zinc/11/60/03/1185116003.db2.gz DKAOWBLDVUOAMA-OAHLLOKOSA-N 2 0 390.532 0.722 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000471545205 1185120817 /nfs/dbraw/zinc/12/08/17/1185120817.db2.gz DTXRAZXHTYHNBO-UHFFFAOYSA-N 2 0 383.537 0.027 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000580221847 1185121681 /nfs/dbraw/zinc/12/16/81/1185121681.db2.gz RKCDAPSTNKQKCS-IRXDYDNUSA-N 2 0 382.549 0.698 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000580294065 1185143051 /nfs/dbraw/zinc/14/30/51/1185143051.db2.gz QPIDGVZQSHBLEH-FUHWJXTLSA-N 2 0 376.476 0.927 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCC1 ZINC000275848549 1185180358 /nfs/dbraw/zinc/18/03/58/1185180358.db2.gz NMKCMPZBRNRCIL-UHFFFAOYSA-N 2 0 387.528 0.973 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000580477454 1185246333 /nfs/dbraw/zinc/24/63/33/1185246333.db2.gz OVWHTZRMRRNNPO-IEBWSBKVSA-N 2 0 390.528 0.850 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC000580531744 1185263179 /nfs/dbraw/zinc/26/31/79/1185263179.db2.gz KFKQTMRBHWCJDW-QKLQHJQFSA-N 2 0 389.544 0.999 20 0 GCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000580577911 1185278881 /nfs/dbraw/zinc/27/88/81/1185278881.db2.gz CTUIGNUGWJJCJB-IBGZPJMESA-N 2 0 395.592 0.899 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000580644300 1185296311 /nfs/dbraw/zinc/29/63/11/1185296311.db2.gz OBBDZLXEGZUFAA-XHSDSOJGSA-N 2 0 391.520 0.707 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656284845 1185320844 /nfs/dbraw/zinc/32/08/44/1185320844.db2.gz AHQUAVRGIVHVRA-KURKYZTESA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[N@H+](C)C1CC1 ZINC000557558281 1185356923 /nfs/dbraw/zinc/35/69/23/1185356923.db2.gz SGVWYXBTROSICD-KRWDZBQOSA-N 2 0 393.576 0.461 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275994908 1185389583 /nfs/dbraw/zinc/38/95/83/1185389583.db2.gz NXVFQLSCBMTPIH-UHFFFAOYSA-N 2 0 389.544 0.825 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000580845240 1185395428 /nfs/dbraw/zinc/39/54/28/1185395428.db2.gz VLJPTALWSJBPQU-ZWKOTPCHSA-N 2 0 399.495 0.034 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000580850906 1185395653 /nfs/dbraw/zinc/39/56/53/1185395653.db2.gz VACJXXFGAIDOCI-INIZCTEOSA-N 2 0 380.533 0.689 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000580861729 1185397681 /nfs/dbraw/zinc/39/76/81/1185397681.db2.gz NPEJWOHZFRJAJO-UHFFFAOYSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401324 /nfs/dbraw/zinc/40/13/24/1185401324.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 2 0 391.560 0.404 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000656326369 1185419826 /nfs/dbraw/zinc/41/98/26/1185419826.db2.gz BHHQVRRARWKCDQ-QZTJIDSGSA-N 2 0 394.560 0.813 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000656326366 1185420293 /nfs/dbraw/zinc/42/02/93/1185420293.db2.gz BHHQVRRARWKCDQ-MSOLQXFVSA-N 2 0 394.560 0.813 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000276001352 1185421399 /nfs/dbraw/zinc/42/13/99/1185421399.db2.gz KZEGBXVAFZQDSY-INIZCTEOSA-N 2 0 378.521 0.850 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337536 1185433729 /nfs/dbraw/zinc/43/37/29/1185433729.db2.gz UNMGXNQVTGSWPL-MWDXBVQZSA-N 2 0 382.549 0.837 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419356798 1185442934 /nfs/dbraw/zinc/44/29/34/1185442934.db2.gz NLRXBHMLLYYOIO-SJORKVTESA-N 3 0 388.516 0.096 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354293 1185446944 /nfs/dbraw/zinc/44/69/44/1185446944.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 2 0 393.576 0.604 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC000656353651 1185449225 /nfs/dbraw/zinc/44/92/25/1185449225.db2.gz BRVXSHFMYCBLGN-MSOLQXFVSA-N 2 0 380.533 0.425 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000580967098 1185452875 /nfs/dbraw/zinc/45/28/75/1185452875.db2.gz AMHWIBBANJCGMX-OALUTQOASA-N 2 0 393.576 0.463 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356459 1185456907 /nfs/dbraw/zinc/45/69/07/1185456907.db2.gz DMTIKFPNOMEVQD-QXAKKESOSA-N 2 0 392.544 0.831 20 0 GCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000656356882 1185457520 /nfs/dbraw/zinc/45/75/20/1185457520.db2.gz HUZHPNAHEBGSSR-QYZOEREBSA-N 2 0 392.544 0.690 20 0 GCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656360882 1185465877 /nfs/dbraw/zinc/46/58/77/1185465877.db2.gz WZCGCPBTOXYTIC-RBUKOAKNSA-N 2 0 392.544 0.690 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891356494 1185471276 /nfs/dbraw/zinc/47/12/76/1185471276.db2.gz KVFDNMKTJCJZGY-GOSISDBHSA-N 2 0 381.565 0.862 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C2)CC1 ZINC000581151290 1185518324 /nfs/dbraw/zinc/51/83/24/1185518324.db2.gz KGYDOWXLYWXLJB-LJQANCHMSA-N 2 0 395.592 0.850 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000581211035 1185531312 /nfs/dbraw/zinc/53/13/12/1185531312.db2.gz DYKJHHZBUUVTHD-ROUUACIJSA-N 2 0 382.549 0.936 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000581299702 1185574152 /nfs/dbraw/zinc/57/41/52/1185574152.db2.gz XVZIWTUFZJSVDS-MSOLQXFVSA-N 2 0 395.548 0.197 20 0 GCADRP CC[NH2+]CC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000430556804 1185588739 /nfs/dbraw/zinc/58/87/39/1185588739.db2.gz LNJWRWWSDCAOTL-AWEZNQCLSA-N 2 0 394.541 0.933 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000581324616 1185595664 /nfs/dbraw/zinc/59/56/64/1185595664.db2.gz LAZILCHBMOUBMF-RTBURBONSA-N 2 0 393.576 0.463 20 0 GCADRP C[N@H+](CCNC(=O)C1CC[NH+](CCN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000581372854 1185622644 /nfs/dbraw/zinc/62/26/44/1185622644.db2.gz AZZIMIMHDADMIG-UHFFFAOYSA-N 3 0 387.572 0.852 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000471648978 1185647036 /nfs/dbraw/zinc/64/70/36/1185647036.db2.gz WXRITBBXQBWAAV-OALUTQOASA-N 2 0 378.517 0.747 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430595210 1185666843 /nfs/dbraw/zinc/66/68/43/1185666843.db2.gz HMZAFDBOAQGDOT-GDBMZVCRSA-N 2 0 382.530 0.442 20 0 GCADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891389259 1185674091 /nfs/dbraw/zinc/67/40/91/1185674091.db2.gz XSMXJJZYXDEFFM-BBWFWOEESA-N 2 0 377.489 0.437 20 0 GCADRP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430599305 1185679255 /nfs/dbraw/zinc/67/92/55/1185679255.db2.gz ADPKEBYNTLQWOB-HNNXBMFYSA-N 2 0 396.919 0.964 20 0 GCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581429230 1185687171 /nfs/dbraw/zinc/68/71/71/1185687171.db2.gz CWKSZUYFBKHOID-MSOLQXFVSA-N 2 0 389.544 0.553 20 0 GCADRP C[N@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000891412298 1185711920 /nfs/dbraw/zinc/71/19/20/1185711920.db2.gz JAMATELLHPRZGW-KSZLIROESA-N 2 0 387.484 0.695 20 0 GCADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000581511442 1185734676 /nfs/dbraw/zinc/73/46/76/1185734676.db2.gz MEHVTHOTENZZLM-MSOLQXFVSA-N 2 0 382.549 0.669 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430609575 1185751888 /nfs/dbraw/zinc/75/18/88/1185751888.db2.gz HMSGRNPXDJHYBV-MRXNPFEDSA-N 2 0 391.491 0.261 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)cn2)CC1 ZINC000581545833 1185753676 /nfs/dbraw/zinc/75/36/76/1185753676.db2.gz FISBMYOGEPWHHP-SFHVURJKSA-N 2 0 383.500 0.884 20 0 GCADRP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430610404 1185756688 /nfs/dbraw/zinc/75/66/88/1185756688.db2.gz KRYGVRBVDQLKNU-HNNXBMFYSA-N 2 0 383.514 0.646 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000581571108 1185765025 /nfs/dbraw/zinc/76/50/25/1185765025.db2.gz ZYBGIJXXULWPCI-OALUTQOASA-N 2 0 392.544 0.567 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000581571109 1185765606 /nfs/dbraw/zinc/76/56/06/1185765606.db2.gz ZYBGIJXXULWPCI-RBUKOAKNSA-N 2 0 392.544 0.567 20 0 GCADRP O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000430617906 1185786428 /nfs/dbraw/zinc/78/64/28/1185786428.db2.gz PXKAXPPDNMKJFW-OAHLLOKOSA-N 2 0 388.468 0.888 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000430620687 1185796655 /nfs/dbraw/zinc/79/66/55/1185796655.db2.gz COLSEDINKHJCEU-ROUUACIJSA-N 2 0 386.496 0.250 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000642808244 1185805665 /nfs/dbraw/zinc/80/56/65/1185805665.db2.gz UMBWRRQUPLYVEK-SNRMKQJTSA-N 2 0 388.512 0.588 20 0 GCADRP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430626479 1185811761 /nfs/dbraw/zinc/81/17/61/1185811761.db2.gz LCVOWXOZJOXAIM-SJLPKXTDSA-N 2 0 388.512 0.844 20 0 GCADRP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633004 1185822269 /nfs/dbraw/zinc/82/22/69/1185822269.db2.gz ZTPLXYKSEWZCHR-PMPSAXMXSA-N 2 0 390.484 0.118 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000430634476 1185824793 /nfs/dbraw/zinc/82/47/93/1185824793.db2.gz RXCBGSHWFKQUNL-INIZCTEOSA-N 3 0 393.557 0.179 20 0 GCADRP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+]1CCC(C)CC1 ZINC000891446101 1185825689 /nfs/dbraw/zinc/82/56/89/1185825689.db2.gz LXEKPQGAHYFLBH-VQHPVUNQSA-N 2 0 379.505 0.683 20 0 GCADRP Cc1cc(C(N)=O)cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000656861263 1185841349 /nfs/dbraw/zinc/84/13/49/1185841349.db2.gz OQJRDHQVGYNPNQ-UHFFFAOYSA-N 2 0 384.546 0.988 20 0 GCADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430641931 1185846403 /nfs/dbraw/zinc/84/64/03/1185846403.db2.gz JPEIGVUMEWJMCM-ZIAGYGMSSA-N 2 0 376.457 0.572 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000430643840 1185855457 /nfs/dbraw/zinc/85/54/57/1185855457.db2.gz MMSOVJSJEABEPI-IBGZPJMESA-N 2 0 398.511 0.335 20 0 GCADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645831 1185858217 /nfs/dbraw/zinc/85/82/17/1185858217.db2.gz ORUDSRUAQVNJJX-CABCVRRESA-N 2 0 390.484 0.962 20 0 GCADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430647360 1185862823 /nfs/dbraw/zinc/86/28/23/1185862823.db2.gz XTAFOHADDSJLSJ-QGZVFWFLSA-N 2 0 375.517 0.416 20 0 GCADRP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430648057 1185863185 /nfs/dbraw/zinc/86/31/85/1185863185.db2.gz GNELMTVTFMFEFY-GOSISDBHSA-N 2 0 390.528 0.919 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891483487 1185886750 /nfs/dbraw/zinc/88/67/50/1185886750.db2.gz QJMXKGGCZLWFDW-UONOGXRCSA-N 2 0 375.464 0.473 20 0 GCADRP COc1ccc(C[C@](C)(CO)[NH2+]CC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000933447554 1185897814 /nfs/dbraw/zinc/89/78/14/1185897814.db2.gz FRBBTPCQEIYRNW-HXUWFJFHSA-N 2 0 379.501 0.797 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430658391 1185900160 /nfs/dbraw/zinc/90/01/60/1185900160.db2.gz XKJASKGXNHGVAJ-MSOLQXFVSA-N 2 0 387.528 0.416 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891511626 1185900616 /nfs/dbraw/zinc/90/06/16/1185900616.db2.gz DIALTVPENHHBPU-MSOLQXFVSA-N 2 0 387.532 0.915 20 0 GCADRP COCCC1(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[NH2+]CC1 ZINC000891536328 1185910270 /nfs/dbraw/zinc/91/02/70/1185910270.db2.gz RRXOPKZUYWBLCS-UHFFFAOYSA-N 2 0 383.537 0.387 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C[NH+]1CCCC1 ZINC000581839618 1185910319 /nfs/dbraw/zinc/91/03/19/1185910319.db2.gz QSGIETHGBYJMSE-BHIYHBOVSA-N 2 0 394.560 0.719 20 0 GCADRP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430664905 1185918523 /nfs/dbraw/zinc/91/85/23/1185918523.db2.gz LYTCNRQUVWCDTB-GOSISDBHSA-N 2 0 388.512 0.634 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559237 1185919923 /nfs/dbraw/zinc/91/99/23/1185919923.db2.gz CXWBDIMSGDWGQV-FUHWJXTLSA-N 2 0 379.549 0.613 20 0 GCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559238 1185920450 /nfs/dbraw/zinc/92/04/50/1185920450.db2.gz CXWBDIMSGDWGQV-SJLPKXTDSA-N 2 0 379.549 0.613 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C ZINC000891567434 1185922721 /nfs/dbraw/zinc/92/27/21/1185922721.db2.gz JSZHVAHXTKLNGQ-FZKCQIBNSA-N 2 0 381.521 0.929 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891578908 1185924801 /nfs/dbraw/zinc/92/48/01/1185924801.db2.gz COFAWAPZNNRCSR-NXOAAHMSSA-N 2 0 379.505 0.827 20 0 GCADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665371 1185928130 /nfs/dbraw/zinc/92/81/30/1185928130.db2.gz MQBBUFZYKLKVLB-GOEBONIOSA-N 2 0 387.484 0.256 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000419664914 1185953828 /nfs/dbraw/zinc/95/38/28/1185953828.db2.gz SOKIOMPOOORELD-IRXDYDNUSA-N 2 0 376.501 0.672 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CCCC2)CC1 ZINC000419750878 1185965309 /nfs/dbraw/zinc/96/53/09/1185965309.db2.gz JJUAHCANVYRJHQ-JKSUJKDBSA-N 2 0 380.533 0.912 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419891209 1185977250 /nfs/dbraw/zinc/97/72/50/1185977250.db2.gz IIXHZFJKFIFMBI-ROUUACIJSA-N 2 0 382.549 0.970 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891698008 1185982789 /nfs/dbraw/zinc/98/27/89/1185982789.db2.gz WGOUAVMTNCCCGD-FJIDUMEYSA-N 2 0 393.532 0.931 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430919890 1186053935 /nfs/dbraw/zinc/05/39/35/1186053935.db2.gz MTEPNCFDZYEYOC-HZSPNIEDSA-N 2 0 382.530 0.959 20 0 GCADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430935637 1186058155 /nfs/dbraw/zinc/05/81/55/1186058155.db2.gz UUGABKHJTCEOQC-KBPBESRZSA-N 2 0 382.530 0.440 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430935638 1186058324 /nfs/dbraw/zinc/05/83/24/1186058324.db2.gz UUGABKHJTCEOQC-KGLIPLIRSA-N 2 0 382.530 0.440 20 0 GCADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430956834 1186067317 /nfs/dbraw/zinc/06/73/17/1186067317.db2.gz MJDAYHNYNPFDFF-UONOGXRCSA-N 2 0 382.530 0.831 20 0 GCADRP COCC[C@@]1(C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CC[NH2+]C1 ZINC000431017592 1186104168 /nfs/dbraw/zinc/10/41/68/1186104168.db2.gz RLUORAPBHPDKAD-ICSRJNTNSA-N 2 0 382.549 0.256 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865450 1186107140 /nfs/dbraw/zinc/10/71/40/1186107140.db2.gz PGTRIXDWIGWRNF-XUWVNRHRSA-N 2 0 379.505 0.683 20 0 GCADRP O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891944320 1186177875 /nfs/dbraw/zinc/17/78/75/1186177875.db2.gz OAEFVZXYMQUUDM-BBWFWOEESA-N 2 0 377.489 0.580 20 0 GCADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000891965777 1186250933 /nfs/dbraw/zinc/25/09/33/1186250933.db2.gz HDOKWXIFDDEYBZ-UHFFFAOYSA-N 2 0 376.505 0.860 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000048616235 1186285661 /nfs/dbraw/zinc/28/56/61/1186285661.db2.gz PBQMQIZQXYCBJF-UHFFFAOYSA-N 2 0 391.516 0.765 20 0 GCADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812128 1186322040 /nfs/dbraw/zinc/32/20/40/1186322040.db2.gz YKSJHHBIVBTFBO-UHFFFAOYSA-N 2 0 375.517 0.483 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000892106227 1186344543 /nfs/dbraw/zinc/34/45/43/1186344543.db2.gz BMIIXKBQXZMOGN-VWYCJHECSA-N 2 0 391.360 0.601 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892107446 1186345484 /nfs/dbraw/zinc/34/54/84/1186345484.db2.gz JWVGOQGYYAFEDS-JKSUJKDBSA-N 2 0 385.434 0.836 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000130523063 1186364937 /nfs/dbraw/zinc/36/49/37/1186364937.db2.gz LDLOJTAPIOMMNB-UHFFFAOYSA-N 2 0 386.500 0.822 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000582203710 1186462740 /nfs/dbraw/zinc/46/27/40/1186462740.db2.gz QCCZDIGNWWEFFJ-OTWHNJEPSA-N 2 0 392.544 0.567 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000582256238 1186476359 /nfs/dbraw/zinc/47/63/59/1186476359.db2.gz KCKFZCPLHZQPTQ-MOPGFXCFSA-N 2 0 395.592 0.613 20 0 GCADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC1 ZINC000582252538 1186478418 /nfs/dbraw/zinc/47/84/18/1186478418.db2.gz KFBVXPMNEPSPKQ-ROUUACIJSA-N 2 0 385.512 0.995 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582357908 1186502998 /nfs/dbraw/zinc/50/29/98/1186502998.db2.gz VDMLBQDXKDWERE-QGZVFWFLSA-N 3 0 398.515 0.367 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582360839 1186503592 /nfs/dbraw/zinc/50/35/92/1186503592.db2.gz UGINYCKWRGDATH-DLBZAZTESA-N 2 0 394.541 0.314 20 0 GCADRP O=C(CC[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)NC(=O)NCC(F)(F)F ZINC000562969026 1186526486 /nfs/dbraw/zinc/52/64/86/1186526486.db2.gz ZYOQNPWAHRQIEE-UHFFFAOYSA-N 2 0 388.394 0.901 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000892263027 1186536398 /nfs/dbraw/zinc/53/63/98/1186536398.db2.gz KDSIFFOLTBDNQI-TZMCWYRMSA-N 2 0 393.454 0.756 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000888980444 1186565989 /nfs/dbraw/zinc/56/59/89/1186565989.db2.gz BZLHPUHJDWFVNM-PMACEKPBSA-N 2 0 390.576 0.940 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627357775 1186571804 /nfs/dbraw/zinc/57/18/04/1186571804.db2.gz PQZAISJXGPJTRN-UONOGXRCSA-N 2 0 378.439 0.820 20 0 GCADRP CN1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@H+](C)CC1 ZINC000888980835 1186578718 /nfs/dbraw/zinc/57/87/18/1186578718.db2.gz RLLCMMKLJLMMQC-INIZCTEOSA-N 2 0 385.553 0.537 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582595612 1186579212 /nfs/dbraw/zinc/57/92/12/1186579212.db2.gz OKWMSHCDMPKENI-ZWKOTPCHSA-N 2 0 377.533 0.928 20 0 GCADRP COCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073439458 1186598987 /nfs/dbraw/zinc/59/89/87/1186598987.db2.gz RYLAVLQDCVGGAF-SFHVURJKSA-N 2 0 375.517 0.821 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCCC[C@H]1C ZINC000582701990 1186616829 /nfs/dbraw/zinc/61/68/29/1186616829.db2.gz WTXWPGQABFZAHM-HZPDHXFCSA-N 2 0 390.532 1.467 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000075007467 1186628259 /nfs/dbraw/zinc/62/82/59/1186628259.db2.gz UHKAMYQBPMSFOV-QGZVFWFLSA-N 2 0 382.549 0.888 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000075007466 1186628377 /nfs/dbraw/zinc/62/83/77/1186628377.db2.gz UHKAMYQBPMSFOV-KRWDZBQOSA-N 2 0 382.549 0.888 20 0 GCADRP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1CCOC ZINC000582740176 1186646373 /nfs/dbraw/zinc/64/63/73/1186646373.db2.gz HZUYDZPAAZTTGJ-SJLPKXTDSA-N 2 0 380.533 0.546 20 0 GCADRP Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000582784371 1186670176 /nfs/dbraw/zinc/67/01/76/1186670176.db2.gz UOJOTWKMQHOFCB-UHFFFAOYSA-N 2 0 396.495 0.730 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000564496516 1186683048 /nfs/dbraw/zinc/68/30/48/1186683048.db2.gz LQRHUWDIYUEUIP-QGZVFWFLSA-N 2 0 392.544 0.856 20 0 GCADRP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642921700 1186684881 /nfs/dbraw/zinc/68/48/81/1186684881.db2.gz RQRXLNHLWSMTBA-OALUTQOASA-N 2 0 387.528 0.430 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582895919 1186724694 /nfs/dbraw/zinc/72/46/94/1186724694.db2.gz WCXIHMKGLBQQFK-ZWKOTPCHSA-N 2 0 387.528 0.409 20 0 GCADRP C[N@H+](CCO)C1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000161601694 1186725762 /nfs/dbraw/zinc/72/57/62/1186725762.db2.gz BHRYIACFFXKMSQ-UHFFFAOYSA-N 2 0 390.532 0.432 20 0 GCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000121828818 1186744218 /nfs/dbraw/zinc/74/42/18/1186744218.db2.gz WIWVOFROYMQTSJ-OAQYLSRUSA-N 2 0 391.560 0.806 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000583041580 1186755429 /nfs/dbraw/zinc/75/54/29/1186755429.db2.gz IWVIZRNQFNASQU-PKOBYXMFSA-N 2 0 394.560 0.936 20 0 GCADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000892329061 1186788790 /nfs/dbraw/zinc/78/87/90/1186788790.db2.gz XZKVOLSQAXTILK-MOPGFXCFSA-N 2 0 399.495 0.799 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000583194947 1186793753 /nfs/dbraw/zinc/79/37/53/1186793753.db2.gz YCIIETUKAJKGLT-SFHVURJKSA-N 2 0 393.576 0.463 20 0 GCADRP C[C@H](C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)S(C)(=O)=O ZINC000583199442 1186793802 /nfs/dbraw/zinc/79/38/02/1186793802.db2.gz OUZKYVGDETULAR-HUUCEWRRSA-N 2 0 383.518 0.305 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CCN2C1=O ZINC000569623792 1186797455 /nfs/dbraw/zinc/79/74/55/1186797455.db2.gz TVKJLNFEBQANPC-RRFJBIMHSA-N 2 0 377.514 0.838 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458450443 1186807438 /nfs/dbraw/zinc/80/74/38/1186807438.db2.gz ZNFIWVLBISTZIS-QGZVFWFLSA-N 2 0 396.580 0.289 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC000583340550 1186830945 /nfs/dbraw/zinc/83/09/45/1186830945.db2.gz QNMWOOYQSWAPQS-JZXOWHBKSA-N 2 0 378.517 0.156 20 0 GCADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392501 1186844259 /nfs/dbraw/zinc/84/42/59/1186844259.db2.gz IKEJGSASJRVWCX-CEXWTWQISA-N 2 0 385.512 0.504 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000583558916 1186885859 /nfs/dbraw/zinc/88/58/59/1186885859.db2.gz VYGYQWBUYPBFTQ-JFRXWTBNSA-N 2 0 392.544 0.545 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472298370 1186920333 /nfs/dbraw/zinc/92/03/33/1186920333.db2.gz WWYAUFJGDPTWHZ-SFHVURJKSA-N 2 0 390.532 0.558 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000583766364 1186935006 /nfs/dbraw/zinc/93/50/06/1186935006.db2.gz HCWVGTINOSKRPH-OKZBNKHCSA-N 2 0 390.528 0.812 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778180 1186937242 /nfs/dbraw/zinc/93/72/42/1186937242.db2.gz GIQUVWUSUZAREV-APWZRJJASA-N 2 0 391.560 0.071 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000583802546 1186942386 /nfs/dbraw/zinc/94/23/86/1186942386.db2.gz DDBHJHZBFVHGSF-HOTGVXAUSA-N 2 0 381.546 0.349 20 0 GCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000583834845 1186949731 /nfs/dbraw/zinc/94/97/31/1186949731.db2.gz CJRBAGXDGCDERQ-ROUUACIJSA-N 2 0 380.533 0.469 20 0 GCADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458767589 1186982124 /nfs/dbraw/zinc/98/21/24/1186982124.db2.gz DCUGJKPTVSSOQZ-KRWDZBQOSA-N 2 0 379.505 0.668 20 0 GCADRP COc1ccccc1N1CC[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1=O ZINC000151597938 1186997562 /nfs/dbraw/zinc/99/75/62/1186997562.db2.gz AONIGTRKFYUZIC-SFHVURJKSA-N 2 0 390.528 0.780 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000892369976 1187002256 /nfs/dbraw/zinc/00/22/56/1187002256.db2.gz MMNOQDAQQAABSG-UHFFFAOYSA-N 2 0 376.505 0.089 20 0 GCADRP CC1(C)CC[C@@H](CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)[NH2+]C1 ZINC000892377547 1187041195 /nfs/dbraw/zinc/04/11/95/1187041195.db2.gz KRCUFXRJIHSBEI-IMJJTQAJSA-N 2 0 379.505 0.731 20 0 GCADRP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000584375531 1187043713 /nfs/dbraw/zinc/04/37/13/1187043713.db2.gz XAFNIYHKLOPUPN-UHFFFAOYSA-N 2 0 393.532 0.953 20 0 GCADRP CN1C(=O)C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000584386776 1187046952 /nfs/dbraw/zinc/04/69/52/1187046952.db2.gz PJIGNOUSXOUITM-BJZITVGISA-N 2 0 382.455 0.435 20 0 GCADRP C[NH+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000643353531 1187050420 /nfs/dbraw/zinc/05/04/20/1187050420.db2.gz IVEVBVKZUTVTGO-DLBZAZTESA-N 2 0 380.533 0.425 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685304096 1187059676 /nfs/dbraw/zinc/05/96/76/1187059676.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 2 0 391.560 0.212 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685306299 1187062490 /nfs/dbraw/zinc/06/24/90/1187062490.db2.gz AUNIYSMRYYUITI-SOLBZPMBSA-N 2 0 378.517 0.156 20 0 GCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000563912367 1187087422 /nfs/dbraw/zinc/08/74/22/1187087422.db2.gz RLNFYOZOKKPONY-NJAFHUGGSA-N 2 0 380.533 0.423 20 0 GCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000563912366 1187087651 /nfs/dbraw/zinc/08/76/51/1187087651.db2.gz RLNFYOZOKKPONY-KBAYOESNSA-N 2 0 380.533 0.423 20 0 GCADRP [NH3+][C@H](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000892412225 1187203177 /nfs/dbraw/zinc/20/31/77/1187203177.db2.gz ATTUKEPPDPXHBE-TVFCKZIOSA-N 2 0 387.484 0.523 20 0 GCADRP [NH3+][C@@H](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000892412219 1187203428 /nfs/dbraw/zinc/20/34/28/1187203428.db2.gz ATTUKEPPDPXHBE-MLHJIOFPSA-N 2 0 387.484 0.523 20 0 GCADRP [NH3+][C@H](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000892412230 1187203542 /nfs/dbraw/zinc/20/35/42/1187203542.db2.gz ATTUKEPPDPXHBE-XDNAFOTISA-N 2 0 387.484 0.523 20 0 GCADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001023972327 1187204052 /nfs/dbraw/zinc/20/40/52/1187204052.db2.gz PVXUOWVVIAFRMB-VDHUWJSZSA-N 2 0 380.533 0.135 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000612046033 1187245000 /nfs/dbraw/zinc/24/50/00/1187245000.db2.gz XWSGDMCAKPYCHY-SQNIBIBYSA-N 2 0 378.517 0.489 20 0 GCADRP Cn1cc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)NC(=O)[C@@H]2CCCC[NH+]2C)cn1 ZINC000635725222 1187318666 /nfs/dbraw/zinc/31/86/66/1187318666.db2.gz KYWDQIDQIMACDV-BZSNNMDCSA-N 2 0 390.532 0.662 20 0 GCADRP Cc1nc2ccc(NC(=O)C(=O)N(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cn2n1 ZINC000685736231 1187387179 /nfs/dbraw/zinc/38/71/79/1187387179.db2.gz ZNJCLVZTABLJMI-QGZVFWFLSA-N 2 0 399.499 0.603 20 0 GCADRP COc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc(OC)c1OCC(N)=O ZINC000030664482 1187437536 /nfs/dbraw/zinc/43/75/36/1187437536.db2.gz YYMLWCXXWLVIJL-UHFFFAOYSA-N 2 0 394.516 0.684 20 0 GCADRP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(F)(F)F)CC[NH+]1C ZINC000612465589 1187499233 /nfs/dbraw/zinc/49/92/33/1187499233.db2.gz OVWMANYTJKZQDH-DHGKCCLASA-N 2 0 378.439 0.830 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000612544171 1187518145 /nfs/dbraw/zinc/51/81/45/1187518145.db2.gz WJIFXJWRUONCDF-SFHVURJKSA-N 2 0 393.576 0.606 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000612549450 1187520141 /nfs/dbraw/zinc/52/01/41/1187520141.db2.gz ZDJWPXSDHFVMFI-HNNXBMFYSA-N 2 0 375.473 0.339 20 0 GCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000612544539 1187522034 /nfs/dbraw/zinc/52/20/34/1187522034.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 2 0 379.549 0.214 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612547120 1187522957 /nfs/dbraw/zinc/52/29/57/1187522957.db2.gz ZVAAHORTGYOYPX-GOSISDBHSA-N 2 0 393.576 0.463 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595271 1187535768 /nfs/dbraw/zinc/53/57/68/1187535768.db2.gz FXFRUHKCSNXCPU-SQNIBIBYSA-N 2 0 378.517 0.441 20 0 GCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597001 1187536123 /nfs/dbraw/zinc/53/61/23/1187536123.db2.gz ZKTFAFSTBAEORW-MJGOQNOKSA-N 2 0 392.544 0.546 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000612598321 1187538498 /nfs/dbraw/zinc/53/84/98/1187538498.db2.gz BUQHVVWXLNMAOQ-ZWKOTPCHSA-N 2 0 378.517 0.443 20 0 GCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612598104 1187538508 /nfs/dbraw/zinc/53/85/08/1187538508.db2.gz RAYRBATZTFBWRK-IBGZPJMESA-N 2 0 394.560 0.936 20 0 GCADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000612598154 1187538713 /nfs/dbraw/zinc/53/87/13/1187538713.db2.gz SFLCVVSFTGYAEG-HKUYNNGSSA-N 2 0 392.544 0.546 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000612599333 1187538774 /nfs/dbraw/zinc/53/87/74/1187538774.db2.gz TUUAPRKVKVBSAC-IBGZPJMESA-N 2 0 392.544 0.833 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000612599095 1187538839 /nfs/dbraw/zinc/53/88/39/1187538839.db2.gz OTOUSOGJKXUGCY-OALUTQOASA-N 2 0 392.544 0.833 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000612600589 1187539333 /nfs/dbraw/zinc/53/93/33/1187539333.db2.gz IKNVYCPDLUXQOO-SOLBZPMBSA-N 2 0 380.533 0.593 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000612600471 1187539643 /nfs/dbraw/zinc/53/96/43/1187539643.db2.gz INLVFRCGXDODFN-IBGZPJMESA-N 2 0 392.544 0.833 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000612600586 1187539675 /nfs/dbraw/zinc/53/96/75/1187539675.db2.gz IKNVYCPDLUXQOO-NUJGCVRESA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000612602442 1187539969 /nfs/dbraw/zinc/53/99/69/1187539969.db2.gz XVSDQXMAQNHSPZ-WMZOPIPTSA-N 2 0 380.533 0.594 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612604693 1187540779 /nfs/dbraw/zinc/54/07/79/1187540779.db2.gz UGXICAIJLLNIDP-QGZVFWFLSA-N 2 0 380.533 0.689 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@@H](C)O1 ZINC000612782945 1187583139 /nfs/dbraw/zinc/58/31/39/1187583139.db2.gz WKCVGGNWDWKSSQ-IAGOWNOFSA-N 2 0 394.560 0.840 20 0 GCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880791 1187611319 /nfs/dbraw/zinc/61/13/19/1187611319.db2.gz JYQBCUQAULKCFT-HOTGVXAUSA-N 2 0 387.532 0.945 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924122 1187619524 /nfs/dbraw/zinc/61/95/24/1187619524.db2.gz NOQSQWYYTJSUFR-JKSUJKDBSA-N 2 0 391.520 0.087 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612920498 1187620191 /nfs/dbraw/zinc/62/01/91/1187620191.db2.gz HRVRTYCQPDXROV-ARFHVFGLSA-N 2 0 375.521 0.978 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000173132921 1187717713 /nfs/dbraw/zinc/71/77/13/1187717713.db2.gz HDTNITWUGIEAOE-IBGZPJMESA-N 2 0 382.549 0.792 20 0 GCADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000589035800 1187726364 /nfs/dbraw/zinc/72/63/64/1187726364.db2.gz NTQGLLXLJJUTJJ-RCCFBDPRSA-N 2 0 379.549 0.070 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@H](c2cnn(C)c2)C1 ZINC000376353877 1187786595 /nfs/dbraw/zinc/78/65/95/1187786595.db2.gz RCGJKLNKBNHFQY-SFHVURJKSA-N 2 0 392.548 0.816 20 0 GCADRP CC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+]1C[C@H](C)O ZINC000332866440 1187798079 /nfs/dbraw/zinc/79/80/79/1187798079.db2.gz NFPWTJJBMOQNSN-JCHJZTRSSA-N 2 0 382.549 0.851 20 0 GCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659020857 1187844277 /nfs/dbraw/zinc/84/42/77/1187844277.db2.gz BVDSLJQPKLQDGK-INIZCTEOSA-N 2 0 375.477 0.261 20 0 GCADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659020860 1187844367 /nfs/dbraw/zinc/84/43/67/1187844367.db2.gz BVDSLJQPKLQDGK-MRXNPFEDSA-N 2 0 375.477 0.261 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000659096731 1187877270 /nfs/dbraw/zinc/87/72/70/1187877270.db2.gz GQXJANRWSAHKNB-UHFFFAOYSA-N 2 0 389.500 0.518 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892651389 1187882493 /nfs/dbraw/zinc/88/24/93/1187882493.db2.gz YCHHLRCTUDKONL-BZSNNMDCSA-N 2 0 395.548 0.170 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)n1 ZINC000659111417 1187886270 /nfs/dbraw/zinc/88/62/70/1187886270.db2.gz GMSDQHHPXWUVHU-UHFFFAOYSA-N 2 0 398.467 0.534 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000659110879 1187886690 /nfs/dbraw/zinc/88/66/90/1187886690.db2.gz DKXNCNBQPDFWLY-RHSMWYFYSA-N 2 0 389.500 0.515 20 0 GCADRP CCCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647566781 1187894171 /nfs/dbraw/zinc/89/41/71/1187894171.db2.gz BTMGSQNESRAIEW-QZTJIDSGSA-N 2 0 382.549 0.888 20 0 GCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000647595386 1187905388 /nfs/dbraw/zinc/90/53/88/1187905388.db2.gz CXPMJRLBKUDVHZ-CABCVRRESA-N 2 0 376.501 0.502 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423498015 1187915507 /nfs/dbraw/zinc/91/55/07/1187915507.db2.gz AWZCDMCSUMUZDW-ROUUACIJSA-N 2 0 381.565 0.460 20 0 GCADRP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659246425 1187919626 /nfs/dbraw/zinc/91/96/26/1187919626.db2.gz KBHJKMLDESLWTP-ZDUSSCGKSA-N 2 0 375.452 0.619 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000642959499 1187942126 /nfs/dbraw/zinc/94/21/26/1187942126.db2.gz BRZJMARDAVACPK-XJNFMUPTSA-N 2 0 378.517 0.691 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659345103 1187945224 /nfs/dbraw/zinc/94/52/24/1187945224.db2.gz ZKYNLWOWIZWBFH-IBGZPJMESA-N 2 0 393.576 0.558 20 0 GCADRP NC(=O)c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000892680479 1187947975 /nfs/dbraw/zinc/94/79/75/1187947975.db2.gz ZHQGTUJHZCPPKU-IAGOWNOFSA-N 2 0 395.511 0.477 20 0 GCADRP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)C1 ZINC000659534507 1187968120 /nfs/dbraw/zinc/96/81/20/1187968120.db2.gz AHVXZSGCIIRURT-GHTZIAJQSA-N 2 0 391.560 0.169 20 0 GCADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659541149 1187968486 /nfs/dbraw/zinc/96/84/86/1187968486.db2.gz ZTMLIVDUJSIESJ-CABCVRRESA-N 2 0 393.454 0.375 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000659552184 1187969732 /nfs/dbraw/zinc/96/97/32/1187969732.db2.gz ODKWADSBGCIXCL-XJKSGUPXSA-N 2 0 388.447 0.973 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659588895 1187974198 /nfs/dbraw/zinc/97/41/98/1187974198.db2.gz JRGZQPUGLSVLON-CGTJXYLNSA-N 2 0 391.491 0.768 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C)cc1OC ZINC000659673790 1187991359 /nfs/dbraw/zinc/99/13/59/1187991359.db2.gz NRVHJBRFHDSFIL-AWEZNQCLSA-N 2 0 380.489 0.618 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659674574 1187993775 /nfs/dbraw/zinc/99/37/75/1187993775.db2.gz NBBBJJGRNFLLPQ-UHFFFAOYSA-N 2 0 375.517 0.116 20 0 GCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659674371 1187993897 /nfs/dbraw/zinc/99/38/97/1187993897.db2.gz GOYLZEWOCRPBER-ZDUSSCGKSA-N 2 0 392.504 0.274 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCO1 ZINC000659676841 1187995059 /nfs/dbraw/zinc/99/50/59/1187995059.db2.gz JQSGNDNLWYHXSG-IEBWSBKVSA-N 2 0 394.560 0.842 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCCCCC1 ZINC000659685916 1187996747 /nfs/dbraw/zinc/99/67/47/1187996747.db2.gz VXUWRKMMYUBADL-HNNXBMFYSA-N 2 0 392.504 0.274 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCCCCC1 ZINC000659685917 1187997028 /nfs/dbraw/zinc/99/70/28/1187997028.db2.gz VXUWRKMMYUBADL-OAHLLOKOSA-N 2 0 392.504 0.274 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000659686814 1187997506 /nfs/dbraw/zinc/99/75/06/1187997506.db2.gz KGFYZLCLCIDHET-MRXNPFEDSA-N 2 0 398.467 0.038 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000659696834 1188001425 /nfs/dbraw/zinc/00/14/25/1188001425.db2.gz ROWSYSQBLBUVFN-UHFFFAOYSA-N 3 0 388.516 0.098 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1 ZINC000659702237 1188005248 /nfs/dbraw/zinc/00/52/48/1188005248.db2.gz MVOBSEXFVWCSJJ-UHFFFAOYSA-N 2 0 388.512 0.647 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000659709018 1188007417 /nfs/dbraw/zinc/00/74/17/1188007417.db2.gz DBDPJOSXKDTZMZ-UHFFFAOYSA-N 2 0 397.564 0.328 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000376636300 1188012516 /nfs/dbraw/zinc/01/25/16/1188012516.db2.gz GLXUMWVDUZDPCK-UYAOXDASSA-N 2 0 379.593 0.933 20 0 GCADRP CC[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659729934 1188015290 /nfs/dbraw/zinc/01/52/90/1188015290.db2.gz QOUQFHVIORMKBZ-OALUTQOASA-N 2 0 387.528 0.996 20 0 GCADRP CC(C)[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659730769 1188016921 /nfs/dbraw/zinc/01/69/21/1188016921.db2.gz VCZWJGUBBMYLGK-LJQANCHMSA-N 2 0 387.528 0.866 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659739519 1188018108 /nfs/dbraw/zinc/01/81/08/1188018108.db2.gz WQEMTJQWHLPCOV-HKUYNNGSSA-N 2 0 392.544 0.594 20 0 GCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659739323 1188018230 /nfs/dbraw/zinc/01/82/30/1188018230.db2.gz QVDFYNJPEDHMSM-IBGZPJMESA-N 2 0 388.512 0.734 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000659740192 1188018693 /nfs/dbraw/zinc/01/86/93/1188018693.db2.gz FXGOULAVXQCUDY-YTQUADARSA-N 2 0 394.560 0.968 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000659739750 1188019356 /nfs/dbraw/zinc/01/93/56/1188019356.db2.gz ZNDJWBMKXFQTTH-ROUUACIJSA-N 2 0 378.517 0.347 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000415297487 1188024498 /nfs/dbraw/zinc/02/44/98/1188024498.db2.gz VCSUEFKFOMDXST-OAHLLOKOSA-N 2 0 375.473 0.256 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415316117 1188031934 /nfs/dbraw/zinc/03/19/34/1188031934.db2.gz NIDXWNQADFMFRL-QGZVFWFLSA-N 2 0 389.500 0.565 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)cc1Cl ZINC000415322483 1188037220 /nfs/dbraw/zinc/03/72/20/1188037220.db2.gz FJWURITVRICAJU-UHFFFAOYSA-N 2 0 397.907 0.240 20 0 GCADRP CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)ccc1OC ZINC000415323041 1188038222 /nfs/dbraw/zinc/03/82/22/1188038222.db2.gz FUKHVIZNVLVXIV-OAHLLOKOSA-N 2 0 378.473 0.832 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415328623 1188039715 /nfs/dbraw/zinc/03/97/15/1188039715.db2.gz JKBHIHCSDYXEDN-SFHVURJKSA-N 2 0 387.528 0.878 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000472781545 1188047857 /nfs/dbraw/zinc/04/78/57/1188047857.db2.gz CGZVHNYKNLUNQT-MSOLQXFVSA-N 2 0 396.580 0.254 20 0 GCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000415348156 1188056906 /nfs/dbraw/zinc/05/69/06/1188056906.db2.gz ABBGZLYDZADAGT-AWEZNQCLSA-N 2 0 379.892 0.980 20 0 GCADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000415364288 1188059736 /nfs/dbraw/zinc/05/97/36/1188059736.db2.gz RUELQKGAHBXTHP-CQSZACIVSA-N 2 0 389.456 0.305 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415384371 1188067832 /nfs/dbraw/zinc/06/78/32/1188067832.db2.gz YRDRKHYCYDTJFG-AWEZNQCLSA-N 2 0 377.489 0.629 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000415419246 1188076299 /nfs/dbraw/zinc/07/62/99/1188076299.db2.gz PVOOTQZWLZSMOT-CQSZACIVSA-N 2 0 377.489 0.502 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415420506 1188077079 /nfs/dbraw/zinc/07/70/79/1188077079.db2.gz SPQWYQWCSDHPHY-CQSZACIVSA-N 2 0 377.489 0.581 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415441829 1188081328 /nfs/dbraw/zinc/08/13/28/1188081328.db2.gz PKBRWIBHNSAHRX-MRXNPFEDSA-N 2 0 391.516 0.875 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415456809 1188085517 /nfs/dbraw/zinc/08/55/17/1188085517.db2.gz WYHDWTUJJDXOEK-AEFFLSMTSA-N 2 0 387.528 0.958 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000415468949 1188087426 /nfs/dbraw/zinc/08/74/26/1188087426.db2.gz WJAGKXQCLRYNGY-LPHOPBHVSA-N 2 0 387.528 0.958 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415478043 1188089100 /nfs/dbraw/zinc/08/91/00/1188089100.db2.gz YKNAQLDTMWDEAM-UHFFFAOYSA-N 2 0 391.472 0.728 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415490329 1188091547 /nfs/dbraw/zinc/09/15/47/1188091547.db2.gz CFBFTDASLJGJLE-CQSZACIVSA-N 2 0 391.472 0.728 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000415574214 1188110164 /nfs/dbraw/zinc/11/01/64/1188110164.db2.gz CZZYAOZJBXNHNL-IHPCNDPISA-N 2 0 399.539 0.958 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000415602359 1188120989 /nfs/dbraw/zinc/12/09/89/1188120989.db2.gz RIUHQJZWADWJTD-CQSZACIVSA-N 2 0 375.473 0.903 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1Cl ZINC000415606402 1188123356 /nfs/dbraw/zinc/12/33/56/1188123356.db2.gz YXEYUFDHLSLJPE-ZDUSSCGKSA-N 2 0 384.864 0.405 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415668658 1188137487 /nfs/dbraw/zinc/13/74/87/1188137487.db2.gz CZJYOGNFNBAJAK-HDICACEKSA-N 2 0 385.512 0.440 20 0 GCADRP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1nc(C(N)=O)cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000893077650 1188137913 /nfs/dbraw/zinc/13/79/13/1188137913.db2.gz BNDXWAVQYVAKMK-CBBWQLFWSA-N 2 0 375.521 0.633 20 0 GCADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415713294 1188147309 /nfs/dbraw/zinc/14/73/09/1188147309.db2.gz RYBXCFRKRQVKTK-FQEVSTJZSA-N 2 0 399.539 0.770 20 0 GCADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415725565 1188151824 /nfs/dbraw/zinc/15/18/24/1188151824.db2.gz NBQAFLYMTRHTJA-HXUWFJFHSA-N 2 0 399.539 0.770 20 0 GCADRP Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000415755515 1188157464 /nfs/dbraw/zinc/15/74/64/1188157464.db2.gz CJRFTSDBYKYEIV-BWTSREIZSA-N 2 0 385.512 0.798 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415754436 1188158826 /nfs/dbraw/zinc/15/88/26/1188158826.db2.gz ZMLDPMDQOKVLRC-MSOLQXFVSA-N 2 0 385.512 0.440 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415778186 1188162762 /nfs/dbraw/zinc/16/27/62/1188162762.db2.gz JGAAUPVHAFMHBO-MJGOQNOKSA-N 2 0 385.512 0.583 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896739 1188165455 /nfs/dbraw/zinc/16/54/55/1188165455.db2.gz AHMBOIRVGQQREP-OALUTQOASA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+](C)C[C@@H]1CCN(c2nc(NC3CC3)nc(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000893118754 1189373187 /nfs/dbraw/zinc/37/31/87/1189373187.db2.gz JKWCUERVBLGHMD-IYBDPMFKSA-N 2 0 388.564 0.644 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000415834386 1189378252 /nfs/dbraw/zinc/37/82/52/1189378252.db2.gz ALHPDZVXKBMSSL-HUUCEWRRSA-N 2 0 389.500 0.959 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000415843665 1189378788 /nfs/dbraw/zinc/37/87/88/1189378788.db2.gz YJHRLYXRZYPAKC-GOSISDBHSA-N 2 0 392.500 0.840 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000584543776 1189387687 /nfs/dbraw/zinc/38/76/87/1189387687.db2.gz YVDDFLNZMQASQM-UHFFFAOYSA-N 2 0 380.533 0.738 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415866717 1189388252 /nfs/dbraw/zinc/38/82/52/1189388252.db2.gz OMVLZQYPTQDEET-KRWDZBQOSA-N 2 0 392.525 0.321 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000652693091 1189470536 /nfs/dbraw/zinc/47/05/36/1189470536.db2.gz LZYITVLZDYCIEJ-SCTDSRPQSA-N 2 0 392.544 0.722 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[NH+]4CCN3CCC4)cc2)C1 ZINC000378320659 1189475086 /nfs/dbraw/zinc/47/50/86/1189475086.db2.gz VOEDIVLGSHRSPN-HKUYNNGSSA-N 2 0 385.512 0.712 20 0 GCADRP CC(C)O[C@@]1(CS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CCOC1 ZINC000659951908 1189482582 /nfs/dbraw/zinc/48/25/82/1189482582.db2.gz OYWXUFLNOUTWDD-SFHVURJKSA-N 2 0 391.578 0.858 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000378526453 1189527707 /nfs/dbraw/zinc/52/77/07/1189527707.db2.gz NTQJNIGINCEYLT-GBESFXJTSA-N 2 0 379.549 0.519 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000416836181 1189587950 /nfs/dbraw/zinc/58/79/50/1189587950.db2.gz GJYXELHADORIKT-LJQANCHMSA-N 2 0 375.517 0.482 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC000416935138 1189598420 /nfs/dbraw/zinc/59/84/20/1189598420.db2.gz AKEBZJLGQUUUKW-ZACQAIPSSA-N 2 0 383.537 0.515 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000416935136 1189598792 /nfs/dbraw/zinc/59/87/92/1189598792.db2.gz AKEBZJLGQUUUKW-IXDOHACOSA-N 2 0 383.537 0.515 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000416975710 1189603088 /nfs/dbraw/zinc/60/30/88/1189603088.db2.gz ZPHURIBOIFCKFO-KRWDZBQOSA-N 2 0 391.516 0.624 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000416981624 1189605278 /nfs/dbraw/zinc/60/52/78/1189605278.db2.gz CTGQTESTCUZRLZ-HXUWFJFHSA-N 2 0 388.560 0.527 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364000397 1189608129 /nfs/dbraw/zinc/60/81/29/1189608129.db2.gz FWNGZGZTDKIYJD-ZWKOTPCHSA-N 2 0 381.565 0.813 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000417028685 1189609601 /nfs/dbraw/zinc/60/96/01/1189609601.db2.gz UWZJYQNSSHSWIO-LJQANCHMSA-N 2 0 375.517 0.563 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)N(CC[NH3+])CCO)CC2)c1 ZINC000417051216 1189611325 /nfs/dbraw/zinc/61/13/25/1189611325.db2.gz NAKGKWDUFDPENB-UHFFFAOYSA-N 2 0 377.533 0.860 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@H]3C[NH2+]CCN3C)CC2)c1 ZINC000417053338 1189611748 /nfs/dbraw/zinc/61/17/48/1189611748.db2.gz RWZYZFQVHIJBAG-HXUWFJFHSA-N 2 0 388.560 0.710 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000417047002 1189612491 /nfs/dbraw/zinc/61/24/91/1189612491.db2.gz BUOQCLHMMJYGNR-IBGZPJMESA-N 2 0 375.517 0.795 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000417045830 1189612650 /nfs/dbraw/zinc/61/26/50/1189612650.db2.gz AJHANTBLZROMRI-IBGZPJMESA-N 2 0 375.517 0.876 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCCC1 ZINC000584669861 1189621213 /nfs/dbraw/zinc/62/12/13/1189621213.db2.gz RFLMQHPMLOZBTK-QGZVFWFLSA-N 2 0 380.533 0.596 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCCC1 ZINC000584669860 1189621397 /nfs/dbraw/zinc/62/13/97/1189621397.db2.gz RFLMQHPMLOZBTK-KRWDZBQOSA-N 2 0 380.533 0.596 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)NCc2ccccc2OCCN2CCOCC2)CCCO1 ZINC000417319401 1189645996 /nfs/dbraw/zinc/64/59/96/1189645996.db2.gz NJWZQLYRRVZHDX-GOSISDBHSA-N 2 0 392.500 0.657 20 0 GCADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612917592 1189649763 /nfs/dbraw/zinc/64/97/63/1189649763.db2.gz HGVHAAGGENLPHY-HOTGVXAUSA-N 2 0 375.521 0.850 20 0 GCADRP C[C@@H]1[NH2+]CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H]1C ZINC000417519670 1189675689 /nfs/dbraw/zinc/67/56/89/1189675689.db2.gz VNUWNDVEBHUNPN-IRXDYDNUSA-N 2 0 375.521 0.771 20 0 GCADRP [NH3+]CC[C@H](NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(F)F ZINC000417519963 1189676296 /nfs/dbraw/zinc/67/62/96/1189676296.db2.gz WLZZWLNGCFTJRS-AWEZNQCLSA-N 2 0 385.463 0.661 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000417514656 1189676627 /nfs/dbraw/zinc/67/66/27/1189676627.db2.gz JWKPICSVMBRJQF-QGZVFWFLSA-N 2 0 375.521 0.820 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000417512891 1189676802 /nfs/dbraw/zinc/67/68/02/1189676802.db2.gz IHKFSTABYTVWBB-KRWDZBQOSA-N 2 0 375.521 0.772 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000417525672 1189678806 /nfs/dbraw/zinc/67/88/06/1189678806.db2.gz LXRKKMQIFCPTFE-IBGZPJMESA-N 2 0 389.544 0.859 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000364165364 1189687484 /nfs/dbraw/zinc/68/74/84/1189687484.db2.gz PYSKJTPJTUHALT-IRXDYDNUSA-N 2 0 381.521 0.045 20 0 GCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000636535468 1189712414 /nfs/dbraw/zinc/71/24/14/1189712414.db2.gz DEHRXRNAJDJADM-LJQANCHMSA-N 2 0 375.517 0.300 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000660342763 1189721848 /nfs/dbraw/zinc/72/18/48/1189721848.db2.gz UGZOFGKWGRITAT-MJGOQNOKSA-N 2 0 392.544 0.785 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000660342472 1189722524 /nfs/dbraw/zinc/72/25/24/1189722524.db2.gz DQANHXSWESAINW-IAGOWNOFSA-N 2 0 380.533 0.687 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000660353433 1189732722 /nfs/dbraw/zinc/73/27/22/1189732722.db2.gz DQANHXSWESAINW-IRXDYDNUSA-N 2 0 380.533 0.687 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000418283678 1189747124 /nfs/dbraw/zinc/74/71/24/1189747124.db2.gz AJXZPYGRTGXPEJ-QZTJIDSGSA-N 2 0 381.565 0.813 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418287674 1189748447 /nfs/dbraw/zinc/74/84/47/1189748447.db2.gz KXUVCPNBWCHZRO-FQEVSTJZSA-N 2 0 375.517 0.218 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418295184 1189752000 /nfs/dbraw/zinc/75/20/00/1189752000.db2.gz HOYUYEZNJOSYOH-MOPGFXCFSA-N 2 0 375.517 0.074 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418304131 1189755219 /nfs/dbraw/zinc/75/52/19/1189755219.db2.gz XBMIKSWGLRTHFT-OALUTQOASA-N 2 0 375.517 0.074 20 0 GCADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418304133 1189755622 /nfs/dbraw/zinc/75/56/22/1189755622.db2.gz XBMIKSWGLRTHFT-RTBURBONSA-N 2 0 375.517 0.074 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693622 1189775884 /nfs/dbraw/zinc/77/58/84/1189775884.db2.gz YTUWTNGVGCPFFP-MHORFTMASA-N 2 0 394.560 0.968 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000509727030 1189780031 /nfs/dbraw/zinc/78/00/31/1189780031.db2.gz XZENRZXQJXEALY-UHFFFAOYSA-N 2 0 382.549 0.795 20 0 GCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711770 1189939385 /nfs/dbraw/zinc/93/93/85/1189939385.db2.gz GSBJRGUYBFWSQZ-MJGOQNOKSA-N 2 0 379.549 0.707 20 0 GCADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660854743 1189956345 /nfs/dbraw/zinc/95/63/45/1189956345.db2.gz BYZKINLNGYWQFS-KRWDZBQOSA-N 2 0 381.565 0.813 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864873 1189959277 /nfs/dbraw/zinc/95/92/77/1189959277.db2.gz PWLHMVODDHNXQC-MOPGFXCFSA-N 2 0 381.565 0.813 20 0 GCADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000661085308 1189989282 /nfs/dbraw/zinc/98/92/82/1189989282.db2.gz VAPWPRDDLNAFBW-SFHVURJKSA-N 2 0 381.565 0.415 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)CC2)C1 ZINC000662758001 1190020959 /nfs/dbraw/zinc/02/09/59/1190020959.db2.gz NIIJDKLXFYYQPJ-IAGOWNOFSA-N 2 0 375.521 0.445 20 0 GCADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000662755042 1190020978 /nfs/dbraw/zinc/02/09/78/1190020978.db2.gz CIUCOVLCVYBUDW-QRVBRYPASA-N 2 0 387.528 0.806 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)CC2)C1 ZINC000662758000 1190021352 /nfs/dbraw/zinc/02/13/52/1190021352.db2.gz NIIJDKLXFYYQPJ-DLBZAZTESA-N 2 0 375.521 0.445 20 0 GCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000662789471 1190030384 /nfs/dbraw/zinc/03/03/84/1190030384.db2.gz BTPKGHNTYQDWDP-MAUKXSAKSA-N 2 0 388.516 0.786 20 0 GCADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833562 1190046503 /nfs/dbraw/zinc/04/65/03/1190046503.db2.gz SEKURTCDTWCRKN-DLBZAZTESA-N 2 0 376.505 0.920 20 0 GCADRP C[NH+](C)CCN1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000661444274 1190048871 /nfs/dbraw/zinc/04/88/71/1190048871.db2.gz WKEDTPAXPFLLGU-UHFFFAOYSA-N 2 0 395.548 0.293 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000662873071 1190066169 /nfs/dbraw/zinc/06/61/69/1190066169.db2.gz UMISSOVSEWNGEK-GOSISDBHSA-N 2 0 393.553 0.929 20 0 GCADRP C[C@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000512665132 1193729683 /nfs/dbraw/zinc/72/96/83/1193729683.db2.gz DQSSIXKYNKTWTE-RBUKOAKNSA-N 2 0 383.581 0.939 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419228770 1193738067 /nfs/dbraw/zinc/73/80/67/1193738067.db2.gz MRTWVWGMDNQBEX-FUHWJXTLSA-N 2 0 376.501 0.365 20 0 GCADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000419230887 1193741743 /nfs/dbraw/zinc/74/17/43/1193741743.db2.gz JDERBZPQIPFVIG-QGZVFWFLSA-N 2 0 395.548 0.213 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419233224 1193742928 /nfs/dbraw/zinc/74/29/28/1193742928.db2.gz VWUVFSRCJQYQIJ-NEWSRXKRSA-N 2 0 388.512 0.508 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000433138137 1193763486 /nfs/dbraw/zinc/76/34/86/1193763486.db2.gz QZAGUEZVCPQLLU-SFHVURJKSA-N 2 0 388.512 0.986 20 0 GCADRP CS(=O)(=O)c1ccc(OCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433142311 1193764526 /nfs/dbraw/zinc/76/45/26/1193764526.db2.gz SVCIQCKFWUJSEH-UHFFFAOYSA-N 2 0 383.514 0.788 20 0 GCADRP CC(C)OC[C@@H](CO)N(C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000433153089 1193767283 /nfs/dbraw/zinc/76/72/83/1193767283.db2.gz OFQGHRVLCUOVHR-GOSISDBHSA-N 2 0 385.549 0.855 20 0 GCADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000419273237 1193780219 /nfs/dbraw/zinc/78/02/19/1193780219.db2.gz WQRBFHDXVXTVDQ-SFHVURJKSA-N 2 0 376.501 0.639 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419284214 1193784465 /nfs/dbraw/zinc/78/44/65/1193784465.db2.gz KRVROLJBAZXSHE-LJQANCHMSA-N 2 0 388.512 0.783 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419280832 1193784762 /nfs/dbraw/zinc/78/47/62/1193784762.db2.gz AOTQKXLSRIYMEU-ZBFHGGJFSA-N 2 0 391.491 0.623 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419283842 1193786120 /nfs/dbraw/zinc/78/61/20/1193786120.db2.gz NQZKZLIIECIHEM-HUUCEWRRSA-N 2 0 391.491 0.575 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419302772 1193795718 /nfs/dbraw/zinc/79/57/18/1193795718.db2.gz QMTSCYJRGSJHMQ-GDBMZVCRSA-N 2 0 391.491 0.704 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419306213 1193797697 /nfs/dbraw/zinc/79/76/97/1193797697.db2.gz XVIMDSGOIKKCPE-KGLIPLIRSA-N 2 0 379.480 0.608 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419305840 1193798299 /nfs/dbraw/zinc/79/82/99/1193798299.db2.gz XMGRMJFWGOIPJG-CABCVRRESA-N 2 0 393.507 0.998 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000576182576 1193801130 /nfs/dbraw/zinc/80/11/30/1193801130.db2.gz OESZPGISVGVVJH-QGZVFWFLSA-N 2 0 381.565 0.509 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000333120745 1193813188 /nfs/dbraw/zinc/81/31/88/1193813188.db2.gz IDRNMTDWCVXEOM-DOTOQJQBSA-N 2 0 386.562 0.510 20 0 GCADRP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000333138445 1193817967 /nfs/dbraw/zinc/81/79/67/1193817967.db2.gz BZBCTXOVISKYOX-OTWHNJEPSA-N 2 0 381.565 0.953 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000419331252 1193824279 /nfs/dbraw/zinc/82/42/79/1193824279.db2.gz GTEZJXCULIJLHR-QUCCMNQESA-N 2 0 399.539 0.261 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419337834 1193832974 /nfs/dbraw/zinc/83/29/74/1193832974.db2.gz LHGFFAONZHMYKM-INIZCTEOSA-N 2 0 375.517 0.294 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCCCC[NH3+])cc2)CC1 ZINC000419342095 1193835204 /nfs/dbraw/zinc/83/52/04/1193835204.db2.gz OZBVJEIDBNCEAE-UHFFFAOYSA-N 2 0 375.517 0.295 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419343654 1193835256 /nfs/dbraw/zinc/83/52/56/1193835256.db2.gz QWVQPRXIYLLQFN-KRWDZBQOSA-N 2 0 376.501 0.892 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000419343056 1193836548 /nfs/dbraw/zinc/83/65/48/1193836548.db2.gz QMJUTIFCRPIFCM-BGYRXZFFSA-N 2 0 399.539 0.118 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419345847 1193841886 /nfs/dbraw/zinc/84/18/86/1193841886.db2.gz UKKQWFUWOHSQTQ-KRWDZBQOSA-N 2 0 376.501 0.892 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419345848 1193842025 /nfs/dbraw/zinc/84/20/25/1193842025.db2.gz UKKQWFUWOHSQTQ-QGZVFWFLSA-N 2 0 376.501 0.892 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000419346121 1193842176 /nfs/dbraw/zinc/84/21/76/1193842176.db2.gz UYHLZOSGPWVVAS-IBGZPJMESA-N 2 0 389.544 0.540 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419350828 1193845903 /nfs/dbraw/zinc/84/59/03/1193845903.db2.gz ZTRSCBCDCCASQB-IBGZPJMESA-N 2 0 387.528 0.309 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419350239 1193847250 /nfs/dbraw/zinc/84/72/50/1193847250.db2.gz WHLDVVDXRMFABO-INIZCTEOSA-N 2 0 395.548 0.119 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419360941 1193864109 /nfs/dbraw/zinc/86/41/09/1193864109.db2.gz AGAVDTOOEJHZLA-RHSMWYFYSA-N 2 0 388.512 0.431 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000419367587 1193869424 /nfs/dbraw/zinc/86/94/24/1193869424.db2.gz DGRSYSNIKXLDEC-JKSUJKDBSA-N 2 0 382.530 0.742 20 0 GCADRP C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000129135682 1193873708 /nfs/dbraw/zinc/87/37/08/1193873708.db2.gz PBYXJYGLACAWPD-UHFFFAOYSA-N 2 0 387.528 0.831 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419372396 1193875348 /nfs/dbraw/zinc/87/53/48/1193875348.db2.gz KPHSLTFPQSAZCF-QZTJIDSGSA-N 2 0 388.512 0.167 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419386574 1193896681 /nfs/dbraw/zinc/89/66/81/1193896681.db2.gz DVFVQTAXRXUUSD-GOSISDBHSA-N 2 0 388.512 0.516 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNC[C@H]2c2nccn2C)CC1=O ZINC000261669995 1193922793 /nfs/dbraw/zinc/92/27/93/1193922793.db2.gz GIABROIVONWCCN-BBWFWOEESA-N 2 0 388.516 0.226 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)c2)C1 ZINC000261883634 1193929913 /nfs/dbraw/zinc/92/99/13/1193929913.db2.gz UVKCOKUEXGKARY-RTBURBONSA-N 2 0 388.512 0.754 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)c2)C1 ZINC000261883630 1193929984 /nfs/dbraw/zinc/92/99/84/1193929984.db2.gz UVKCOKUEXGKARY-RBUKOAKNSA-N 2 0 388.512 0.754 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+](C)C1 ZINC001670798395 1193935422 /nfs/dbraw/zinc/93/54/22/1193935422.db2.gz ABVMVDCNVHPUIX-CQSZACIVSA-N 2 0 378.477 0.718 20 0 GCADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000262410173 1193947390 /nfs/dbraw/zinc/94/73/90/1193947390.db2.gz NZNFNEDJGKXNIK-UHFFFAOYSA-N 2 0 396.495 0.921 20 0 GCADRP CS(=O)(=O)C1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000262440179 1193948303 /nfs/dbraw/zinc/94/83/03/1193948303.db2.gz UUTNOLWKMBMPGB-SFHVURJKSA-N 2 0 393.553 0.834 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000513457435 1193953148 /nfs/dbraw/zinc/95/31/48/1193953148.db2.gz JLYUOTAJWMNKFD-DLBZAZTESA-N 2 0 382.549 0.650 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)(C)C[NH+](C)C ZINC000513469546 1193954257 /nfs/dbraw/zinc/95/42/57/1193954257.db2.gz QGPHFLZHJWVMHA-CGTJXYLNSA-N 2 0 396.576 0.963 20 0 GCADRP CCCCN(C(=O)CN1CC[C@@H](C[NH3+])C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000647829721 1193954703 /nfs/dbraw/zinc/95/47/03/1193954703.db2.gz QRLVNZHRCNSSKP-AWEZNQCLSA-N 2 0 394.520 0.601 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513501041 1193957789 /nfs/dbraw/zinc/95/77/89/1193957789.db2.gz UDYRHEWLHSDFGR-QGZVFWFLSA-N 2 0 395.592 0.565 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262950677 1193958977 /nfs/dbraw/zinc/95/89/77/1193958977.db2.gz BWYZKOADWOKYNB-IBGZPJMESA-N 2 0 376.501 0.929 20 0 GCADRP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261797160 1193963321 /nfs/dbraw/zinc/96/33/21/1193963321.db2.gz IOOJMLYIERQZDN-SZMVWBNQSA-N 2 0 378.517 0.347 20 0 GCADRP O=C(CNC(=O)c1ccncc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623134337 1193970532 /nfs/dbraw/zinc/97/05/32/1193970532.db2.gz WSWGMZOTWGAVBN-UHFFFAOYSA-N 2 0 382.468 0.535 20 0 GCADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000671816793 1194000045 /nfs/dbraw/zinc/00/00/45/1194000045.db2.gz SUJOUGGCJGKMDR-MJGOQNOKSA-N 2 0 386.496 0.222 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419405510 1194020750 /nfs/dbraw/zinc/02/07/50/1194020750.db2.gz HRFUEWMWUKYQDB-FHLIZLRMSA-N 2 0 376.476 0.927 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000419406806 1194021741 /nfs/dbraw/zinc/02/17/41/1194021741.db2.gz JIDFFAXYQRAZFQ-APHBMKBZSA-N 2 0 380.464 0.774 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419420892 1194022285 /nfs/dbraw/zinc/02/22/85/1194022285.db2.gz NWDBYAFJQHWCHJ-MOPGFXCFSA-N 2 0 399.539 0.668 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420923 1194024623 /nfs/dbraw/zinc/02/46/23/1194024623.db2.gz NYRBVUNNVJNKIJ-RBUKOAKNSA-N 2 0 387.528 0.350 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419422993 1194024927 /nfs/dbraw/zinc/02/49/27/1194024927.db2.gz RGLSFNZGHMPXNC-LJQANCHMSA-N 2 0 387.528 0.525 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424766 1194025149 /nfs/dbraw/zinc/02/51/49/1194025149.db2.gz URIJZWRCRNDJAS-MOPGFXCFSA-N 2 0 387.528 0.431 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000419423482 1194025218 /nfs/dbraw/zinc/02/52/18/1194025218.db2.gz RSXTYLMZPFOZFU-QZTJIDSGSA-N 2 0 387.528 0.524 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427510 1194025971 /nfs/dbraw/zinc/02/59/71/1194025971.db2.gz ZBSIBXOAFLWOPK-AEFFLSMTSA-N 2 0 375.517 0.287 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419425143 1194026093 /nfs/dbraw/zinc/02/60/93/1194026093.db2.gz VEYSGVQJJUEKPF-UHFFFAOYSA-N 2 0 389.544 0.949 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419427541 1194026158 /nfs/dbraw/zinc/02/61/58/1194026158.db2.gz ZELWUSPYLGFYDB-SFHVURJKSA-N 2 0 389.544 0.805 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427548 1194026432 /nfs/dbraw/zinc/02/64/32/1194026432.db2.gz ZFDBBASXXXRLMP-MOPGFXCFSA-N 2 0 387.528 0.350 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419426873 1194026584 /nfs/dbraw/zinc/02/65/84/1194026584.db2.gz YFPDXGNSJBNSDI-MOPGFXCFSA-N 2 0 399.539 0.383 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419427014 1194027505 /nfs/dbraw/zinc/02/75/05/1194027505.db2.gz YGEBXOSKOVKKRC-UHFFFAOYSA-N 2 0 385.512 0.351 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419410372 1194028843 /nfs/dbraw/zinc/02/88/43/1194028843.db2.gz ADJBSLMOFPZDBM-QGZVFWFLSA-N 2 0 375.517 0.429 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419411405 1194029301 /nfs/dbraw/zinc/02/93/01/1194029301.db2.gz BNNVEZKIVCFSSA-MJGOQNOKSA-N 2 0 385.512 0.135 20 0 GCADRP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419413045 1194030341 /nfs/dbraw/zinc/03/03/41/1194030341.db2.gz KCLCXDIRUQXLGY-YTQUADARSA-N 2 0 390.528 0.754 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419413378 1194030692 /nfs/dbraw/zinc/03/06/92/1194030692.db2.gz FLIGFYDSBCWKFL-IBGZPJMESA-N 2 0 389.544 0.549 20 0 GCADRP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419415399 1194031612 /nfs/dbraw/zinc/03/16/12/1194031612.db2.gz NAKKRPACRQFCIP-QZTJIDSGSA-N 2 0 388.512 0.780 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000419501242 1194046123 /nfs/dbraw/zinc/04/61/23/1194046123.db2.gz AZCQAICUWXVDLA-RTBURBONSA-N 2 0 388.512 0.857 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000419509581 1194048352 /nfs/dbraw/zinc/04/83/52/1194048352.db2.gz FJJFOJJPJAGBJT-GOSISDBHSA-N 2 0 387.528 0.492 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000419531755 1194050538 /nfs/dbraw/zinc/05/05/38/1194050538.db2.gz GGNGZODNCCBULN-SFHVURJKSA-N 2 0 376.501 0.762 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419512756 1194051013 /nfs/dbraw/zinc/05/10/13/1194051013.db2.gz KUVOXSUSNCWAAB-GOSISDBHSA-N 2 0 387.528 0.492 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC3CC[NH2+]CC3)CC2)c1 ZINC000419515021 1194051548 /nfs/dbraw/zinc/05/15/48/1194051548.db2.gz QMOLJLQUNJGOQF-UHFFFAOYSA-N 2 0 387.528 0.492 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000419517450 1194052206 /nfs/dbraw/zinc/05/22/06/1194052206.db2.gz WXWLPUJTXMJMPF-SFHVURJKSA-N 2 0 389.544 0.819 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419522754 1194053999 /nfs/dbraw/zinc/05/39/99/1194053999.db2.gz NJRKIIDYZCBVQX-IRXDYDNUSA-N 2 0 395.548 0.069 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000419536748 1194054842 /nfs/dbraw/zinc/05/48/42/1194054842.db2.gz MLYLYOZQYHEHTA-ROUUACIJSA-N 2 0 376.501 0.633 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000419536404 1194054855 /nfs/dbraw/zinc/05/48/55/1194054855.db2.gz MFCZXYKGWWDNPB-ROUUACIJSA-N 2 0 376.501 0.762 20 0 GCADRP COC[C@H](NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419543965 1194056350 /nfs/dbraw/zinc/05/63/50/1194056350.db2.gz URUFKJGIGVHFMU-SFHVURJKSA-N 2 0 388.512 0.637 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000419549845 1194057276 /nfs/dbraw/zinc/05/72/76/1194057276.db2.gz VWJOVUORZOIQPY-NZSAHSFTSA-N 2 0 390.528 0.926 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419603768 1194064632 /nfs/dbraw/zinc/06/46/32/1194064632.db2.gz PXLLOLFWLAXATG-UHFFFAOYSA-N 2 0 390.528 0.893 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419657722 1194074883 /nfs/dbraw/zinc/07/48/83/1194074883.db2.gz JVYRMHIIKADTOQ-NVXWUHKLSA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000419661370 1194076902 /nfs/dbraw/zinc/07/69/02/1194076902.db2.gz MNDPTONTYFRFNK-MSOLQXFVSA-N 2 0 388.512 0.354 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000419651598 1194077084 /nfs/dbraw/zinc/07/70/84/1194077084.db2.gz DHEYPNMNDIDADS-KRWDZBQOSA-N 2 0 376.501 0.402 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419661432 1194077132 /nfs/dbraw/zinc/07/71/32/1194077132.db2.gz MSFHAFNALQIZEZ-GOSISDBHSA-N 2 0 390.528 0.886 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000419663827 1194077712 /nfs/dbraw/zinc/07/77/12/1194077712.db2.gz QWDLPLAZFXXTQE-HXUWFJFHSA-N 2 0 376.501 0.831 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000419668546 1194078889 /nfs/dbraw/zinc/07/88/89/1194078889.db2.gz YRRPCASWCLWLJJ-QGZVFWFLSA-N 2 0 376.501 0.749 20 0 GCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419682246 1194081113 /nfs/dbraw/zinc/08/11/13/1194081113.db2.gz JPFFFORVKWLEHK-INIZCTEOSA-N 2 0 382.574 0.970 20 0 GCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419682247 1194081402 /nfs/dbraw/zinc/08/14/02/1194081402.db2.gz JPFFFORVKWLEHK-MRXNPFEDSA-N 2 0 382.574 0.970 20 0 GCADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000419659076 1194081773 /nfs/dbraw/zinc/08/17/73/1194081773.db2.gz ZURMGMUBDFDDRS-WBVHZDCISA-N 2 0 376.501 0.727 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419693540 1194086230 /nfs/dbraw/zinc/08/62/30/1194086230.db2.gz NLUIETLWOJIKIB-GOSISDBHSA-N 2 0 389.544 0.506 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000419699272 1194087361 /nfs/dbraw/zinc/08/73/61/1194087361.db2.gz VZZKVGGHJDXEEX-QXAKKESOSA-N 2 0 392.544 0.864 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419725634 1194088310 /nfs/dbraw/zinc/08/83/10/1194088310.db2.gz SQQJGPYXHXUDKB-CRAIPNDOSA-N 2 0 388.512 0.996 20 0 GCADRP COc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000419727286 1194088756 /nfs/dbraw/zinc/08/87/56/1194088756.db2.gz KXDRXJGGMPRTHT-GASCZTMLSA-N 2 0 390.484 0.594 20 0 GCADRP COc1cc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000419728036 1194088788 /nfs/dbraw/zinc/08/87/88/1194088788.db2.gz JXJXWIXJSRZRNX-GOEBONIOSA-N 2 0 390.484 0.737 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000419731810 1194089980 /nfs/dbraw/zinc/08/99/80/1194089980.db2.gz RMJZLHXZOYICKV-RTBURBONSA-N 2 0 384.480 0.793 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419713661 1194091117 /nfs/dbraw/zinc/09/11/17/1194091117.db2.gz WMNQEHJFPUYINC-JCHJZTRSSA-N 2 0 388.512 0.730 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419713665 1194091246 /nfs/dbraw/zinc/09/12/46/1194091246.db2.gz WMNQEHJFPUYINC-OQIJWPOYSA-N 2 0 388.512 0.730 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419740636 1194094106 /nfs/dbraw/zinc/09/41/06/1194094106.db2.gz HNKVQHUUNBVIAM-HNNXBMFYSA-N 2 0 395.935 0.774 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000419748163 1194095916 /nfs/dbraw/zinc/09/59/16/1194095916.db2.gz FMJZHHSKGPBXEO-USXIJHARSA-N 2 0 380.533 0.578 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CCCC2)CC1 ZINC000419751227 1194096617 /nfs/dbraw/zinc/09/66/17/1194096617.db2.gz JXTMPFFLIAGIGI-HOTGVXAUSA-N 2 0 380.533 0.735 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CCCC2)CC1 ZINC000419751228 1194096993 /nfs/dbraw/zinc/09/69/93/1194096993.db2.gz JXTMPFFLIAGIGI-HZPDHXFCSA-N 2 0 380.533 0.735 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000419759213 1194098465 /nfs/dbraw/zinc/09/84/65/1194098465.db2.gz WZMKZDPGIKVGFA-QGZVFWFLSA-N 2 0 394.560 0.984 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419777866 1194104159 /nfs/dbraw/zinc/10/41/59/1194104159.db2.gz NSXDMHGPCKIBNQ-YOEHRIQHSA-N 2 0 398.454 0.221 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCCC1 ZINC000419801701 1194106224 /nfs/dbraw/zinc/10/62/24/1194106224.db2.gz BORVMWCXBDMUHB-INIZCTEOSA-N 2 0 395.548 0.213 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000419801683 1194106269 /nfs/dbraw/zinc/10/62/69/1194106269.db2.gz BNOUTJDNERXCQL-MAUKXSAKSA-N 2 0 376.501 0.920 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419800493 1194106337 /nfs/dbraw/zinc/10/63/37/1194106337.db2.gz AKDPTMLUQJLDDE-MSOLQXFVSA-N 2 0 390.484 0.134 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000419821508 1194110383 /nfs/dbraw/zinc/11/03/83/1194110383.db2.gz OQHWWQJYZAQKSG-ROUUACIJSA-N 2 0 390.484 0.053 20 0 GCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419850286 1194114433 /nfs/dbraw/zinc/11/44/33/1194114433.db2.gz FKSLWISIRHRHLW-UHFFFAOYSA-N 2 0 381.546 0.050 20 0 GCADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419850390 1194115467 /nfs/dbraw/zinc/11/54/67/1194115467.db2.gz GCMDEEFFAYHAGH-UHFFFAOYSA-N 2 0 380.533 0.596 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419833121 1194116469 /nfs/dbraw/zinc/11/64/69/1194116469.db2.gz SJTSCQDTFOKUMP-WMZOPIPTSA-N 2 0 381.565 0.400 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419856628 1194122411 /nfs/dbraw/zinc/12/24/11/1194122411.db2.gz SQNCWUMKHYHMTI-UHFFFAOYSA-N 2 0 387.528 0.310 20 0 GCADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419858519 1194123541 /nfs/dbraw/zinc/12/35/41/1194123541.db2.gz XFJNDIDAHYQNMX-UHFFFAOYSA-N 2 0 381.565 0.272 20 0 GCADRP CCc1ccc([C@@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000419861090 1194124070 /nfs/dbraw/zinc/12/40/70/1194124070.db2.gz DLBUOJRVZNHHAT-LJQANCHMSA-N 2 0 389.544 0.379 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000419863285 1194124649 /nfs/dbraw/zinc/12/46/49/1194124649.db2.gz CKQKQMKEJQMDPB-UHFFFAOYSA-N 2 0 391.516 0.001 20 0 GCADRP CCN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419861560 1194124725 /nfs/dbraw/zinc/12/47/25/1194124725.db2.gz FPOLWGCJBQHTPD-IBGZPJMESA-N 2 0 387.528 0.131 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419863029 1194125003 /nfs/dbraw/zinc/12/50/03/1194125003.db2.gz DMPBCCINRAGMIO-UHFFFAOYSA-N 2 0 382.549 0.970 20 0 GCADRP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419873220 1194128378 /nfs/dbraw/zinc/12/83/78/1194128378.db2.gz VCIHELHUJFJTJC-GUDVDZBRSA-N 2 0 393.576 0.636 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419878238 1194130111 /nfs/dbraw/zinc/13/01/11/1194130111.db2.gz FZPYTLOIQQMANF-MTNOOBJLSA-N 2 0 394.560 0.839 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000419876530 1194130249 /nfs/dbraw/zinc/13/02/49/1194130249.db2.gz WCEZTJVXHJFRRA-IBGZPJMESA-N 2 0 387.528 0.351 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419880147 1194131186 /nfs/dbraw/zinc/13/11/86/1194131186.db2.gz ZXCMBILPQLJIRJ-ROUUACIJSA-N 2 0 381.565 0.272 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000419903025 1194137604 /nfs/dbraw/zinc/13/76/04/1194137604.db2.gz URCRJIBRPFQDAS-MOPGFXCFSA-N 2 0 388.512 0.811 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419924813 1194139763 /nfs/dbraw/zinc/13/97/63/1194139763.db2.gz NFWXFXOKTUTIHJ-UHFFFAOYSA-N 2 0 386.418 0.931 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419908624 1194141484 /nfs/dbraw/zinc/14/14/84/1194141484.db2.gz IXIWEDTUADXROO-OALUTQOASA-N 2 0 395.592 0.898 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419964230 1194148630 /nfs/dbraw/zinc/14/86/30/1194148630.db2.gz WZODVKCWBZBCON-BPQIPLTHSA-N 2 0 381.565 0.493 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)CC1 ZINC000419966780 1194148988 /nfs/dbraw/zinc/14/89/88/1194148988.db2.gz MCZSVEWXQXGNDJ-MSOLQXFVSA-N 2 0 379.549 0.249 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)CC1 ZINC000419970453 1194149688 /nfs/dbraw/zinc/14/96/88/1194149688.db2.gz UUTJIQXBAVZIQU-LJQANCHMSA-N 2 0 393.576 0.496 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419971806 1194150323 /nfs/dbraw/zinc/15/03/23/1194150323.db2.gz XJMDYQBFBJERSH-KRWDZBQOSA-N 2 0 395.548 0.023 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)c1cc(C(N)=O)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894246948 1194155914 /nfs/dbraw/zinc/15/59/14/1194155914.db2.gz BAWORIQHFRNXER-CABCVRRESA-N 2 0 375.521 0.636 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420030649 1194160264 /nfs/dbraw/zinc/16/02/64/1194160264.db2.gz GPKTWIUPVRKIIN-GOEBONIOSA-N 2 0 384.521 0.175 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000420011858 1194161657 /nfs/dbraw/zinc/16/16/57/1194161657.db2.gz IOUQZEVHNKNBFS-ZWKOTPCHSA-N 2 0 375.517 0.994 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420017864 1194162592 /nfs/dbraw/zinc/16/25/92/1194162592.db2.gz OOQAWXARJNZBQL-FUHWJXTLSA-N 2 0 382.549 0.970 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420019557 1194163388 /nfs/dbraw/zinc/16/33/88/1194163388.db2.gz RFJGANLNJUXOHW-CEXWTWQISA-N 2 0 395.592 0.882 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000420062784 1194165101 /nfs/dbraw/zinc/16/51/01/1194165101.db2.gz NCQTYWXXPRELLV-RHSMWYFYSA-N 2 0 394.491 0.945 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420044043 1194167633 /nfs/dbraw/zinc/16/76/33/1194167633.db2.gz OZLPTOVYWODBGB-ZAWLATJESA-N 2 0 394.560 0.968 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000420046328 1194168226 /nfs/dbraw/zinc/16/82/26/1194168226.db2.gz BNCZYPOKIADHPA-YJBOKZPZSA-N 2 0 379.549 0.247 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420043651 1194168279 /nfs/dbraw/zinc/16/82/79/1194168279.db2.gz OUDXQCBJFMGKIG-CIRFHOKZSA-N 2 0 380.533 0.578 20 0 GCADRP COC(=O)CCN1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000420049641 1194169615 /nfs/dbraw/zinc/16/96/15/1194169615.db2.gz ZITAQUVMANAJAI-MRXNPFEDSA-N 2 0 396.532 0.511 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064864 1194176356 /nfs/dbraw/zinc/17/63/56/1194176356.db2.gz PAHGKZKIZHLCKP-HCXYKTFWSA-N 2 0 393.576 0.637 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420097685 1194177311 /nfs/dbraw/zinc/17/73/11/1194177311.db2.gz IGWORNXUAQLBQW-OAHLLOKOSA-N 2 0 386.496 0.618 20 0 GCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420103409 1194178460 /nfs/dbraw/zinc/17/84/60/1194178460.db2.gz QZRLWSMIZJIHBI-JCKWVBRZSA-N 2 0 394.466 0.937 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420111453 1194181441 /nfs/dbraw/zinc/18/14/41/1194181441.db2.gz WUAURXQPYVYLRP-LZJOCLMNSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1C1CC[NH+](C)CC1 ZINC000420111468 1194181566 /nfs/dbraw/zinc/18/15/66/1194181566.db2.gz WUEARFKETRMBSV-JXFKEZNVSA-N 2 0 379.549 0.119 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420162976 1194191746 /nfs/dbraw/zinc/19/17/46/1194191746.db2.gz JRHRQZFLLAYUSA-CALCHBBNSA-N 2 0 392.544 0.760 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420143959 1194192810 /nfs/dbraw/zinc/19/28/10/1194192810.db2.gz ZRMHWXUFHWNDNW-IRXDYDNUSA-N 2 0 377.533 0.039 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420177562 1194195401 /nfs/dbraw/zinc/19/54/01/1194195401.db2.gz SHLIMRBTIGYVOK-KRWDZBQOSA-N 2 0 382.549 0.840 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000420178476 1194195712 /nfs/dbraw/zinc/19/57/12/1194195712.db2.gz ANPRBZYSLNGTAO-GOSISDBHSA-N 2 0 392.500 0.080 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501586096 1194196030 /nfs/dbraw/zinc/19/60/30/1194196030.db2.gz SXMMHISPLSYFDT-SFHVURJKSA-N 2 0 394.560 0.794 20 0 GCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420179558 1194196059 /nfs/dbraw/zinc/19/60/59/1194196059.db2.gz BVBGFILJTSTEFI-IBGZPJMESA-N 2 0 390.528 0.852 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420182406 1194197071 /nfs/dbraw/zinc/19/70/71/1194197071.db2.gz FGJBFYXUMBTINY-SFHVURJKSA-N 2 0 380.533 0.596 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420184514 1194197671 /nfs/dbraw/zinc/19/76/71/1194197671.db2.gz NWRUTPZQKRCFNX-IAGOWNOFSA-N 2 0 398.548 0.077 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589400 1194197859 /nfs/dbraw/zinc/19/78/59/1194197859.db2.gz PAGHOKQTXNDBQU-PKOBYXMFSA-N 2 0 394.560 0.936 20 0 GCADRP CC[C@H]1COCCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420196844 1194201613 /nfs/dbraw/zinc/20/16/13/1194201613.db2.gz AALAOLLECBZJOL-SFHVURJKSA-N 2 0 388.512 0.734 20 0 GCADRP COCCCN(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420197019 1194202046 /nfs/dbraw/zinc/20/20/46/1194202046.db2.gz AUABFJHVDSWAHE-UHFFFAOYSA-N 2 0 376.501 0.591 20 0 GCADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420199053 1194203251 /nfs/dbraw/zinc/20/32/51/1194203251.db2.gz NAWVAADXUHIQDN-SFHVURJKSA-N 2 0 376.501 0.462 20 0 GCADRP CC[C@@]1(O)CCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420202238 1194203809 /nfs/dbraw/zinc/20/38/09/1194203809.db2.gz JCNLLVFJPNMBHQ-OAQYLSRUSA-N 2 0 388.512 0.470 20 0 GCADRP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420188517 1194205907 /nfs/dbraw/zinc/20/59/07/1194205907.db2.gz NALLDAOBBNWZTR-OALUTQOASA-N 2 0 388.512 0.604 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000420188258 1194206340 /nfs/dbraw/zinc/20/63/40/1194206340.db2.gz SPEZJOHMUJZKLC-UHFFFAOYSA-N 2 0 376.501 0.462 20 0 GCADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000420187776 1194206641 /nfs/dbraw/zinc/20/66/41/1194206641.db2.gz BXYSYRYXAGWCJH-UHOSZYNNSA-N 2 0 390.528 0.973 20 0 GCADRP C[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420209596 1194211469 /nfs/dbraw/zinc/21/14/69/1194211469.db2.gz TYYRNXUXPGXIRM-SJLPKXTDSA-N 2 0 388.512 0.325 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000420213924 1194213971 /nfs/dbraw/zinc/21/39/71/1194213971.db2.gz ZEQLGNHWNKXTRD-CALCHBBNSA-N 2 0 388.512 0.732 20 0 GCADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420214334 1194214001 /nfs/dbraw/zinc/21/40/01/1194214001.db2.gz ZPTHKSMYJZNFHQ-UHFFFAOYSA-N 3 0 375.517 0.116 20 0 GCADRP CC(C)(CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000501618295 1194214500 /nfs/dbraw/zinc/21/45/00/1194214500.db2.gz ZTRIASPWTODCQR-KRWDZBQOSA-N 2 0 394.560 0.842 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000420219310 1194215031 /nfs/dbraw/zinc/21/50/31/1194215031.db2.gz XGAXOYAPDUFSQA-ARFHVFGLSA-N 2 0 387.484 0.243 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501641918 1194217821 /nfs/dbraw/zinc/21/78/21/1194217821.db2.gz SDNPRMAMCURTDX-IIDMSEBBSA-N 2 0 378.517 0.202 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000501648639 1194219029 /nfs/dbraw/zinc/21/90/29/1194219029.db2.gz YOWFPGHLHJGSHO-MSOLQXFVSA-N 2 0 392.544 0.548 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501648608 1194219239 /nfs/dbraw/zinc/21/92/39/1194219239.db2.gz YKDORIXNMGDQGA-SQNIBIBYSA-N 2 0 394.560 0.840 20 0 GCADRP Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@]2(O)CC[NH+](C)C2)cn1 ZINC000501650562 1194219921 /nfs/dbraw/zinc/21/99/21/1194219921.db2.gz PFTRDVXYEQHLRH-RZUBCFFCSA-N 2 0 397.523 0.819 20 0 GCADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000501776761 1194229051 /nfs/dbraw/zinc/22/90/51/1194229051.db2.gz RZFDRQILUXIELB-UHFFFAOYSA-N 2 0 382.549 0.748 20 0 GCADRP C[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420408559 1194229090 /nfs/dbraw/zinc/22/90/90/1194229090.db2.gz PMRTTYNVNLWUAA-ZBFHGGJFSA-N 2 0 382.530 0.300 20 0 GCADRP C[NH+](C)CCNC(=S)N(CC[NH+](C)C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000047809083 1194235044 /nfs/dbraw/zinc/23/50/44/1194235044.db2.gz HZSUIMIYAFLIMS-UHFFFAOYSA-N 2 0 376.530 0.723 20 0 GCADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000647907923 1194282470 /nfs/dbraw/zinc/28/24/70/1194282470.db2.gz RGMKIJZTDIECLS-KBAYOESNSA-N 2 0 394.541 0.442 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000421406439 1194336982 /nfs/dbraw/zinc/33/69/82/1194336982.db2.gz UCLWWXCCEQBCOX-KRWDZBQOSA-N 2 0 376.501 0.796 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000607416288 1194357153 /nfs/dbraw/zinc/35/71/53/1194357153.db2.gz MGCDFEXFAOLECP-UYAOXDASSA-N 2 0 376.501 0.643 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000422111722 1194392618 /nfs/dbraw/zinc/39/26/18/1194392618.db2.gz DKNAXDIXBZBHBW-SCTDSRPQSA-N 2 0 394.560 0.887 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000422132189 1194400906 /nfs/dbraw/zinc/40/09/06/1194400906.db2.gz HNQKMGWDWDDSOJ-GOSISDBHSA-N 2 0 380.533 0.500 20 0 GCADRP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](CO)O1 ZINC000422162827 1194400936 /nfs/dbraw/zinc/40/09/36/1194400936.db2.gz WCYAULFMXQPKIU-SFHVURJKSA-N 2 0 391.516 0.775 20 0 GCADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000503183729 1194403572 /nfs/dbraw/zinc/40/35/72/1194403572.db2.gz UXVRUPNYNJJXRD-HZPDHXFCSA-N 2 0 390.532 0.924 20 0 GCADRP CC(C)(C)[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(N)=O ZINC000271798937 1194413252 /nfs/dbraw/zinc/41/32/52/1194413252.db2.gz OSDRCXHNSFGURJ-MRXNPFEDSA-N 2 0 376.505 0.793 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)c2)CC1 ZINC000272391253 1194456301 /nfs/dbraw/zinc/45/63/01/1194456301.db2.gz XYSDCIXBZLDIGN-UYAOXDASSA-N 2 0 399.539 0.925 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000272719226 1194491141 /nfs/dbraw/zinc/49/11/41/1194491141.db2.gz BOPJQHSJTAQYEN-RTBURBONSA-N 2 0 375.517 0.298 20 0 GCADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000273072824 1194536666 /nfs/dbraw/zinc/53/66/66/1194536666.db2.gz LDGSZODMEWXZAE-MRXNPFEDSA-N 2 0 376.501 0.563 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000664302806 1194577293 /nfs/dbraw/zinc/57/72/93/1194577293.db2.gz HQHOTVXELBJYFQ-UHFFFAOYSA-N 2 0 385.553 0.537 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000422325503 1194614897 /nfs/dbraw/zinc/61/48/97/1194614897.db2.gz KEIAGIWOAMLBKO-SQNIBIBYSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000422395133 1194635209 /nfs/dbraw/zinc/63/52/09/1194635209.db2.gz IMJCEHHRFYZKGQ-GBESFXJTSA-N 2 0 394.560 0.812 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000422396579 1194635847 /nfs/dbraw/zinc/63/58/47/1194635847.db2.gz LGFSJQUGJAQFIM-QGZVFWFLSA-N 2 0 391.516 0.579 20 0 GCADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000422459661 1194649933 /nfs/dbraw/zinc/64/99/33/1194649933.db2.gz ZUZMNBQQVJWKKO-UHFFFAOYSA-N 2 0 380.533 0.548 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000422491342 1194651217 /nfs/dbraw/zinc/65/12/17/1194651217.db2.gz NPTNXNBPJRLESU-ZWKOTPCHSA-N 2 0 382.549 0.794 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)N1CCOCC1 ZINC000414675933 1194679804 /nfs/dbraw/zinc/67/98/04/1194679804.db2.gz GXQRVHYPTPQECD-QGZVFWFLSA-N 2 0 390.484 0.580 20 0 GCADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000503638475 1194702683 /nfs/dbraw/zinc/70/26/83/1194702683.db2.gz YXUFHQUKXDARBD-IRXDYDNUSA-N 2 0 377.485 0.867 20 0 GCADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423012491 1194717543 /nfs/dbraw/zinc/71/75/43/1194717543.db2.gz DEQQDMPKRURFLM-HNNXBMFYSA-N 2 0 382.530 0.605 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000423059704 1194722805 /nfs/dbraw/zinc/72/28/05/1194722805.db2.gz MRGJWLHYZUVXCA-SQNIBIBYSA-N 2 0 380.533 0.674 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000423066950 1194723995 /nfs/dbraw/zinc/72/39/95/1194723995.db2.gz YGRMBKWWQCKOLO-ZWKOTPCHSA-N 2 0 382.549 0.778 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423095479 1194726854 /nfs/dbraw/zinc/72/68/54/1194726854.db2.gz MNEZUALXHFNUQS-FQEVSTJZSA-N 2 0 376.476 0.928 20 0 GCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423184285 1194733709 /nfs/dbraw/zinc/73/37/09/1194733709.db2.gz IEDVHBFNQXYTHQ-IBGZPJMESA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423184286 1194734183 /nfs/dbraw/zinc/73/41/83/1194734183.db2.gz IEDVHBFNQXYTHQ-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423166634 1194734452 /nfs/dbraw/zinc/73/44/52/1194734452.db2.gz RJOKXHMBGOWLKD-SLFFLAALSA-N 2 0 399.539 0.962 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423164700 1194734686 /nfs/dbraw/zinc/73/46/86/1194734686.db2.gz OXILWHVEPNXRDD-WMZOPIPTSA-N 2 0 376.476 0.926 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423212063 1194737483 /nfs/dbraw/zinc/73/74/83/1194737483.db2.gz ZOGHUPAHCWCXAI-KURKYZTESA-N 2 0 394.560 0.922 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423210829 1194737650 /nfs/dbraw/zinc/73/76/50/1194737650.db2.gz XRPXDYHQBIIHOV-LNLFQRSKSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423201532 1194739043 /nfs/dbraw/zinc/73/90/43/1194739043.db2.gz ITKMPYAWLLICJG-KRWDZBQOSA-N 2 0 396.919 0.806 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000423203364 1194739353 /nfs/dbraw/zinc/73/93/53/1194739353.db2.gz CINVBHICYNDDCI-CADBVGFASA-N 2 0 393.576 0.589 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000423218981 1194741161 /nfs/dbraw/zinc/74/11/61/1194741161.db2.gz SWFSPQVWWWBHBV-GOSISDBHSA-N 2 0 382.549 0.779 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000423220911 1194741198 /nfs/dbraw/zinc/74/11/98/1194741198.db2.gz YVFCCPGRHDKZTM-FGTMMUONSA-N 2 0 393.576 0.589 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000423256640 1194743963 /nfs/dbraw/zinc/74/39/63/1194743963.db2.gz FNGRDSCHZUWBMN-UHFFFAOYSA-N 2 0 389.500 0.587 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000423376607 1194751912 /nfs/dbraw/zinc/75/19/12/1194751912.db2.gz JMVSRWLMAQRAAC-IXDOHACOSA-N 2 0 379.549 0.057 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1C1CC[NH+](C)CC1 ZINC000423378940 1194752072 /nfs/dbraw/zinc/75/20/72/1194752072.db2.gz LJEFGJUTWKOUCU-KRWDZBQOSA-N 2 0 391.560 0.215 20 0 GCADRP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000423385748 1194752597 /nfs/dbraw/zinc/75/25/97/1194752597.db2.gz RAVISFJZPJRTQA-KRWDZBQOSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423388076 1194752893 /nfs/dbraw/zinc/75/28/93/1194752893.db2.gz MPAKFZXQPYFVOC-RCCFBDPRSA-N 2 0 392.544 0.546 20 0 GCADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000458849711 1194752988 /nfs/dbraw/zinc/75/29/88/1194752988.db2.gz SNORWRQFERSXRM-FQEVSTJZSA-N 2 0 376.501 0.645 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCN1C1CC[NH+](C)CC1 ZINC000423387118 1194752997 /nfs/dbraw/zinc/75/29/97/1194752997.db2.gz SLMGGTMKQNVWIO-IRXDYDNUSA-N 2 0 379.549 0.201 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423452095 1194756415 /nfs/dbraw/zinc/75/64/15/1194756415.db2.gz VXMNOWHIDDLTQC-RTBURBONSA-N 2 0 394.560 0.651 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000423452401 1194756441 /nfs/dbraw/zinc/75/64/41/1194756441.db2.gz WFGUNHWHBBYOAJ-MOPGFXCFSA-N 2 0 394.560 0.794 20 0 GCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423431134 1194756832 /nfs/dbraw/zinc/75/68/32/1194756832.db2.gz ALUSWWWBSPASLN-JCGIZDLHSA-N 2 0 376.476 0.879 20 0 GCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423431723 1194756880 /nfs/dbraw/zinc/75/68/80/1194756880.db2.gz ATPSYILMKITOEM-QILLFSRXSA-N 2 0 376.476 0.879 20 0 GCADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423434918 1194757244 /nfs/dbraw/zinc/75/72/44/1194757244.db2.gz YOUSSKOBNZCPPW-SFHVURJKSA-N 2 0 382.549 0.923 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423439669 1194757654 /nfs/dbraw/zinc/75/76/54/1194757654.db2.gz HWGYTFMRFNQVQN-NRFANRHFSA-N 2 0 392.544 0.549 20 0 GCADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423463422 1194758279 /nfs/dbraw/zinc/75/82/79/1194758279.db2.gz FXVFQISGRSXKND-HDICACEKSA-N 2 0 385.512 0.824 20 0 GCADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423466982 1194758553 /nfs/dbraw/zinc/75/85/53/1194758553.db2.gz ABKXFHBFNBJYHQ-OALUTQOASA-N 2 0 388.512 0.543 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)C1 ZINC000423505876 1194759900 /nfs/dbraw/zinc/75/99/00/1194759900.db2.gz HMXYFGKFOPMZSW-QRQLOZEOSA-N 2 0 393.576 0.602 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)C1 ZINC000423505875 1194760009 /nfs/dbraw/zinc/76/00/09/1194760009.db2.gz HMXYFGKFOPMZSW-NZSAHSFTSA-N 2 0 393.576 0.602 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000423487988 1194760810 /nfs/dbraw/zinc/76/08/10/1194760810.db2.gz YCUQZQXLKSXATG-UHFFFAOYSA-N 2 0 376.501 0.796 20 0 GCADRP C[NH2+]C1CCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000423497677 1194761176 /nfs/dbraw/zinc/76/11/76/1194761176.db2.gz HFQLMHPUKKBLED-IAGOWNOFSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423519480 1194762748 /nfs/dbraw/zinc/76/27/48/1194762748.db2.gz JITZEEKWFBJYJY-YTQUADARSA-N 2 0 394.560 0.922 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423572966 1194768608 /nfs/dbraw/zinc/76/86/08/1194768608.db2.gz QLCDAKLQSWEHSX-RXVVDRJESA-N 2 0 388.512 0.292 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423586004 1194771079 /nfs/dbraw/zinc/77/10/79/1194771079.db2.gz APLQWYLSCZJLOE-SFHVURJKSA-N 2 0 382.549 0.923 20 0 GCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423610603 1194773218 /nfs/dbraw/zinc/77/32/18/1194773218.db2.gz REBMGMYUNGONOP-QUCCMNQESA-N 2 0 399.539 0.225 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H]1Cc1ccccc1 ZINC000423634825 1194776216 /nfs/dbraw/zinc/77/62/16/1194776216.db2.gz NTODWPKQDDVHPC-IBGZPJMESA-N 2 0 384.524 0.974 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000423646975 1194777546 /nfs/dbraw/zinc/77/75/46/1194777546.db2.gz MNJMKFBVNLUTNG-JFIYKMOQSA-N 2 0 380.533 0.674 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423619221 1194777753 /nfs/dbraw/zinc/77/77/53/1194777753.db2.gz IBLRNRZNHAUZQA-SFHVURJKSA-N 2 0 380.533 0.677 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423623107 1194778291 /nfs/dbraw/zinc/77/82/91/1194778291.db2.gz NRPBKWOHSWTMAP-FGTMMUONSA-N 2 0 379.549 0.343 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423623108 1194778347 /nfs/dbraw/zinc/77/83/47/1194778347.db2.gz NRPBKWOHSWTMAP-KSZLIROESA-N 2 0 379.549 0.343 20 0 GCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423649362 1194778693 /nfs/dbraw/zinc/77/86/93/1194778693.db2.gz JTJOGEWIGPPOLJ-AEFFLSMTSA-N 2 0 380.533 0.533 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423650425 1194779033 /nfs/dbraw/zinc/77/90/33/1194779033.db2.gz KSUKRVQEXPRMRQ-DLBZAZTESA-N 2 0 380.533 0.546 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423657104 1194779855 /nfs/dbraw/zinc/77/98/55/1194779855.db2.gz VJLVKUPRIYLOBF-IRXDYDNUSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423698699 1194783415 /nfs/dbraw/zinc/78/34/15/1194783415.db2.gz PNQJRWCTNKFKFJ-WMZOPIPTSA-N 2 0 380.533 0.818 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423690770 1194786202 /nfs/dbraw/zinc/78/62/02/1194786202.db2.gz YYKJBXJHCYWVHJ-IRXDYDNUSA-N 2 0 395.548 0.023 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1)Cc1ccccc1 ZINC000423707664 1194787035 /nfs/dbraw/zinc/78/70/35/1194787035.db2.gz DVWVZILBSRYGFV-UXHICEINSA-N 2 0 399.539 0.083 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000423716711 1194788178 /nfs/dbraw/zinc/78/81/78/1194788178.db2.gz IWFNLFJISAYOBA-RCCFBDPRSA-N 2 0 379.549 0.071 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000423716838 1194788193 /nfs/dbraw/zinc/78/81/93/1194788193.db2.gz JBOJBHMTXNBYHH-GOSISDBHSA-N 2 0 393.576 0.463 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423741931 1194790864 /nfs/dbraw/zinc/79/08/64/1194790864.db2.gz YROCYOJFJAQHAE-ZRNYENFQSA-N 2 0 382.508 0.787 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@H]1C[NH3+] ZINC000423745197 1194791192 /nfs/dbraw/zinc/79/11/92/1194791192.db2.gz XCTCFLFBTLNBSB-WMZOPIPTSA-N 2 0 380.533 0.533 20 0 GCADRP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)CC1 ZINC000423748574 1194791928 /nfs/dbraw/zinc/79/19/28/1194791928.db2.gz ZOEFLVYFTPIKTD-HKUYNNGSSA-N 2 0 393.576 0.589 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000423733629 1194792260 /nfs/dbraw/zinc/79/22/60/1194792260.db2.gz CDECTYOGHNMCES-HNNXBMFYSA-N 2 0 375.473 0.339 20 0 GCADRP [NH3+]C1(CNC(=O)Cn2nc3ccccn3c2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000424017831 1194799190 /nfs/dbraw/zinc/79/91/90/1194799190.db2.gz HRRNXWBNMZFMHO-UHFFFAOYSA-N 2 0 394.479 0.606 20 0 GCADRP CCS(=O)(=O)N(C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424022844 1194799521 /nfs/dbraw/zinc/79/95/21/1194799521.db2.gz VCYIJHWJFKOXHL-UHFFFAOYSA-N 2 0 382.530 0.378 20 0 GCADRP COCC(C)(C)[NH+]1CCN(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000424421581 1194810805 /nfs/dbraw/zinc/81/08/05/1194810805.db2.gz YTVQQMQOHFOGQB-UHFFFAOYSA-N 2 0 377.493 0.461 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)NCc3cccc(OCC[NH+](C)C)c3)C[C@H]2[NH3+])cn1 ZINC000424451964 1194815058 /nfs/dbraw/zinc/81/50/58/1194815058.db2.gz GAYYSZZLYQVJST-RBUKOAKNSA-N 2 0 386.500 0.997 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000424454847 1194815181 /nfs/dbraw/zinc/81/51/81/1194815181.db2.gz MIXVBVBDFNQJFP-KRWDZBQOSA-N 2 0 387.484 0.157 20 0 GCADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000424502450 1194818635 /nfs/dbraw/zinc/81/86/35/1194818635.db2.gz GQGCCSNAHCQVDC-UJAMICLKSA-N 2 0 390.532 0.300 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424504650 1194818712 /nfs/dbraw/zinc/81/87/12/1194818712.db2.gz JWJSEUMTOKIOLK-DLBZAZTESA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424537922 1194820156 /nfs/dbraw/zinc/82/01/56/1194820156.db2.gz BTIASNMHBSVAFG-RYQLBKOJSA-N 2 0 390.532 0.157 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424518241 1194821334 /nfs/dbraw/zinc/82/13/34/1194821334.db2.gz HOKWXSWDBYTMJA-ZWKOTPCHSA-N 2 0 393.576 0.367 20 0 GCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424542917 1194822666 /nfs/dbraw/zinc/82/26/66/1194822666.db2.gz IUQYRMYJMGJCAH-ZWKOTPCHSA-N 2 0 392.548 0.500 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000424550654 1194823816 /nfs/dbraw/zinc/82/38/16/1194823816.db2.gz TVKLIORFJSDXAW-MXASKKJJSA-N 2 0 376.505 0.004 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424550370 1194823835 /nfs/dbraw/zinc/82/38/35/1194823835.db2.gz NHAZZDICSPIQSJ-BHYGNILZSA-N 2 0 376.505 0.054 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424551987 1194824116 /nfs/dbraw/zinc/82/41/16/1194824116.db2.gz XHZNXIPUTBQCJO-FGTMMUONSA-N 2 0 388.516 0.150 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)N1CC[NH+](C)CC1 ZINC000424558488 1194824857 /nfs/dbraw/zinc/82/48/57/1194824857.db2.gz WRHYYCOWCMOWRH-ZWKOTPCHSA-N 2 0 393.576 0.365 20 0 GCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000414798129 1194825475 /nfs/dbraw/zinc/82/54/75/1194825475.db2.gz DYYVMZOYVYQXPA-HNNXBMFYSA-N 2 0 387.484 0.411 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)c1 ZINC000414816966 1194830806 /nfs/dbraw/zinc/83/08/06/1194830806.db2.gz RDXSIMYSPHZGAX-UHFFFAOYSA-N 2 0 381.436 0.981 20 0 GCADRP CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[NH+](C)C ZINC000414843874 1194840030 /nfs/dbraw/zinc/84/00/30/1194840030.db2.gz OWORRPUKFAPSTG-INIZCTEOSA-N 2 0 391.520 0.307 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652730319 1194840990 /nfs/dbraw/zinc/84/09/90/1194840990.db2.gz SWQUVWHJTXNQMS-CADBVGFASA-N 2 0 394.560 0.922 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434353546 1194841298 /nfs/dbraw/zinc/84/12/98/1194841298.db2.gz WMZYSUMQLACNOR-LJQANCHMSA-N 2 0 381.565 0.693 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000414848294 1194855361 /nfs/dbraw/zinc/85/53/61/1194855361.db2.gz GKJYMMHNNSSLSU-HNNXBMFYSA-N 2 0 392.475 0.619 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000514667696 1194893146 /nfs/dbraw/zinc/89/31/46/1194893146.db2.gz NURZDLQRUNQGLZ-IAGOWNOFSA-N 2 0 380.533 0.546 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000664475363 1194895748 /nfs/dbraw/zinc/89/57/48/1194895748.db2.gz PSBFUXJWZRRHLJ-ZWKOTPCHSA-N 2 0 397.564 0.416 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000514727012 1194900341 /nfs/dbraw/zinc/90/03/41/1194900341.db2.gz MOZCYXXFESQLEL-KKUMJFAQSA-N 2 0 393.507 0.997 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000514810988 1194914625 /nfs/dbraw/zinc/91/46/25/1194914625.db2.gz WDVNVUGNMADGSM-UHFFFAOYSA-N 2 0 376.501 0.415 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425392473 1194941722 /nfs/dbraw/zinc/94/17/22/1194941722.db2.gz TUTQWSOXTUVWQJ-SOLBZPMBSA-N 2 0 378.517 0.251 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000515073861 1194945849 /nfs/dbraw/zinc/94/58/49/1194945849.db2.gz LPPQSZYMXSYWLV-FUHWJXTLSA-N 2 0 389.500 0.471 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425398512 1194951470 /nfs/dbraw/zinc/95/14/70/1194951470.db2.gz IEOXDAULYDRMLP-OKZBNKHCSA-N 2 0 380.533 0.498 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000515391412 1194970931 /nfs/dbraw/zinc/97/09/31/1194970931.db2.gz PCIUYSXREPCUDW-HDICACEKSA-N 2 0 393.576 0.604 20 0 GCADRP CN1CCN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000515405846 1194972789 /nfs/dbraw/zinc/97/27/89/1194972789.db2.gz JXALMEJLJVPTCZ-HXUWFJFHSA-N 2 0 388.560 0.873 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000515500875 1194978547 /nfs/dbraw/zinc/97/85/47/1194978547.db2.gz QNPLRKVHCIBJEA-NVXWUHKLSA-N 2 0 391.520 0.137 20 0 GCADRP COCC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000515500442 1194978667 /nfs/dbraw/zinc/97/86/67/1194978667.db2.gz VUFNUINTTDIXQD-YLJYHZDGSA-N 2 0 390.484 0.122 20 0 GCADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000425461862 1194984710 /nfs/dbraw/zinc/98/47/10/1194984710.db2.gz CTRUZDSWKYUYSP-QGZVFWFLSA-N 2 0 397.564 0.681 20 0 GCADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000436125507 1194986435 /nfs/dbraw/zinc/98/64/35/1194986435.db2.gz BEDVMRAVAUXLJW-SJORKVTESA-N 2 0 397.564 0.416 20 0 GCADRP C[C@]1(O)CCCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000285819656 1194990801 /nfs/dbraw/zinc/99/08/01/1194990801.db2.gz FMSBXNLOHCDBGW-FQEVSTJZSA-N 2 0 389.500 0.083 20 0 GCADRP Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000516139506 1195025536 /nfs/dbraw/zinc/02/55/36/1195025536.db2.gz BQTQHIFVUUCPOM-OAHLLOKOSA-N 2 0 380.493 0.162 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000516717641 1195088016 /nfs/dbraw/zinc/08/80/16/1195088016.db2.gz DWKXGIGAMIDSFA-MRXNPFEDSA-N 2 0 391.582 0.325 20 0 GCADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000516968625 1195117980 /nfs/dbraw/zinc/11/79/80/1195117980.db2.gz KCFYISWIEUPTKL-MRXNPFEDSA-N 2 0 375.473 0.774 20 0 GCADRP COc1cc(C)c(CN2CCN(C(=O)CN(C)[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000517154961 1195144191 /nfs/dbraw/zinc/14/41/91/1195144191.db2.gz USMRJGXZEGMOOQ-GOSISDBHSA-N 2 0 390.528 0.950 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000517198474 1195150783 /nfs/dbraw/zinc/15/07/83/1195150783.db2.gz FCTYYBQADXSSLT-MSOLQXFVSA-N 2 0 380.533 0.329 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000517641764 1195203297 /nfs/dbraw/zinc/20/32/97/1195203297.db2.gz WDMSQFWNGMCLCM-OAHLLOKOSA-N 2 0 391.516 0.447 20 0 GCADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000517720992 1195209718 /nfs/dbraw/zinc/20/97/18/1195209718.db2.gz DCKOXVZRJSJQMV-LJQANCHMSA-N 2 0 390.528 0.898 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000517755959 1195213708 /nfs/dbraw/zinc/21/37/08/1195213708.db2.gz AXKWLMJYFNGWCL-DLBZAZTESA-N 2 0 382.574 0.908 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000517974514 1195233241 /nfs/dbraw/zinc/23/32/41/1195233241.db2.gz YNJNKHCPPVOAKU-MOPGFXCFSA-N 2 0 391.560 0.215 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426124495 1195242337 /nfs/dbraw/zinc/24/23/37/1195242337.db2.gz SJJANENMXOHGHT-ZDUSSCGKSA-N 2 0 378.439 0.976 20 0 GCADRP CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)N1CCOCC1 ZINC000518081824 1195246394 /nfs/dbraw/zinc/24/63/94/1195246394.db2.gz YRVRULBXUIOYJN-IAGOWNOFSA-N 2 0 383.537 0.372 20 0 GCADRP CC(C)C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)N1CCOCC1 ZINC000518081823 1195246415 /nfs/dbraw/zinc/24/64/15/1195246415.db2.gz YRVRULBXUIOYJN-DLBZAZTESA-N 2 0 383.537 0.372 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCC(C)CC1 ZINC000518247550 1195271317 /nfs/dbraw/zinc/27/13/17/1195271317.db2.gz FKUQRWRTKVMBQV-QRQLOZEOSA-N 2 0 394.560 0.717 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(CCOC)c1 ZINC000438996228 1195276528 /nfs/dbraw/zinc/27/65/28/1195276528.db2.gz DMWAEQWLUZJTQX-INIZCTEOSA-N 2 0 387.550 0.566 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000518484544 1195295680 /nfs/dbraw/zinc/29/56/80/1195295680.db2.gz UOSGLGKDANJFQP-MSOLQXFVSA-N 2 0 392.544 0.642 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)cn(C)c1=O ZINC000439209064 1195296852 /nfs/dbraw/zinc/29/68/52/1195296852.db2.gz LMSWTAUZHFUXFT-MRXNPFEDSA-N 2 0 391.516 0.507 20 0 GCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000439347451 1195310969 /nfs/dbraw/zinc/31/09/69/1195310969.db2.gz VVIGAIFJLBNPCI-QGZVFWFLSA-N 2 0 387.528 0.925 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000518802355 1195335520 /nfs/dbraw/zinc/33/55/20/1195335520.db2.gz ALDBCYNZBUZALL-MJGOQNOKSA-N 2 0 391.560 0.214 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000519353639 1195395922 /nfs/dbraw/zinc/39/59/22/1195395922.db2.gz UDNLEKHCBBDIFJ-GOSISDBHSA-N 2 0 394.564 0.184 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)[NH+](C)C)c1 ZINC000550029562 1195408406 /nfs/dbraw/zinc/40/84/06/1195408406.db2.gz RFWMZZRDYVQELJ-YJBOKZPZSA-N 2 0 376.501 0.967 20 0 GCADRP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C(=O)NC[C@H]3CC[N@@H+](CC)C3)O2)C1 ZINC000426648112 1195413095 /nfs/dbraw/zinc/41/30/95/1195413095.db2.gz RMKBTOMRDBFANR-BDXSIMOUSA-N 2 0 380.533 0.450 20 0 GCADRP C[NH+]1CCC(CNC(=O)NC(C)(C)C[NH+]2CCCC2)(N2CCOCC2)CC1 ZINC000519527563 1195425876 /nfs/dbraw/zinc/42/58/76/1195425876.db2.gz GLOMYQDKVCDWAQ-UHFFFAOYSA-N 2 0 381.565 0.957 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000550094912 1195433368 /nfs/dbraw/zinc/43/33/68/1195433368.db2.gz LDESDWZVUARYLL-KRWDZBQOSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550098530 1195434652 /nfs/dbraw/zinc/43/46/52/1195434652.db2.gz VTOCPIDLDSZOSL-ZWKOTPCHSA-N 2 0 380.533 0.546 20 0 GCADRP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CCC(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000262042693 1195441723 /nfs/dbraw/zinc/44/17/23/1195441723.db2.gz HTYXIPDIIDMRDO-SFHVURJKSA-N 2 0 390.484 0.563 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000550133227 1195445326 /nfs/dbraw/zinc/44/53/26/1195445326.db2.gz NUQMWPOWJLLJQE-OALUTQOASA-N 2 0 394.560 0.861 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2nccn2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000519556671 1195445388 /nfs/dbraw/zinc/44/53/88/1195445388.db2.gz PCJKMOFIVAKSTN-SJLPKXTDSA-N 2 0 383.496 0.999 20 0 GCADRP CCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550133417 1195445516 /nfs/dbraw/zinc/44/55/16/1195445516.db2.gz NZKSCJYAAQLKKV-IYBDPMFKSA-N 2 0 382.549 0.981 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000519734351 1195567556 /nfs/dbraw/zinc/56/75/56/1195567556.db2.gz YBVLCJZAVUWWQR-FUHWJXTLSA-N 2 0 380.533 0.545 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000519861168 1195578827 /nfs/dbraw/zinc/57/88/27/1195578827.db2.gz KULPJLNLCZIHLM-INIZCTEOSA-N 2 0 398.529 0.905 20 0 GCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000520285071 1195615810 /nfs/dbraw/zinc/61/58/10/1195615810.db2.gz KSRJDWLWDJOTJF-APWZRJJASA-N 2 0 392.544 0.689 20 0 GCADRP NC(=O)c1ccc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000441259082 1195616597 /nfs/dbraw/zinc/61/65/97/1195616597.db2.gz MIQIGYQIUBCVON-UHFFFAOYSA-N 2 0 397.483 0.587 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCCC3)C2)CC1 ZINC000550323393 1195627750 /nfs/dbraw/zinc/62/77/50/1195627750.db2.gz ZJKQRAILIKMVRV-GOSISDBHSA-N 2 0 393.576 0.606 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)C1 ZINC000550358456 1195643515 /nfs/dbraw/zinc/64/35/15/1195643515.db2.gz APWSYDFUKSBMMI-MSOLQXFVSA-N 2 0 382.549 0.698 20 0 GCADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)C1 ZINC000550358458 1195643531 /nfs/dbraw/zinc/64/35/31/1195643531.db2.gz APWSYDFUKSBMMI-QZTJIDSGSA-N 2 0 382.549 0.698 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000550362415 1195644530 /nfs/dbraw/zinc/64/45/30/1195644530.db2.gz NZJODYWFLBYRFT-PKOBYXMFSA-N 2 0 393.576 0.460 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550364438 1195645037 /nfs/dbraw/zinc/64/50/37/1195645037.db2.gz FDPXVUNWZVXZNF-UHFFFAOYSA-N 2 0 381.565 0.463 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)C2)CC1 ZINC000550389448 1195653050 /nfs/dbraw/zinc/65/30/50/1195653050.db2.gz XNUPQTMCCLOFPG-QGZVFWFLSA-N 2 0 379.549 0.215 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)N1CC[NH+](C)CC1 ZINC000550386641 1195653587 /nfs/dbraw/zinc/65/35/87/1195653587.db2.gz KYBCFBDMTQASCL-KRWDZBQOSA-N 2 0 381.565 0.365 20 0 GCADRP COC(=O)C1CCN(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000331042268 1195717534 /nfs/dbraw/zinc/71/75/34/1195717534.db2.gz FFXLEWGDAYZPCD-UHFFFAOYSA-N 2 0 390.550 0.074 20 0 GCADRP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)COC ZINC000188935135 1195741261 /nfs/dbraw/zinc/74/12/61/1195741261.db2.gz AGYXIGGDXPVCCI-KSZLIROESA-N 2 0 382.549 0.983 20 0 GCADRP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)O1)C1CC[NH+](C)CC1 ZINC000330218665 1195784854 /nfs/dbraw/zinc/78/48/54/1195784854.db2.gz JOLGOAZFARVNFX-HDICACEKSA-N 2 0 380.533 0.639 20 0 GCADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000182985252 1195792118 /nfs/dbraw/zinc/79/21/18/1195792118.db2.gz FTWNUZCIXHEDJX-SFHVURJKSA-N 2 0 394.560 0.890 20 0 GCADRP C[NH+]1CCC[C@@H]2[C@H]1CCN2c1nc(C(N)=O)cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000895091907 1195804075 /nfs/dbraw/zinc/80/40/75/1195804075.db2.gz JYTZQSLJLINRFA-BSDSXHPESA-N 2 0 399.543 0.921 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000520628069 1195806214 /nfs/dbraw/zinc/80/62/14/1195806214.db2.gz JHWHLVIVBOMPPQ-LJQANCHMSA-N 2 0 393.576 0.604 20 0 GCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771813 1195852390 /nfs/dbraw/zinc/85/23/90/1195852390.db2.gz BSONHHSLKYSYML-OALUTQOASA-N 2 0 385.512 0.821 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000474020903 1195874207 /nfs/dbraw/zinc/87/42/07/1195874207.db2.gz LRUHQIDQGQWAPY-GOSISDBHSA-N 2 0 383.581 0.795 20 0 GCADRP C[C@@H](CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427796344 1195877737 /nfs/dbraw/zinc/87/77/37/1195877737.db2.gz JAZPCFYIURCWEB-QXCZDIPSSA-N 2 0 376.545 0.833 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NCCn1ccnc1)[NH+]1CCCC1 ZINC000550447038 1195881079 /nfs/dbraw/zinc/88/10/79/1195881079.db2.gz RCNGESVTJHOTJJ-KRWDZBQOSA-N 2 0 385.468 0.961 20 0 GCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000643397783 1195941944 /nfs/dbraw/zinc/94/19/44/1195941944.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 2 0 379.549 0.212 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000520977261 1195948058 /nfs/dbraw/zinc/94/80/58/1195948058.db2.gz DJJGXYZPEUSWSB-KRWDZBQOSA-N 2 0 396.557 0.751 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCCO1 ZINC000521233914 1195981104 /nfs/dbraw/zinc/98/11/04/1195981104.db2.gz WTTMMHPWFGTZIO-MSOLQXFVSA-N 2 0 380.533 0.548 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000521262020 1195982142 /nfs/dbraw/zinc/98/21/42/1195982142.db2.gz DEXGLPLWJJBLQP-UHFFFAOYSA-N 2 0 392.500 0.922 20 0 GCADRP CCCn1cc(CN2CCCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000521363755 1195991692 /nfs/dbraw/zinc/99/16/92/1195991692.db2.gz MUWGUAMIWWOYTF-GOSISDBHSA-N 2 0 377.537 0.414 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000521392874 1195994278 /nfs/dbraw/zinc/99/42/78/1195994278.db2.gz HXAJPSCCVDURAX-ZHALLVOQSA-N 2 0 392.544 0.641 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000521591242 1196005648 /nfs/dbraw/zinc/00/56/48/1196005648.db2.gz SDMMEYIHJIAXLM-UHFFFAOYSA-N 2 0 383.443 0.470 20 0 GCADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000443069847 1196018265 /nfs/dbraw/zinc/01/82/65/1196018265.db2.gz KQHNMSNUNQLWEQ-KRWDZBQOSA-N 2 0 394.541 0.580 20 0 GCADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000522014965 1196034684 /nfs/dbraw/zinc/03/46/84/1196034684.db2.gz RTIORQQKDLOORW-SJORKVTESA-N 2 0 387.484 0.237 20 0 GCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000550481821 1196053786 /nfs/dbraw/zinc/05/37/86/1196053786.db2.gz KMKUUHNCWCGIHD-MRXNPFEDSA-N 2 0 376.501 0.796 20 0 GCADRP C[C@@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000443516407 1196064101 /nfs/dbraw/zinc/06/41/01/1196064101.db2.gz MUZIGNQIBVURAB-SJORKVTESA-N 2 0 382.549 0.792 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000550518767 1196072929 /nfs/dbraw/zinc/07/29/29/1196072929.db2.gz IQEYWLDINNVQBQ-FUHWJXTLSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000550550054 1196083159 /nfs/dbraw/zinc/08/31/59/1196083159.db2.gz BMJFCXUEOFOBPG-KRWDZBQOSA-N 2 0 379.549 0.262 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895828960 1196114614 /nfs/dbraw/zinc/11/46/14/1196114614.db2.gz LXMHHDHEOXQUQR-SFHVURJKSA-N 2 0 394.560 0.650 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087971180 1196143901 /nfs/dbraw/zinc/14/39/01/1196143901.db2.gz JNNKGLPLXBLTHF-WCXIOVBPSA-N 2 0 391.516 0.049 20 0 GCADRP CCCCn1c(N)c(N(CC)C(=O)CN2CC[C@@H]([C@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828682 1196144755 /nfs/dbraw/zinc/14/47/55/1196144755.db2.gz XMMNPGAVEHLUFE-QWHCGFSZSA-N 2 0 380.493 0.353 20 0 GCADRP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C[C@@H](O)CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000329178966 1196172341 /nfs/dbraw/zinc/17/23/41/1196172341.db2.gz CWOWXCQGOCJCPA-DQCOHUIHSA-N 2 0 396.576 0.725 20 0 GCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329726844 1196227261 /nfs/dbraw/zinc/22/72/61/1196227261.db2.gz OOTIOSAMGJDNST-SQNIBIBYSA-N 2 0 380.533 0.498 20 0 GCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329726839 1196227271 /nfs/dbraw/zinc/22/72/71/1196227271.db2.gz OOTIOSAMGJDNST-KURKYZTESA-N 2 0 380.533 0.498 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000281530886 1196302442 /nfs/dbraw/zinc/30/24/42/1196302442.db2.gz JRENMXGBIMVVFG-UHFFFAOYSA-N 2 0 386.493 0.571 20 0 GCADRP COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281721223 1196325169 /nfs/dbraw/zinc/32/51/69/1196325169.db2.gz UOGPOOGLKNNXCK-RDJZCZTQSA-N 2 0 387.546 0.965 20 0 GCADRP O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000444170963 1196355284 /nfs/dbraw/zinc/35/52/84/1196355284.db2.gz UNUNUNVHONOEBD-MSOLQXFVSA-N 2 0 384.484 0.833 20 0 GCADRP C[NH+]1C[C@H]2CN(c3nc(C(N)=O)cc(N4C[C@H]5C[N@@H+](C)C[C@@]5(C)C4)n3)C[C@@]2(C)C1 ZINC000896911704 1196365387 /nfs/dbraw/zinc/36/53/87/1196365387.db2.gz ASADYBPZWHETFN-UGCQDJOBSA-N 2 0 399.543 0.351 20 0 GCADRP COc1ccccc1N1C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000103211773 1196374747 /nfs/dbraw/zinc/37/47/47/1196374747.db2.gz LMFWJZDCAVBDSF-MRXNPFEDSA-N 2 0 376.501 1.000 20 0 GCADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000301983340 1196437570 /nfs/dbraw/zinc/43/75/70/1196437570.db2.gz YKEIJYQABIDTKY-NVXWUHKLSA-N 2 0 388.516 0.604 20 0 GCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000665712770 1196446243 /nfs/dbraw/zinc/44/62/43/1196446243.db2.gz KZOKWHWKKADJLC-SFHVURJKSA-N 2 0 381.565 0.814 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665727939 1196450063 /nfs/dbraw/zinc/45/00/63/1196450063.db2.gz NYMIVJZTJAFODO-GOSISDBHSA-N 2 0 381.565 0.957 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000523701125 1196550914 /nfs/dbraw/zinc/55/09/14/1196550914.db2.gz AAWHAOJYYLSGDL-UHFFFAOYSA-N 2 0 383.581 0.892 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000524135649 1196577699 /nfs/dbraw/zinc/57/76/99/1196577699.db2.gz MNLITQVWEHAVKL-QRVBRYPASA-N 2 0 381.565 0.907 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000524139935 1196578147 /nfs/dbraw/zinc/57/81/47/1196578147.db2.gz HAZHNLAHQUQIOK-INIZCTEOSA-N 2 0 383.537 0.515 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000524419719 1196594477 /nfs/dbraw/zinc/59/44/77/1196594477.db2.gz YSFHNYOBZDMLGH-RBUKOAKNSA-N 2 0 387.528 0.997 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524619482 1196610965 /nfs/dbraw/zinc/61/09/65/1196610965.db2.gz UPIWPVYUVVTEQE-ROUUACIJSA-N 2 0 397.564 0.321 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446265263 1196630999 /nfs/dbraw/zinc/63/09/99/1196630999.db2.gz DCRMQZGBOAWJIP-BXTJHSDWSA-N 2 0 399.499 0.544 20 0 GCADRP CN(C)S(=O)(=O)c1ccccc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524936516 1196639745 /nfs/dbraw/zinc/63/97/45/1196639745.db2.gz MLRKCEGSDRWYCS-UHFFFAOYSA-N 2 0 399.561 0.572 20 0 GCADRP O=C([C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1)N1CC[NH2+]CC1 ZINC000469989104 1196653039 /nfs/dbraw/zinc/65/30/39/1196653039.db2.gz DPWOVNQWPMRWDJ-HNNXBMFYSA-N 2 0 379.530 0.624 20 0 GCADRP CCn1nccc1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000446720759 1196661298 /nfs/dbraw/zinc/66/12/98/1196661298.db2.gz XLVDTMHEUYHFFO-UHFFFAOYSA-N 2 0 385.472 0.565 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000525427483 1196680414 /nfs/dbraw/zinc/68/04/14/1196680414.db2.gz FLYAVJJHAXMYFX-UHFFFAOYSA-N 2 0 378.473 0.138 20 0 GCADRP COCCO[C@@H]1C[C@@H](CO)CN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000447065475 1196690993 /nfs/dbraw/zinc/69/09/93/1196690993.db2.gz ANZWWYJMHUZXRM-SJLPKXTDSA-N 2 0 379.505 0.074 20 0 GCADRP C[C@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c[nH]1 ZINC000525698410 1196701630 /nfs/dbraw/zinc/70/16/30/1196701630.db2.gz KFOKDBQAECUVAN-ZIAGYGMSSA-N 2 0 387.550 0.703 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000525882402 1196720894 /nfs/dbraw/zinc/72/08/94/1196720894.db2.gz DLGKOHDRXKLKGH-QGZVFWFLSA-N 2 0 387.528 0.954 20 0 GCADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000526088577 1196739784 /nfs/dbraw/zinc/73/97/84/1196739784.db2.gz LLNFXLVHMJPOQG-HNNXBMFYSA-N 2 0 376.505 0.936 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000526169967 1196743075 /nfs/dbraw/zinc/74/30/75/1196743075.db2.gz VXNZQZIVGGWVBQ-MRXNPFEDSA-N 2 0 390.488 0.394 20 0 GCADRP Cn1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c1nc1ccccn1c2=O ZINC000526403997 1196745265 /nfs/dbraw/zinc/74/52/65/1196745265.db2.gz IHTQSOJPNOEQCO-UHFFFAOYSA-N 2 0 384.484 0.752 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000527126442 1196765277 /nfs/dbraw/zinc/76/52/77/1196765277.db2.gz BPBBBLHTRFCDCZ-UHFFFAOYSA-N 2 0 381.525 0.172 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCO1 ZINC000418115597 1196780002 /nfs/dbraw/zinc/78/00/02/1196780002.db2.gz OSOQSXUKMACAMQ-DLBZAZTESA-N 2 0 383.537 0.516 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000527373743 1196784169 /nfs/dbraw/zinc/78/41/69/1196784169.db2.gz DJIAMJJMXRRTKA-INIZCTEOSA-N 2 0 392.500 0.745 20 0 GCADRP CCc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000527375471 1196784881 /nfs/dbraw/zinc/78/48/81/1196784881.db2.gz ZNNAZLKKUYGSKP-UHFFFAOYSA-N 2 0 385.534 0.854 20 0 GCADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000529374604 1196920113 /nfs/dbraw/zinc/92/01/13/1196920113.db2.gz GEGSDRQBVSKXKE-QXAKKESOSA-N 2 0 381.565 0.953 20 0 GCADRP COc1nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000450833218 1196956516 /nfs/dbraw/zinc/95/65/16/1196956516.db2.gz XTRVZDKMAGSMJH-DBPPKFAGSA-N 2 0 387.532 0.798 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391038347 1196960545 /nfs/dbraw/zinc/96/05/45/1196960545.db2.gz QCAYNIUDOIZHMN-MJGOQNOKSA-N 2 0 376.501 0.493 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1 ZINC000530570674 1196997137 /nfs/dbraw/zinc/99/71/37/1196997137.db2.gz HUQISEPRYOAZDH-OAHLLOKOSA-N 2 0 389.500 0.972 20 0 GCADRP CCCCS(=O)(=O)N1CCC(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000530881366 1197022949 /nfs/dbraw/zinc/02/29/49/1197022949.db2.gz ZMORYYKUTZNOOY-UHFFFAOYSA-N 2 0 390.594 0.780 20 0 GCADRP COC[C@@]1(CO)CC[N@H+](CC(=O)N2CCN(Cc3ccccc3C)CC2)C1 ZINC000451924156 1197026333 /nfs/dbraw/zinc/02/63/33/1197026333.db2.gz IHTCGJOAOXUVPV-NRFANRHFSA-N 2 0 375.513 0.970 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000451987357 1197029688 /nfs/dbraw/zinc/02/96/88/1197029688.db2.gz OKBBTDIVSFRIRU-UHFFFAOYSA-N 2 0 395.592 0.901 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC1 ZINC000451977060 1197031209 /nfs/dbraw/zinc/03/12/09/1197031209.db2.gz CKBXVOUWFUDKBJ-IBGZPJMESA-N 2 0 389.544 0.596 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000531006143 1197038204 /nfs/dbraw/zinc/03/82/04/1197038204.db2.gz OJHMDYFLPPWANK-UHFFFAOYSA-N 2 0 389.566 0.078 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000531050074 1197042630 /nfs/dbraw/zinc/04/26/30/1197042630.db2.gz RJNPGDHMBCMGBF-UHFFFAOYSA-N 2 0 388.560 0.738 20 0 GCADRP C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000531118492 1197047706 /nfs/dbraw/zinc/04/77/06/1197047706.db2.gz IEYHRIOYSHZWNI-HNAYVOBHSA-N 2 0 381.521 0.439 20 0 GCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452786329 1197081536 /nfs/dbraw/zinc/08/15/36/1197081536.db2.gz UXFRXOGFKVQEFX-GOSISDBHSA-N 2 0 375.517 0.557 20 0 GCADRP CNc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000531569529 1197085143 /nfs/dbraw/zinc/08/51/43/1197085143.db2.gz KTSFOVHXDJPBNH-CALCHBBNSA-N 2 0 386.548 0.684 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000531584718 1197085572 /nfs/dbraw/zinc/08/55/72/1197085572.db2.gz GZIMEUROZXTGCL-OALUTQOASA-N 2 0 380.581 0.432 20 0 GCADRP C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000452969729 1197090895 /nfs/dbraw/zinc/09/08/95/1197090895.db2.gz DJTYASOIMOKLEH-MQOFPFBISA-N 2 0 388.556 0.974 20 0 GCADRP CC1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@H](C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000452969730 1197090921 /nfs/dbraw/zinc/09/09/21/1197090921.db2.gz DJTYASOIMOKLEH-VTYCOLDWSA-N 2 0 388.556 0.974 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000531772535 1197096751 /nfs/dbraw/zinc/09/67/51/1197096751.db2.gz GWDPPTPRMHCTRK-LJQANCHMSA-N 2 0 375.473 0.307 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000453713327 1197125238 /nfs/dbraw/zinc/12/52/38/1197125238.db2.gz UOJHELUOUDQNNB-INIZCTEOSA-N 2 0 387.488 0.542 20 0 GCADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000532264894 1197132323 /nfs/dbraw/zinc/13/23/23/1197132323.db2.gz FFMKCTDTZPCBEQ-BHIYHBOVSA-N 2 0 381.565 0.547 20 0 GCADRP C[NH+](C)CCn1nnnc1SCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000532273711 1197133278 /nfs/dbraw/zinc/13/32/78/1197133278.db2.gz NQDYCKFOTROHBM-OAHLLOKOSA-N 2 0 377.518 0.746 20 0 GCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000453802062 1197137693 /nfs/dbraw/zinc/13/76/93/1197137693.db2.gz BDRDTUGEYJLTQC-QGZVFWFLSA-N 2 0 376.501 0.958 20 0 GCADRP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532334097 1197145563 /nfs/dbraw/zinc/14/55/63/1197145563.db2.gz WBZXZXYZFXCNPS-DACLVMHWSA-N 2 0 378.517 0.201 20 0 GCADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000179285914 1197197684 /nfs/dbraw/zinc/19/76/84/1197197684.db2.gz AEKPGVCDTHIISQ-GOSISDBHSA-N 2 0 381.565 0.766 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000186949476 1197229862 /nfs/dbraw/zinc/22/98/62/1197229862.db2.gz ZESJLHCHGZFFLS-RCCFBDPRSA-N 2 0 394.560 0.623 20 0 GCADRP O=C(CNC(=O)c1[nH]nc2c1C[NH2+]CC2)N1CCN(Cc2ccccc2)CC1 ZINC000188752393 1197234012 /nfs/dbraw/zinc/23/40/12/1197234012.db2.gz ZLLTYIVYYXECTP-UHFFFAOYSA-N 2 0 382.468 0.130 20 0 GCADRP CC(=O)N1CCN(Cc2ccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)cc2)CC1 ZINC000188998561 1197234361 /nfs/dbraw/zinc/23/43/61/1197234361.db2.gz XPNXDXGKXLIVCT-UHFFFAOYSA-N 2 0 382.468 0.972 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000105322789 1197326758 /nfs/dbraw/zinc/32/67/58/1197326758.db2.gz DCVWCLIINIHSDQ-CVEARBPZSA-N 2 0 376.505 0.716 20 0 GCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000897463165 1197338359 /nfs/dbraw/zinc/33/83/59/1197338359.db2.gz BSTJZCNOJMKPNB-KRWDZBQOSA-N 2 0 389.500 0.347 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000120876793 1197342496 /nfs/dbraw/zinc/34/24/96/1197342496.db2.gz QLAIGGZQIFHEGJ-ROUUACIJSA-N 2 0 379.549 0.912 20 0 GCADRP C[C@H]1CN(C(=O)NCc2cnc(N(C)C)n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536544461 1197356680 /nfs/dbraw/zinc/35/66/80/1197356680.db2.gz IQWFVEUKAFHFNT-DOTOQJQBSA-N 2 0 377.537 0.654 20 0 GCADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000666670448 1197363106 /nfs/dbraw/zinc/36/31/06/1197363106.db2.gz VGRQYABFUMYMGV-SFHVURJKSA-N 2 0 390.484 0.676 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418841970 1197369655 /nfs/dbraw/zinc/36/96/55/1197369655.db2.gz ZKAOYJFUABWBSH-ZBFHGGJFSA-N 2 0 392.500 0.539 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418866767 1197384585 /nfs/dbraw/zinc/38/45/85/1197384585.db2.gz TUXGKFHNZBRKJW-OAQYLSRUSA-N 2 0 387.528 0.118 20 0 GCADRP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000194926473 1197400311 /nfs/dbraw/zinc/40/03/11/1197400311.db2.gz XKQOTLIEGITOMZ-CALCHBBNSA-N 2 0 385.512 0.787 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000245419406 1197403731 /nfs/dbraw/zinc/40/37/31/1197403731.db2.gz LTTJHGRXCMCNAA-PKOBYXMFSA-N 2 0 392.544 0.642 20 0 GCADRP COC[C@H](CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897499534 1197413843 /nfs/dbraw/zinc/41/38/43/1197413843.db2.gz IULKDRSJKDDPHJ-JYJNAYRXSA-N 2 0 382.549 0.979 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000419218160 1197413887 /nfs/dbraw/zinc/41/38/87/1197413887.db2.gz RPBMTIRPXPXTRJ-UHFFFAOYSA-N 2 0 376.501 0.701 20 0 GCADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000245931301 1197439938 /nfs/dbraw/zinc/43/99/38/1197439938.db2.gz QIVBQIDDXNYGNJ-DLBZAZTESA-N 2 0 386.496 0.355 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246348494 1197465302 /nfs/dbraw/zinc/46/53/02/1197465302.db2.gz NETSNISCKKXGPE-FGTMMUONSA-N 2 0 379.549 0.071 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246348504 1197465372 /nfs/dbraw/zinc/46/53/72/1197465372.db2.gz NETSNISCKKXGPE-OKZBNKHCSA-N 2 0 379.549 0.071 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000246371425 1197466313 /nfs/dbraw/zinc/46/63/13/1197466313.db2.gz QHEUWLYIUUYCCV-IRXDYDNUSA-N 2 0 377.537 0.959 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC1=O ZINC000074367245 1197472284 /nfs/dbraw/zinc/47/22/84/1197472284.db2.gz MTTSGPZOPYQUPS-QGZVFWFLSA-N 2 0 380.533 0.548 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1=O ZINC000249296691 1197482584 /nfs/dbraw/zinc/48/25/84/1197482584.db2.gz MPAFHPKTAPXSLA-CEXWTWQISA-N 2 0 393.576 0.461 20 0 GCADRP C[NH+]1CCCC[C@H]1C(=O)N1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000614909696 1197486664 /nfs/dbraw/zinc/48/66/64/1197486664.db2.gz WFRHVHUKHFJNEZ-ROUUACIJSA-N 2 0 379.549 0.215 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000897529558 1197492511 /nfs/dbraw/zinc/49/25/11/1197492511.db2.gz OVMMIRRTLWHVIG-MRXNPFEDSA-N 2 0 389.500 0.346 20 0 GCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261758425 1197513517 /nfs/dbraw/zinc/51/35/17/1197513517.db2.gz FUMRJTYVAJNQHU-AEFFLSMTSA-N 3 0 379.549 0.167 20 0 GCADRP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261789490 1197514458 /nfs/dbraw/zinc/51/44/58/1197514458.db2.gz HYTLMQZWKMEWNN-PKOBYXMFSA-N 2 0 388.512 0.892 20 0 GCADRP O=C(CC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1)N1CC[NH2+]CC1 ZINC000262066385 1197524077 /nfs/dbraw/zinc/52/40/77/1197524077.db2.gz JPWTTZQNGLMQIC-UHFFFAOYSA-N 2 0 384.484 0.275 20 0 GCADRP COc1ccc(C(=O)N2CCN(CCC(=O)N3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000262215083 1197527179 /nfs/dbraw/zinc/52/71/79/1197527179.db2.gz UBYAJSMDFPGWOB-UHFFFAOYSA-N 2 0 390.484 0.284 20 0 GCADRP C[NH+](C)CCn1nccc1NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000455644589 1197558364 /nfs/dbraw/zinc/55/83/64/1197558364.db2.gz GKAMGWBUPXOBPY-UHFFFAOYSA-N 2 0 379.509 0.558 20 0 GCADRP Cc1nccn1CCCCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000508737093 1197567740 /nfs/dbraw/zinc/56/77/40/1197567740.db2.gz NKNSGIJRRUPJPK-UHFFFAOYSA-N 2 0 379.505 0.393 20 0 GCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCF ZINC000282298499 1198963723 /nfs/dbraw/zinc/96/37/23/1198963723.db2.gz WWSNRSCDUINWOZ-HNNXBMFYSA-N 2 0 380.468 0.367 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000672001859 1198994800 /nfs/dbraw/zinc/99/48/00/1198994800.db2.gz WXIZCHFEKKTNTB-UHFFFAOYSA-N 2 0 397.483 0.018 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009473 1199001420 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SQHPNSHIXIGMTG-MRXNPFEDSA-N 2 0 391.582 0.372 20 0 GCADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465828590 1199077934 /nfs/dbraw/zinc/07/79/34/1199077934.db2.gz CCCJTLYMABQQMA-MSOLQXFVSA-N 2 0 396.580 0.112 20 0 GCADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000626921395 1199080296 /nfs/dbraw/zinc/08/02/96/1199080296.db2.gz ZXLFLJDSAAJMIP-QGZVFWFLSA-N 2 0 391.520 0.647 20 0 GCADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627307725 1199156898 /nfs/dbraw/zinc/15/68/98/1199156898.db2.gz VDNGRXRDFPMTOU-OCCSQVGLSA-N 2 0 378.439 0.963 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206936 1199160129 /nfs/dbraw/zinc/16/01/29/1199160129.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 2 0 379.549 0.212 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH+](C)CC1 ZINC000656288361 1199161259 /nfs/dbraw/zinc/16/12/59/1199161259.db2.gz AYHQHYLJZHJBDR-QRVBRYPASA-N 2 0 393.576 0.508 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672304468 1199196641 /nfs/dbraw/zinc/19/66/41/1199196641.db2.gz VFJDZXSTRAAJPC-QGZVFWFLSA-N 2 0 378.517 0.348 20 0 GCADRP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1CCOC ZINC000672304132 1199198056 /nfs/dbraw/zinc/19/80/56/1199198056.db2.gz IRNIIYXTCSGAJJ-QZTJIDSGSA-N 2 0 380.533 0.546 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000672306459 1199200477 /nfs/dbraw/zinc/20/04/77/1199200477.db2.gz JSFVXAQRZQAFEX-GOSISDBHSA-N 2 0 376.476 0.974 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000499518038 1199203303 /nfs/dbraw/zinc/20/33/03/1199203303.db2.gz GNIXDDFATFMGNK-QGZVFWFLSA-N 2 0 388.578 0.533 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313437 1199204748 /nfs/dbraw/zinc/20/47/48/1199204748.db2.gz CXNVHRSMAUEXAQ-KRWDZBQOSA-N 2 0 380.533 0.737 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000672358016 1199215197 /nfs/dbraw/zinc/21/51/97/1199215197.db2.gz NXFNFBGSGSEDGV-MOPGFXCFSA-N 2 0 388.512 0.556 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949041 1199216896 /nfs/dbraw/zinc/21/68/96/1199216896.db2.gz MMTBYZIKMJUUKH-SJORKVTESA-N 2 0 383.537 0.326 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C)nc2N2CCCC2)C1 ZINC000672358615 1199218464 /nfs/dbraw/zinc/21/84/64/1199218464.db2.gz IVXZHPZWAFRJMU-QGZVFWFLSA-N 2 0 389.500 0.443 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465956325 1199224266 /nfs/dbraw/zinc/22/42/66/1199224266.db2.gz XMFBEFSEORYKIR-MRXNPFEDSA-N 2 0 383.537 0.326 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000672593336 1199276382 /nfs/dbraw/zinc/27/63/82/1199276382.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 2 0 379.549 0.212 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638511 1199289205 /nfs/dbraw/zinc/28/92/05/1199289205.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 2 0 393.576 0.365 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637334 1199289511 /nfs/dbraw/zinc/28/95/11/1199289511.db2.gz FAHJCBXESLGMID-QGZVFWFLSA-N 2 0 391.560 0.358 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640420 1199293510 /nfs/dbraw/zinc/29/35/10/1199293510.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 2 0 377.533 0.038 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640474 1199294103 /nfs/dbraw/zinc/29/41/03/1199294103.db2.gz JHTSYPCHRHCLDP-SFHVURJKSA-N 2 0 395.592 0.852 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672642479 1199300227 /nfs/dbraw/zinc/30/02/27/1199300227.db2.gz BMQDISWDHHQYCN-DLBZAZTESA-N 2 0 379.549 0.260 20 0 GCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642504 1199300338 /nfs/dbraw/zinc/30/03/38/1199300338.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 2 0 379.549 0.070 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302241 /nfs/dbraw/zinc/30/22/41/1199302241.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 2 0 393.576 0.602 20 0 GCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672641799 1199303162 /nfs/dbraw/zinc/30/31/62/1199303162.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 2 0 379.549 0.071 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641630 1199303622 /nfs/dbraw/zinc/30/36/22/1199303622.db2.gz VAKNNIAAJMWZEE-MRXNPFEDSA-N 2 0 379.549 0.214 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643051 1199304756 /nfs/dbraw/zinc/30/47/56/1199304756.db2.gz NNLLWSQBRZWBBZ-IEBWSBKVSA-N 2 0 391.560 0.358 20 0 GCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000672694209 1199314615 /nfs/dbraw/zinc/31/46/15/1199314615.db2.gz QJBIYMHENRJMGH-GUDVDZBRSA-N 2 0 393.576 0.461 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000672695643 1199316146 /nfs/dbraw/zinc/31/61/46/1199316146.db2.gz GUMKCRRENTYLFX-KRWDZBQOSA-N 2 0 381.565 0.461 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000672697262 1199318683 /nfs/dbraw/zinc/31/86/83/1199318683.db2.gz PPKKPAMGCZWFEU-MSOLQXFVSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000265807904 1199324472 /nfs/dbraw/zinc/32/44/72/1199324472.db2.gz KXZQQYQLMYLDPI-INIZCTEOSA-N 2 0 375.517 0.686 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672815282 1199343100 /nfs/dbraw/zinc/34/31/00/1199343100.db2.gz ZBCQWAJPDSSRJB-INIZCTEOSA-N 2 0 383.537 0.027 20 0 GCADRP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672980081 1199385027 /nfs/dbraw/zinc/38/50/27/1199385027.db2.gz PURACGKRXULBJP-QGZVFWFLSA-N 2 0 379.549 0.214 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC[C@H]21 ZINC000673014780 1199394494 /nfs/dbraw/zinc/39/44/94/1199394494.db2.gz XMEOERWNPKVOJY-ZHALLVOQSA-N 2 0 392.544 0.546 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000673014257 1199394816 /nfs/dbraw/zinc/39/48/16/1199394816.db2.gz GEQCUWFBKKHIGL-AEFFLSMTSA-N 2 0 380.533 0.593 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC[C@H]21 ZINC000673014779 1199394844 /nfs/dbraw/zinc/39/48/44/1199394844.db2.gz XMEOERWNPKVOJY-YQVWRLOYSA-N 2 0 392.544 0.546 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000673224376 1199487775 /nfs/dbraw/zinc/48/77/75/1199487775.db2.gz KUIOLHBKOVWEEO-IRXDYDNUSA-N 2 0 381.565 0.317 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000466147495 1199495958 /nfs/dbraw/zinc/49/59/58/1199495958.db2.gz SPBOJRFUBSMJKT-UXHICEINSA-N 3 0 396.624 0.927 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627350918 1199559060 /nfs/dbraw/zinc/55/90/60/1199559060.db2.gz FSHNIYPRUNVWEA-ROUUACIJSA-N 2 0 376.501 0.160 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000673427468 1199632464 /nfs/dbraw/zinc/63/24/64/1199632464.db2.gz MAPSKEOPGGXDJA-QGZVFWFLSA-N 2 0 389.500 0.347 20 0 GCADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000922342824 1199735497 /nfs/dbraw/zinc/73/54/97/1199735497.db2.gz IQCVJPHNUDKDDA-HXUWFJFHSA-N 2 0 395.592 0.315 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673584805 1199828545 /nfs/dbraw/zinc/82/85/45/1199828545.db2.gz JVALGACTULSXQS-IPMKNSEASA-N 2 0 392.544 0.567 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673585321 1199829019 /nfs/dbraw/zinc/82/90/19/1199829019.db2.gz ZUZWOZQVUCFHCJ-UHOSZYNNSA-N 2 0 392.544 0.425 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000673584036 1199830801 /nfs/dbraw/zinc/83/08/01/1199830801.db2.gz JNQOHJRLQSOERC-WBAXXEDZSA-N 2 0 380.533 0.327 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC[NH+](C)CC1 ZINC000673584033 1199831258 /nfs/dbraw/zinc/83/12/58/1199831258.db2.gz JNQOHJRLQSOERC-BMGDILEWSA-N 2 0 380.533 0.327 20 0 GCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)CC1 ZINC000125251626 1199875535 /nfs/dbraw/zinc/87/55/35/1199875535.db2.gz GEEUWMVQTQQACG-GOSISDBHSA-N 2 0 376.501 0.896 20 0 GCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673706985 1199931080 /nfs/dbraw/zinc/93/10/80/1199931080.db2.gz MHOBTCADXTYOBL-PMACEKPBSA-N 2 0 393.576 0.766 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000625465410 1199964107 /nfs/dbraw/zinc/96/41/07/1199964107.db2.gz NLMMXGBJATYUOC-HXUWFJFHSA-N 2 0 392.500 0.285 20 0 GCADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000625603983 1200081044 /nfs/dbraw/zinc/08/10/44/1200081044.db2.gz BORWXGUPTNXVFA-ROUUACIJSA-N 2 0 392.544 0.642 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1C ZINC000674030867 1200126981 /nfs/dbraw/zinc/12/69/81/1200126981.db2.gz OVSUTRGKBURVAI-QYZOEREBSA-N 2 0 381.565 0.907 20 0 GCADRP Cc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c(OCC[NH+](C)C)c1 ZINC000265913208 1200238655 /nfs/dbraw/zinc/23/86/55/1200238655.db2.gz RCUIULMPOBFANP-UHFFFAOYSA-N 2 0 392.500 0.447 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000172304503 1200270615 /nfs/dbraw/zinc/27/06/15/1200270615.db2.gz ZLPLSVWDTZREIO-UHFFFAOYSA-N 2 0 387.528 0.975 20 0 GCADRP CSCC[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804084119 1200491513 /nfs/dbraw/zinc/49/15/13/1200491513.db2.gz MUMYPHIETDVPEQ-INIZCTEOSA-N 2 0 393.557 0.968 20 0 GCADRP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000377034706 1200640750 /nfs/dbraw/zinc/64/07/50/1200640750.db2.gz XIKXIPDEKFFQKY-SJLPKXTDSA-N 2 0 398.511 1.162 20 0 GCADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccn(CC[NH+](C)C)n1)C2 ZINC000376832248 1200641982 /nfs/dbraw/zinc/64/19/82/1200641982.db2.gz UXFDQFJEONURTF-MQVJKMGUSA-N 2 0 391.520 0.650 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373250199 1200660562 /nfs/dbraw/zinc/66/05/62/1200660562.db2.gz OCWFFECNJKLDDQ-INIZCTEOSA-N 2 0 390.532 1.421 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCC[NH+]3CCCCCC3)n2)CC1 ZINC000373326470 1200672974 /nfs/dbraw/zinc/67/29/74/1200672974.db2.gz XKJFWRURFIGTBM-UHFFFAOYSA-N 2 0 390.532 1.471 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)n2)CC1 ZINC000408369647 1200673012 /nfs/dbraw/zinc/67/30/12/1200673012.db2.gz ACPQUENOXUVGAX-RDJZCZTQSA-N 2 0 388.516 1.031 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1CCCC1 ZINC000372952389 1200760054 /nfs/dbraw/zinc/76/00/54/1200760054.db2.gz RQZFEOLADSBLHN-KRWDZBQOSA-N 2 0 390.532 1.325 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000477030004 1200789140 /nfs/dbraw/zinc/78/91/40/1200789140.db2.gz UYENIWNXRGVVLJ-QFBILLFUSA-N 2 0 390.528 0.716 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000477063632 1200810400 /nfs/dbraw/zinc/81/04/00/1200810400.db2.gz IXNZFERRPRZPQF-JQHSSLGASA-N 2 0 382.549 0.717 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000365937115 1200844042 /nfs/dbraw/zinc/84/40/42/1200844042.db2.gz PENVHHTUKWZMRD-INIZCTEOSA-N 2 0 390.532 1.279 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000365937117 1200845343 /nfs/dbraw/zinc/84/53/43/1200845343.db2.gz PENVHHTUKWZMRD-MRXNPFEDSA-N 2 0 390.532 1.279 20 0 GCADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000377326190 1200847547 /nfs/dbraw/zinc/84/75/47/1200847547.db2.gz BEITUGHIHHBSOG-UHFFFAOYSA-N 2 0 390.532 1.423 20 0 GCADRP COC(=O)C1(C)CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001168762603 1200925789 /nfs/dbraw/zinc/92/57/89/1200925789.db2.gz VRUDMHFRDPFXLM-UHFFFAOYSA-N 2 0 390.521 0.723 20 0 GCADRP CN1CCN(S(=O)(=O)N2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000923307725 1200934645 /nfs/dbraw/zinc/93/46/45/1200934645.db2.gz UJJMXRLZAUAOOL-AYHJJNSGSA-N 2 0 385.578 0.017 20 0 GCADRP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923376902 1200972713 /nfs/dbraw/zinc/97/27/13/1200972713.db2.gz DVWGXLVREUJAMY-GUDVDZBRSA-N 2 0 388.512 0.955 20 0 GCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000923486772 1201036907 /nfs/dbraw/zinc/03/69/07/1201036907.db2.gz JRASOHMDHDWIHU-QGZVFWFLSA-N 2 0 394.541 0.331 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365940569 1201053009 /nfs/dbraw/zinc/05/30/09/1201053009.db2.gz IXMPEOHKJZOSFG-CVEARBPZSA-N 2 0 390.532 1.325 20 0 GCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448508389 1201070896 /nfs/dbraw/zinc/07/08/96/1201070896.db2.gz SAUCPZWZYGMITF-FUHWJXTLSA-N 2 0 398.511 1.335 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000672015119 1201193051 /nfs/dbraw/zinc/19/30/51/1201193051.db2.gz QXRRKFSQOJFIRF-INIZCTEOSA-N 2 0 380.533 0.404 20 0 GCADRP C[NH+]1CC[C@H]2OCCN(CCCCCN3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000497128339 1201194413 /nfs/dbraw/zinc/19/44/13/1201194413.db2.gz ZWVOEZNWWTTWQR-FXELSEDVSA-N 2 0 380.577 0.967 20 0 GCADRP COC(=O)[C@H](O)C1CC[NH+](C/C=C/C[NH+]2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000611151925 1201220437 /nfs/dbraw/zinc/22/04/37/1201220437.db2.gz RDQKIMQGIXQKBO-GEWVGOBGSA-N 2 0 398.500 0.034 20 0 GCADRP CC[C@@H]1CN(CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000495003875 1201296080 /nfs/dbraw/zinc/29/60/80/1201296080.db2.gz DPYUFWCIJVXVHW-QGZVFWFLSA-N 2 0 383.537 0.339 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(CC)c3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699355 1201301454 /nfs/dbraw/zinc/30/14/54/1201301454.db2.gz RLGRRBYVXNABLN-WJFTUGDTSA-N 2 0 377.533 0.991 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000727076421 1201332869 /nfs/dbraw/zinc/33/28/69/1201332869.db2.gz HHLVSOJCMRHSTN-KRWDZBQOSA-N 2 0 385.622 0.692 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)CC[N@@H+]1C ZINC001082521838 1201337802 /nfs/dbraw/zinc/33/78/02/1201337802.db2.gz BJRPYLZLWAAVQA-QKPAOTATSA-N 2 0 393.532 0.484 20 0 GCADRP CCNC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000527374186 1201362611 /nfs/dbraw/zinc/36/26/11/1201362611.db2.gz XHHDXWCCPRPSGE-UHFFFAOYSA-N 2 0 391.516 0.635 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083087339 1201384034 /nfs/dbraw/zinc/38/40/34/1201384034.db2.gz DCWWQXWHSKJJOE-ZSYWTGECSA-N 2 0 375.517 0.605 20 0 GCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000497513470 1201403978 /nfs/dbraw/zinc/40/39/78/1201403978.db2.gz ZPXIMOHDWURISN-VXPDMUIRSA-N 2 0 380.577 0.699 20 0 GCADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000731134803 1201473795 /nfs/dbraw/zinc/47/37/95/1201473795.db2.gz QYCYSCTVRUDTAK-QGZVFWFLSA-N 2 0 385.512 0.977 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCOCC4)[C@H]3C2)CC[N@@H+]1C ZINC001084944868 1201502652 /nfs/dbraw/zinc/50/26/52/1201502652.db2.gz SWIMHIZOQYSIDJ-HCXYKTFWSA-N 2 0 392.544 0.498 20 0 GCADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734268026 1201649001 /nfs/dbraw/zinc/64/90/01/1201649001.db2.gz UTALSJRHNKDBBD-GOSISDBHSA-N 2 0 381.565 0.955 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000737048673 1201719836 /nfs/dbraw/zinc/71/98/36/1201719836.db2.gz YAMNNUUYULCZEY-IBGZPJMESA-N 2 0 381.565 0.957 20 0 GCADRP CN(c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000737088726 1201720202 /nfs/dbraw/zinc/72/02/02/1201720202.db2.gz OTBLXDKIKZRGMM-GOSISDBHSA-N 2 0 391.516 0.194 20 0 GCADRP C[NH+]1CC[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000742567669 1201802035 /nfs/dbraw/zinc/80/20/35/1201802035.db2.gz SRKVBZFTOATQAP-TXEJJXNPSA-N 2 0 382.402 0.393 20 0 GCADRP CCC[C@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC[N@@H+]1CCOC ZINC000766377361 1201920889 /nfs/dbraw/zinc/92/08/89/1201920889.db2.gz AETHUIXVOBLXOW-INIZCTEOSA-N 2 0 381.521 0.393 20 0 GCADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc([C@H]4CC5(C[NH2+]C5)C(=O)N4)cc3)n2)c1 ZINC001168885050 1201928202 /nfs/dbraw/zinc/92/82/02/1201928202.db2.gz RAKFMDJKDOYODE-QGZVFWFLSA-N 2 0 375.436 0.939 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=[NH2+])SCC[NH3+] ZINC001169172179 1201936838 /nfs/dbraw/zinc/93/68/38/1201936838.db2.gz LDUQPQFONOZWBQ-NSHDSACASA-N 2 0 381.506 0.209 20 0 GCADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC(=O)CCC(=O)CCC(=O)CC[NH3+])CO1 ZINC001169347820 1201942625 /nfs/dbraw/zinc/94/26/25/1201942625.db2.gz CMWCENOLVWDTML-KBXCAEBGSA-N 2 0 384.473 0.693 20 0 GCADRP CC(=O)N1CC[C@H](N2CCC([NH+]3CCC(N4CC[NH+](C)CC4)CC3)CC2)C1 ZINC001169563053 1201951266 /nfs/dbraw/zinc/95/12/66/1201951266.db2.gz KLJZLHGTXXBLGP-NRFANRHFSA-N 2 0 377.577 0.783 20 0 GCADRP CC(=O)N1CC[C@@H](N2CCC([NH+]3CCC(N4CC[NH+](C)CC4)CC3)CC2)C1 ZINC001169563054 1201951283 /nfs/dbraw/zinc/95/12/83/1201951283.db2.gz KLJZLHGTXXBLGP-OAQYLSRUSA-N 2 0 377.577 0.783 20 0 GCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109419574 1202042172 /nfs/dbraw/zinc/04/21/72/1202042172.db2.gz WEYRGGKVHKLWLS-RDGPPVDQSA-N 2 0 380.533 0.735 20 0 GCADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001109463917 1202057138 /nfs/dbraw/zinc/05/71/38/1202057138.db2.gz CRNHPOXQNWZOGN-NCOADZHNSA-N 2 0 380.533 0.422 20 0 GCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](O)CN2CCCC2=O)CC1 ZINC001109649823 1202098155 /nfs/dbraw/zinc/09/81/55/1202098155.db2.gz GBHVWCVAVWLZGT-NCOADZHNSA-N 2 0 378.517 0.033 20 0 GCADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719335 1202111432 /nfs/dbraw/zinc/11/14/32/1202111432.db2.gz DVLVBHUHHFUFLQ-SQNIBIBYSA-N 2 0 380.533 0.593 20 0 GCADRP CC(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847675 1202135054 /nfs/dbraw/zinc/13/50/54/1202135054.db2.gz BLTUHLYZDJLXHB-IKGGRYGDSA-N 2 0 381.521 0.138 20 0 GCADRP [NH3+]Cc1ccc2nnn(-c3ccc(S(=O)(=O)NC4CC[NH2+]CC4)cc3)c2c1 ZINC001170026130 1202137218 /nfs/dbraw/zinc/13/72/18/1202137218.db2.gz KYWRXAKOZKGDJI-UHFFFAOYSA-N 2 0 386.481 0.910 20 0 GCADRP NC(=O)NC(=O)OCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000772216735 1202176694 /nfs/dbraw/zinc/17/66/94/1202176694.db2.gz BCFWDWGFVMQXAC-UHFFFAOYSA-N 2 0 397.520 0.886 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787909848 1205407335 /nfs/dbraw/zinc/40/73/35/1205407335.db2.gz KLYOMSARAMLPHZ-HCXYKTFWSA-N 2 0 394.560 0.840 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCSC1 ZINC000788252799 1205417492 /nfs/dbraw/zinc/41/74/92/1205417492.db2.gz QFVJPCZKCPINBU-APWZRJJASA-N 2 0 398.573 0.300 20 0 GCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nnnn1C1CC1 ZINC000790265114 1205461082 /nfs/dbraw/zinc/46/10/82/1205461082.db2.gz RGVAWYHFUUUIFD-OAHLLOKOSA-N 2 0 399.503 0.976 20 0 GCADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nnnn1C1CC1 ZINC000790265113 1205461181 /nfs/dbraw/zinc/46/11/81/1205461181.db2.gz RGVAWYHFUUUIFD-HNNXBMFYSA-N 2 0 399.503 0.976 20 0 GCADRP O=C(C[NH+]1CCCC1)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790360995 1205462627 /nfs/dbraw/zinc/46/26/27/1205462627.db2.gz APRWFCDZLVAFCJ-FQEVSTJZSA-N 2 0 391.516 0.101 20 0 GCADRP C[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000790376099 1205463634 /nfs/dbraw/zinc/46/36/34/1205463634.db2.gz VNLGWLMEJLJCQO-QFUCXCTJSA-N 2 0 391.560 0.818 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1 ZINC000790372369 1205463644 /nfs/dbraw/zinc/46/36/44/1205463644.db2.gz VSMYCCVMMVDFRR-AZUAARDMSA-N 2 0 377.533 0.572 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1 ZINC000790372373 1205463731 /nfs/dbraw/zinc/46/37/31/1205463731.db2.gz VSMYCCVMMVDFRR-ICSRJNTNSA-N 2 0 377.533 0.572 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1 ZINC000790372376 1205463797 /nfs/dbraw/zinc/46/37/97/1205463797.db2.gz VSMYCCVMMVDFRR-QUCCMNQESA-N 2 0 377.533 0.572 20 0 GCADRP COc1nccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170388489 1205491294 /nfs/dbraw/zinc/49/12/94/1205491294.db2.gz NBZKFILXGXXAEI-NZEYMJGSSA-N 2 0 397.520 0.759 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc[n+]2[O-])[C@H](O)OC(C)(C)C)C1 ZINC001170389385 1205491301 /nfs/dbraw/zinc/49/13/01/1205491301.db2.gz CPSPMRDJRZAYKW-OLEVXBPZSA-N 2 0 382.505 0.593 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C[NH3+])ccn2)[C@H](O)OC(C)(C)C)C1 ZINC001170387440 1205491302 /nfs/dbraw/zinc/49/13/02/1205491302.db2.gz GPRYUTAKEZEFQD-BGJMDTOESA-N 3 0 395.548 0.814 20 0 GCADRP CNc1ccnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])n1 ZINC001170387932 1205491313 /nfs/dbraw/zinc/49/13/13/1205491313.db2.gz ILHVLPCROZZTKQ-NZEYMJGSSA-N 2 0 396.536 0.792 20 0 GCADRP Cc1cc[n+]([O-])c(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170388301 1205491317 /nfs/dbraw/zinc/49/13/17/1205491317.db2.gz KWADNZIRKZQWLU-FYAJOAKPSA-N 2 0 396.532 0.902 20 0 GCADRP Cn1ccccc1=[N+]([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1N ZINC001170389495 1205491365 /nfs/dbraw/zinc/49/13/65/1205491365.db2.gz QZBYNZAHYQAYEU-BEIYGRMHSA-N 2 0 381.541 0.785 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc[n+]([O-])c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170395836 1205491549 /nfs/dbraw/zinc/49/15/49/1205491549.db2.gz ODBWKVRUKUVBSX-FUJDEKNSSA-N 2 0 382.505 0.593 20 0 GCADRP COc1ncncc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392767 1205491615 /nfs/dbraw/zinc/49/16/15/1205491615.db2.gz QLBMZRLCGVVDCZ-LGEZUQEUSA-N 2 0 397.520 0.759 20 0 GCADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)CC1 ZINC001157731126 1205491759 /nfs/dbraw/zinc/49/17/59/1205491759.db2.gz SCJFCAVLIFGARQ-HNAYVOBHSA-N 2 0 379.480 0.989 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000793708611 1205502840 /nfs/dbraw/zinc/50/28/40/1205502840.db2.gz IXLDVKWLCOXDRV-ROUUACIJSA-N 2 0 380.533 0.548 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000793708615 1205503091 /nfs/dbraw/zinc/50/30/91/1205503091.db2.gz IZGFNAVTFVVUPT-QZTJIDSGSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793701015 1205504281 /nfs/dbraw/zinc/50/42/81/1205504281.db2.gz NNUWPQKBZKTRCT-MJGOQNOKSA-N 2 0 393.576 0.604 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000793708207 1205504523 /nfs/dbraw/zinc/50/45/23/1205504523.db2.gz LSBSGGOZAVJIED-DLBZAZTESA-N 2 0 380.533 0.594 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793702995 1205504638 /nfs/dbraw/zinc/50/46/38/1205504638.db2.gz VNMDGLWGVQTAKB-IRXDYDNUSA-N 2 0 379.549 0.262 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000793705571 1205504691 /nfs/dbraw/zinc/50/46/91/1205504691.db2.gz FJXHWSKPTBRHRF-QRVBRYPASA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000793702993 1205504700 /nfs/dbraw/zinc/50/47/00/1205504700.db2.gz VNMDGLWGVQTAKB-IAGOWNOFSA-N 2 0 379.549 0.262 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCNC(=O)C(F)(F)F)C1 ZINC001110101660 1205506625 /nfs/dbraw/zinc/50/66/25/1205506625.db2.gz YYBZRGOWEVMAMP-CRWXNKLISA-N 2 0 376.423 0.728 20 0 GCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)([NH+](C)C)C1 ZINC000793815141 1205507258 /nfs/dbraw/zinc/50/72/58/1205507258.db2.gz WFQUWFTYPCCJCG-YZLZLFLDSA-N 2 0 380.533 0.593 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCOCC3CC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129857833 1205521193 /nfs/dbraw/zinc/52/11/93/1205521193.db2.gz GXZACBDTJDDSIM-MANSERQUSA-N 2 0 390.532 0.777 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCOCC3CCC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129856096 1205521207 /nfs/dbraw/zinc/52/12/07/1205521207.db2.gz XAROXNPRCWFIDT-OWYHZJEWSA-N 2 0 390.532 0.777 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NCCN(C)CC[NH3+] ZINC001170499758 1205550180 /nfs/dbraw/zinc/55/01/80/1205550180.db2.gz VEXJQDIEQNPBBM-HNNXBMFYSA-N 2 0 381.521 0.490 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001130596602 1205554912 /nfs/dbraw/zinc/55/49/12/1205554912.db2.gz LYPXQYAHCNNDAM-CWLKWCNXSA-N 2 0 390.532 0.123 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000806697468 1205562783 /nfs/dbraw/zinc/56/27/83/1205562783.db2.gz HSRSBPZMCBKUDJ-INIZCTEOSA-N 2 0 384.521 0.130 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001130994064 1205585096 /nfs/dbraw/zinc/58/50/96/1205585096.db2.gz CYJQRVODOOICCC-BSDSXHPESA-N 2 0 393.532 0.043 20 0 GCADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994134 1205585159 /nfs/dbraw/zinc/58/51/59/1205585159.db2.gz IEOSDMNEELAWEL-QBPKDAKJSA-N 2 0 390.532 0.169 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807682812 1205588268 /nfs/dbraw/zinc/58/82/68/1205588268.db2.gz BNQQYHDTLXSBHT-UHFFFAOYSA-N 3 0 395.592 0.852 20 0 GCADRP [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305357 1205606415 /nfs/dbraw/zinc/60/64/15/1205606415.db2.gz GMEXXTFJIOZLTM-FPMFFAJLSA-N 2 0 385.249 0.981 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOCCO)CC2)CC[N@@H+]1C ZINC001131500441 1205613398 /nfs/dbraw/zinc/61/33/98/1205613398.db2.gz WHTZZZATEQUOIO-OWYHZJEWSA-N 2 0 383.533 0.321 20 0 GCADRP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000809633984 1205628057 /nfs/dbraw/zinc/62/80/57/1205628057.db2.gz YQZGKPKZFHLUGM-UYSNPLJNSA-N 2 0 382.505 0.565 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000809674169 1205628403 /nfs/dbraw/zinc/62/84/03/1205628403.db2.gz AWRZDDPGZIWQBE-QGZVFWFLSA-N 2 0 398.548 0.520 20 0 GCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810066905 1205633492 /nfs/dbraw/zinc/63/34/92/1205633492.db2.gz QNDUWEHWFCNILE-CYBMUJFWSA-N 2 0 378.439 0.977 20 0 GCADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)CN1C(=O)OC(C)(C)C ZINC001170612746 1205641033 /nfs/dbraw/zinc/64/10/33/1205641033.db2.gz GZUWKAVZPZFYAI-RDBSUJKOSA-N 2 0 387.477 0.655 20 0 GCADRP C[NH+]1CC[C@@H]2CN(C(=O)CCCC(=O)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000812323003 1205663702 /nfs/dbraw/zinc/66/37/02/1205663702.db2.gz KFVKLDPUYZOIBY-SEXKYXSUSA-N 2 0 376.545 0.977 20 0 GCADRP C[NH+]1CC[C@@H]2CN(C(=O)CSCC(=O)N3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000812328781 1205663840 /nfs/dbraw/zinc/66/38/40/1205663840.db2.gz FPOVMUSAWMLEGV-FZDBZEDMSA-N 2 0 394.585 0.540 20 0 GCADRP CCN1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC1=O ZINC001172042992 1205712442 /nfs/dbraw/zinc/71/24/42/1205712442.db2.gz ZRGSHQZMGIJPSZ-KRWDZBQOSA-N 2 0 380.533 0.500 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172176926 1205714298 /nfs/dbraw/zinc/71/42/98/1205714298.db2.gz ZHJOMAMJNFVYDE-ZJPYXAASSA-N 2 0 378.517 0.251 20 0 GCADRP CC(C)OCC[C@@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001172435696 1205715886 /nfs/dbraw/zinc/71/58/86/1205715886.db2.gz JTKFYXCDRKDZBK-LJQANCHMSA-N 2 0 394.553 0.821 20 0 GCADRP COC(=O)[C@@H]1CCC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001172799408 1205717599 /nfs/dbraw/zinc/71/75/99/1205717599.db2.gz PEHBYAMVTXWRQY-MSOLQXFVSA-N 2 0 390.521 0.723 20 0 GCADRP CC[NH+](CC)C1CCC([NH2+]CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1 ZINC001173108031 1205718777 /nfs/dbraw/zinc/71/87/77/1205718777.db2.gz WABFQBGAEDNMPN-UHFFFAOYSA-N 2 0 379.505 0.616 20 0 GCADRP CC[N@@H+]1CC[C@@H](N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001173359410 1205719988 /nfs/dbraw/zinc/71/99/88/1205719988.db2.gz MRPXTDJPFQCGEO-GFCCVEGCSA-N 2 0 382.490 0.332 20 0 GCADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)C[C@@H]1C(=O)OC ZINC001173581099 1205724972 /nfs/dbraw/zinc/72/49/72/1205724972.db2.gz GPHKFZZDKCRXAX-CRWXNKLISA-N 2 0 387.477 0.907 20 0 GCADRP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001173648658 1205726108 /nfs/dbraw/zinc/72/61/08/1205726108.db2.gz FEXNCPVLAXNHMO-MSOLQXFVSA-N 2 0 390.521 0.723 20 0 GCADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173750198 1205727258 /nfs/dbraw/zinc/72/72/58/1205727258.db2.gz HSRZERGPGHEHBE-HUUCEWRRSA-N 2 0 378.477 0.753 20 0 GCADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110188598 1205740105 /nfs/dbraw/zinc/74/01/05/1205740105.db2.gz IKBKOWVXFGMRAP-SQNIBIBYSA-N 2 0 377.533 0.999 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C ZINC001177093521 1205762295 /nfs/dbraw/zinc/76/22/95/1205762295.db2.gz FEMJWJKNUKXBJE-CQSZACIVSA-N 2 0 395.508 0.909 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001178506726 1205787961 /nfs/dbraw/zinc/78/79/61/1205787961.db2.gz IJVMNRNOKNFUKV-UHFFFAOYSA-N 2 0 398.508 0.130 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O ZINC001178751371 1205793812 /nfs/dbraw/zinc/79/38/12/1205793812.db2.gz GOIMAVJAGJGDIR-UONOGXRCSA-N 2 0 385.509 0.668 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179150130 1205803956 /nfs/dbraw/zinc/80/39/56/1205803956.db2.gz JWHBCQKEVUEDCN-OAHLLOKOSA-N 2 0 384.521 0.765 20 0 GCADRP C[C@H](O)CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181356008 1205842617 /nfs/dbraw/zinc/84/26/17/1205842617.db2.gz IUVRTGNRQSIAQH-HHHJXDIYSA-N 2 0 375.510 0.053 20 0 GCADRP CO[C@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181459754 1205844242 /nfs/dbraw/zinc/84/42/42/1205844242.db2.gz HPLXJXQZIBMPKF-INSRFAMQSA-N 2 0 375.510 0.317 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C13CC[NH+](CC1)CC3)CC2 ZINC001181548991 1205846054 /nfs/dbraw/zinc/84/60/54/1205846054.db2.gz JBIZLUSFODXKHN-UHFFFAOYSA-N 2 0 391.560 0.169 20 0 GCADRP CO[C@H](C)CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001181601937 1205847297 /nfs/dbraw/zinc/84/72/97/1205847297.db2.gz SARUGUZCFSLKQO-UNEDIJHXSA-N 2 0 389.537 0.707 20 0 GCADRP C[NH+]1CCC(O)(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001182031076 1205853905 /nfs/dbraw/zinc/85/39/05/1205853905.db2.gz LHNIJGKERPZREQ-KBXCAEBGSA-N 2 0 378.448 0.531 20 0 GCADRP Cc1ccc(N(C(=O)C2(O)CC[NH+](C)CC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001182032910 1205854050 /nfs/dbraw/zinc/85/40/50/1205854050.db2.gz VZCJJRUCEGLFPW-LPHOPBHVSA-N 2 0 389.500 0.486 20 0 GCADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1C[NH+]2CCC1CC2 ZINC001182018513 1205854758 /nfs/dbraw/zinc/85/47/58/1205854758.db2.gz YVYBIKKPIQXCAQ-KRWDZBQOSA-N 2 0 378.498 0.274 20 0 GCADRP CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001182298702 1205863472 /nfs/dbraw/zinc/86/34/72/1205863472.db2.gz UDTYIVXBDCUROB-AWEZNQCLSA-N 2 0 378.477 0.793 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001184057126 1205904728 /nfs/dbraw/zinc/90/47/28/1205904728.db2.gz TXHQBKBWFXYFPC-UHFFFAOYSA-N 2 0 381.565 0.415 20 0 GCADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC001185244639 1205918499 /nfs/dbraw/zinc/91/84/99/1205918499.db2.gz LLUOGTVOVGPDNY-SFHVURJKSA-N 2 0 380.533 0.498 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000774853020 1205921014 /nfs/dbraw/zinc/92/10/14/1205921014.db2.gz GILADBXISDJWCS-QLFBSQMISA-N 2 0 380.514 0.446 20 0 GCADRP COC(=O)[C@H]1CCN(CC(=O)N(c2ncnc3c2CC[NH2+]CC3)C(C)C)C1 ZINC001186101537 1205934583 /nfs/dbraw/zinc/93/45/83/1205934583.db2.gz WHPVNAWGCOBJNN-AWEZNQCLSA-N 2 0 375.473 0.401 20 0 GCADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000775132684 1205966069 /nfs/dbraw/zinc/96/60/69/1205966069.db2.gz ANFHCUPECWMWCS-SFHVURJKSA-N 2 0 391.516 0.194 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]32)CC[N@@H+]1C ZINC001187958037 1205972034 /nfs/dbraw/zinc/97/20/34/1205972034.db2.gz GJKWRPSELJFDSS-LXTVHRRPSA-N 2 0 390.450 0.928 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]32)CC[N@@H+]1C ZINC001187958403 1205972202 /nfs/dbraw/zinc/97/22/02/1205972202.db2.gz SYWHMCXUFJYCJU-YYIAUSFCSA-N 2 0 386.562 0.141 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCCC1 ZINC000775220890 1205995526 /nfs/dbraw/zinc/99/55/26/1205995526.db2.gz CTDVBNCIFZHCPU-DLBZAZTESA-N 2 0 380.533 0.737 20 0 GCADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(I)c[nH]c1=O ZINC001190614747 1206039251 /nfs/dbraw/zinc/03/92/51/1206039251.db2.gz YQXGURQSJBCWLR-UHFFFAOYSA-N 2 0 377.186 0.466 20 0 GCADRP Cn1nnc2c1CCN(c1cc3c(nn1)CC[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715762 720189467 /nfs/dbraw/zinc/18/94/67/720189467.db2.gz NDRBKHBERSUJND-SFHVURJKSA-N 2 0 398.515 0.467 20 0 GCADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3c(nn1)CC[NH2+]C3)CCC2 ZINC001164814553 720228435 /nfs/dbraw/zinc/22/84/35/720228435.db2.gz YDDXWCRSVCJKLI-UHFFFAOYSA-N 2 0 383.500 0.930 20 0 GCADRP C[N@H+](Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1)C1CC1 ZINC001164817091 720246750 /nfs/dbraw/zinc/24/67/50/720246750.db2.gz OSZFFSPGFZHFFO-UHFFFAOYSA-N 2 0 382.468 0.937 20 0 GCADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@@H]2C1 ZINC001164857385 720868201 /nfs/dbraw/zinc/86/82/01/720868201.db2.gz QRPMCTAAMLNSNU-MJGOQNOKSA-N 2 0 375.517 0.665 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164852969 720877713 /nfs/dbraw/zinc/87/77/13/720877713.db2.gz ASPCPRNNMMXKFY-SJLPKXTDSA-N 2 0 391.516 0.781 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+][nH]c(Cl)c3ncnc1-3)CC2 ZINC001164752371 720958401 /nfs/dbraw/zinc/95/84/01/720958401.db2.gz XCQXXMAXUIKASG-UHFFFAOYSA-N 2 0 390.835 0.848 20 0 GCADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164866029 721061546 /nfs/dbraw/zinc/06/15/46/721061546.db2.gz BTIRVDXVJCWRKN-OALUTQOASA-N 2 0 395.511 0.761 20 0 GCADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164765236 721090986 /nfs/dbraw/zinc/09/09/86/721090986.db2.gz ISQIVZBTTDRVQI-QZTJIDSGSA-N 2 0 382.516 0.578 20 0 GCADRP CC(=O)N1CC(=O)NC[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164968912 722079556 /nfs/dbraw/zinc/07/95/56/722079556.db2.gz FZJGUISEDOSYTF-FQEVSTJZSA-N 2 0 387.484 0.482 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264723 945491973 /nfs/dbraw/zinc/49/19/73/945491973.db2.gz VCUGJNFLBXBTLP-DLBZAZTESA-N 2 0 385.472 0.135 20 0 GCADRP O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571283714 945888816 /nfs/dbraw/zinc/88/88/16/945888816.db2.gz HTPGYZFGVZNPHC-CYBMUJFWSA-N 2 0 387.513 0.962 20 0 GCADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)[NH+]1CCCC1 ZINC001573773480 948986026 /nfs/dbraw/zinc/98/60/26/948986026.db2.gz CHBNCGFKPMBUDW-INIZCTEOSA-N 2 0 387.488 0.308 20 0 GCADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574931762 949126876 /nfs/dbraw/zinc/12/68/76/949126876.db2.gz RZZYXJVPOJTIBE-CQSZACIVSA-N 2 0 387.488 0.572 20 0 GCADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575265561 949451462 /nfs/dbraw/zinc/45/14/62/949451462.db2.gz USWCLEBOXGDOGU-NEPJUHHUSA-N 2 0 375.502 0.816 20 0 GCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576184580 950133138 /nfs/dbraw/zinc/13/31/38/950133138.db2.gz VYEWVQCPYXTNNK-LSDHHAIUSA-N 2 0 386.504 0.920 20 0 GCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576184577 950133763 /nfs/dbraw/zinc/13/37/63/950133763.db2.gz VYEWVQCPYXTNNK-HUUCEWRRSA-N 2 0 386.504 0.920 20 0 GCADRP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574158782 950285300 /nfs/dbraw/zinc/28/53/00/950285300.db2.gz SLLCEPJQCJNGIT-HNNXBMFYSA-N 2 0 386.504 0.968 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196464 950366830 /nfs/dbraw/zinc/36/68/30/950366830.db2.gz FALNMWBMMSDRNL-OAHLLOKOSA-N 2 0 387.488 0.119 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)C1 ZINC001576202883 950437415 /nfs/dbraw/zinc/43/74/15/950437415.db2.gz DPEKOCSPTPHYKX-RBSFLKMASA-N 2 0 384.488 0.532 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205170 950496272 /nfs/dbraw/zinc/49/62/72/950496272.db2.gz VWFHYVIAKZEALZ-BFUOFWGJSA-N 2 0 384.488 0.722 20 0 GCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576205839 950542623 /nfs/dbraw/zinc/54/26/23/950542623.db2.gz QFYVLGCISDKYPU-CHWSQXEVSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575918456 950595380 /nfs/dbraw/zinc/59/53/80/950595380.db2.gz BZIVXHKLRRUSKF-ZBFHGGJFSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575918454 950597831 /nfs/dbraw/zinc/59/78/31/950597831.db2.gz BZIVXHKLRRUSKF-GOEBONIOSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576207678 950601019 /nfs/dbraw/zinc/60/10/19/950601019.db2.gz IHJXEYBUNCXJTN-CYBMUJFWSA-N 2 0 375.452 0.896 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001576213477 950629016 /nfs/dbraw/zinc/62/90/16/950629016.db2.gz ASCNIFBKNGDXQO-WKCGWZECSA-N 2 0 381.484 0.755 20 0 GCADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576226781 950891538 /nfs/dbraw/zinc/89/15/38/950891538.db2.gz ARFFPEYXGJGBLN-DZGCQCFKSA-N 2 0 384.488 0.817 20 0 GCADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576227599 950916705 /nfs/dbraw/zinc/91/67/05/950916705.db2.gz GNKFEQVWRSLBGA-DZGCQCFKSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574774557 951008988 /nfs/dbraw/zinc/00/89/88/951008988.db2.gz CZIDFOMTJJLJDS-TZMCWYRMSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574774535 951009242 /nfs/dbraw/zinc/00/92/42/951009242.db2.gz CZIDFOMTJJLJDS-GXTWGEPZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575025921 951136018 /nfs/dbraw/zinc/13/60/18/951136018.db2.gz CSCCMCTZHFMUEX-ZDUSSCGKSA-N 2 0 380.456 0.976 20 0 GCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078059 951678245 /nfs/dbraw/zinc/67/82/45/951678245.db2.gz JPZHXKAFQXHBJP-ZDUSSCGKSA-N 2 0 375.452 0.944 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089407 951749322 /nfs/dbraw/zinc/74/93/22/951749322.db2.gz FLEHZNMODZRXIM-MLGOLLRUSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089405 951749855 /nfs/dbraw/zinc/74/98/55/951749855.db2.gz FLEHZNMODZRXIM-BLLLJJGKSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101260 951855425 /nfs/dbraw/zinc/85/54/25/951855425.db2.gz BHSYNBJYKQXMAJ-MLGOLLRUSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103293 951873507 /nfs/dbraw/zinc/87/35/07/951873507.db2.gz SGIAPIXGDKPQCI-CYBMUJFWSA-N 2 0 375.452 0.944 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119948 952496645 /nfs/dbraw/zinc/49/66/45/952496645.db2.gz HLLUOURVOXAODH-CHWSQXEVSA-N 2 0 375.502 0.818 20 0 GCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119950 952497492 /nfs/dbraw/zinc/49/74/92/952497492.db2.gz HLLUOURVOXAODH-QWHCGFSZSA-N 2 0 375.502 0.818 20 0 GCADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571213646 953096801 /nfs/dbraw/zinc/09/68/01/953096801.db2.gz SPQKSJRERMCTRL-UHFFFAOYSA-N 2 0 382.472 0.785 20 0 GCADRP O=C(N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001571216866 953104177 /nfs/dbraw/zinc/10/41/77/953104177.db2.gz BBNBFZXDOIRKMR-AWEZNQCLSA-N 2 0 382.472 0.715 20 0 GCADRP C[C@@H](C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001571250656 953312112 /nfs/dbraw/zinc/31/21/12/953312112.db2.gz RSAIPGNTDDCCIN-LSDHHAIUSA-N 2 0 384.488 0.961 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571251539 953318666 /nfs/dbraw/zinc/31/86/66/953318666.db2.gz ZLUBNABETQSSRP-CQSZACIVSA-N 2 0 384.488 0.676 20 0 GCADRP Cc1cc(N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252021 953323492 /nfs/dbraw/zinc/32/34/92/953323492.db2.gz FNYZJGUUYJLGAJ-CQSZACIVSA-N 2 0 384.488 0.879 20 0 GCADRP Cc1cc(N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252310 953325961 /nfs/dbraw/zinc/32/59/61/953325961.db2.gz KPPKFFCTJXEWBM-HNNXBMFYSA-N 2 0 384.488 0.997 20 0 GCADRP Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252858 953332600 /nfs/dbraw/zinc/33/26/00/953332600.db2.gz XIAPWDRWKWPKJH-JJRVBVJISA-N 2 0 384.488 0.783 20 0 GCADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000648149267 530171221 /nfs/dbraw/zinc/17/12/21/530171221.db2.gz FRULSIUTORGJMK-KBPBESRZSA-N 2 0 381.489 0.589 20 0 GCADRP CS[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000601397863 530385626 /nfs/dbraw/zinc/38/56/26/530385626.db2.gz VNRSIMBLSPRCRM-SJORKVTESA-N 2 0 390.619 0.465 20 0 GCADRP CC(=O)Nc1ncc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)s1 ZINC000330696266 530523811 /nfs/dbraw/zinc/52/38/11/530523811.db2.gz ZVKVYSDFGAXJPL-UHFFFAOYSA-N 2 0 389.547 0.748 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000444185091 530543110 /nfs/dbraw/zinc/54/31/10/530543110.db2.gz AJGQMUIIEMLRQM-UHFFFAOYSA-N 2 0 379.477 0.795 20 0 GCADRP CC[NH+](CC)CCN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000573121951 530575745 /nfs/dbraw/zinc/57/57/45/530575745.db2.gz SJEBWGNRNHVJGW-GJZGRUSLSA-N 2 0 377.576 0.439 20 0 GCADRP CC[NH+](CC)CCN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000573121952 530575853 /nfs/dbraw/zinc/57/58/53/530575853.db2.gz SJEBWGNRNHVJGW-HUUCEWRRSA-N 2 0 377.576 0.439 20 0 GCADRP C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532748627 530671955 /nfs/dbraw/zinc/67/19/55/530671955.db2.gz AOCAXQUEYMOHLH-CYBMUJFWSA-N 2 0 376.548 0.367 20 0 GCADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000477588586 530745167 /nfs/dbraw/zinc/74/51/67/530745167.db2.gz IAYUTLYPKHGMPN-INIZCTEOSA-N 2 0 389.591 0.777 20 0 GCADRP O=C(CCCC(=O)NCC[NH+]1CCSCC1)NCC[NH+]1CCSCC1 ZINC000488992603 530820385 /nfs/dbraw/zinc/82/03/85/530820385.db2.gz HYBZEGAJVPTBLQ-UHFFFAOYSA-N 2 0 388.603 0.487 20 0 GCADRP COCC[N@H+](C)CCCC1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000502756406 530876168 /nfs/dbraw/zinc/87/61/68/530876168.db2.gz RFBTUNDJMSQZAZ-UHFFFAOYSA-N 2 0 376.563 0.997 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419952115 530964165 /nfs/dbraw/zinc/96/41/65/530964165.db2.gz NXDJYUFAQKFCHK-UHFFFAOYSA-N 2 0 397.317 0.675 20 0 GCADRP C[C@@H]1C[N@H+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000632278345 530964483 /nfs/dbraw/zinc/96/44/83/530964483.db2.gz OXLDILAYRFVZRA-QGZVFWFLSA-N 2 0 376.567 0.044 20 0 GCADRP C[C@H]1C[N@H+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000632278344 530964665 /nfs/dbraw/zinc/96/46/65/530964665.db2.gz OXLDILAYRFVZRA-KRWDZBQOSA-N 2 0 376.567 0.044 20 0 GCADRP CNC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1OC ZINC000420445553 530967550 /nfs/dbraw/zinc/96/75/50/530967550.db2.gz ANRDFWYCQJPJNW-UHFFFAOYSA-N 2 0 392.909 0.397 20 0 GCADRP Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420451553 530968142 /nfs/dbraw/zinc/96/81/42/530968142.db2.gz IFDHUASQYQQAFX-UHFFFAOYSA-N 2 0 377.532 0.395 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000533327738 531039790 /nfs/dbraw/zinc/03/97/90/531039790.db2.gz HXASDMYEMYREHH-UHFFFAOYSA-N 2 0 391.563 0.161 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CC1CCS(=O)(=O)CC1 ZINC000553514085 531153351 /nfs/dbraw/zinc/15/33/51/531153351.db2.gz QGCAPZZOOHTOJS-UHFFFAOYSA-N 2 0 397.607 0.346 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736768946 598683804 /nfs/dbraw/zinc/68/38/04/598683804.db2.gz KFNZJDTUZXUSMO-UHFFFAOYSA-N 2 0 375.452 0.896 20 0 GCADRP COc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000826197775 607627609 /nfs/dbraw/zinc/62/76/09/607627609.db2.gz CKUNYPMMCYAEPZ-UHFFFAOYSA-N 2 0 390.492 0.510 20 0 GCADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccn1 ZINC000825870613 608101759 /nfs/dbraw/zinc/10/17/59/608101759.db2.gz UWSDSATYHZBRCU-CQSZACIVSA-N 2 0 398.475 0.230 20 0 GCADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000747262900 640307389 /nfs/dbraw/zinc/30/73/89/640307389.db2.gz KWPWRNVVJQDFTQ-UHFFFAOYSA-N 2 0 375.466 0.726 20 0 GCADRP COC(=O)C1(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000867590309 641359986 /nfs/dbraw/zinc/35/99/86/641359986.db2.gz NYWICMQIRMKOEF-HUUCEWRRSA-N 2 0 375.535 0.331 20 0 GCADRP C[NH+](C)CCNC(=O)c1cc(Br)c(C(=O)NCC[NH+](C)C)o1 ZINC000792012027 641442964 /nfs/dbraw/zinc/44/29/64/641442964.db2.gz LKUKNQVCGBMLSE-UHFFFAOYSA-N 2 0 375.267 0.625 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(Br)n1 ZINC000872446749 641469554 /nfs/dbraw/zinc/46/95/54/641469554.db2.gz PKFJYTLZEYBLLY-UHFFFAOYSA-N 2 0 379.324 0.958 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000881117546 641639404 /nfs/dbraw/zinc/63/94/04/641639404.db2.gz PDHQCCAVXAZVOK-UHFFFAOYSA-N 2 0 389.547 0.571 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849361 641659179 /nfs/dbraw/zinc/65/91/79/641659179.db2.gz PCCHOKCATMQHMI-QKFKETGDSA-N 2 0 383.584 0.154 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849360 641659389 /nfs/dbraw/zinc/65/93/89/641659389.db2.gz PCCHOKCATMQHMI-PSLXWICFSA-N 2 0 383.584 0.154 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000809528628 641709590 /nfs/dbraw/zinc/70/95/90/641709590.db2.gz BWBVIPAAUAYULQ-ILXRZTDVSA-N 2 0 388.603 0.434 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1Br ZINC000130604827 641747488 /nfs/dbraw/zinc/74/74/88/641747488.db2.gz RKVHKGKBDNRFQX-UHFFFAOYSA-N 2 0 386.294 0.734 20 0 GCADRP COC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(Br)o1 ZINC000842482440 642337514 /nfs/dbraw/zinc/33/75/14/642337514.db2.gz WDCKRFGIXUVPMV-UHFFFAOYSA-N 2 0 398.279 0.517 20 0 GCADRP CC[NH+](CC)CCN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000843488513 642373636 /nfs/dbraw/zinc/37/36/36/642373636.db2.gz ZWPPYHZRQHQECD-JKSUJKDBSA-N 2 0 375.535 0.113 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CCO1 ZINC000662950355 1192165873 /nfs/dbraw/zinc/16/58/73/1192165873.db2.gz GTTHAPLHESVOSO-QXAKKESOSA-N 2 0 388.512 0.336 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662972401 1192173695 /nfs/dbraw/zinc/17/36/95/1192173695.db2.gz VZTDVPUDFQBOOT-DENIHFKCSA-N 2 0 384.524 0.974 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652279209 1192176208 /nfs/dbraw/zinc/17/62/08/1192176208.db2.gz PWYPDJRQRLACPR-UHFFFAOYSA-N 2 0 379.480 0.980 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000662983801 1192176649 /nfs/dbraw/zinc/17/66/49/1192176649.db2.gz MHHHMDKPFVKBLA-BDXSIMOUSA-N 2 0 379.549 0.057 20 0 GCADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000500437431 1192177370 /nfs/dbraw/zinc/17/73/70/1192177370.db2.gz VPOOJTSRFQEEDE-DLBZAZTESA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000662985228 1192177595 /nfs/dbraw/zinc/17/75/95/1192177595.db2.gz ZKWBTYGYWRQLEI-SJORKVTESA-N 2 0 380.533 0.676 20 0 GCADRP COC1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]CC1 ZINC000663015753 1192184986 /nfs/dbraw/zinc/18/49/86/1192184986.db2.gz YCLFAMXPYJWPKS-HNNXBMFYSA-N 2 0 376.505 0.294 20 0 GCADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000663018083 1192185958 /nfs/dbraw/zinc/18/59/58/1192185958.db2.gz NPDBVPMGBYAVSY-KRWDZBQOSA-N 2 0 389.548 0.163 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349667 1192200386 /nfs/dbraw/zinc/20/03/86/1192200386.db2.gz YNGCAYIUBNAZLT-KURKYZTESA-N 2 0 388.516 0.344 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000652402869 1192213136 /nfs/dbraw/zinc/21/31/36/1192213136.db2.gz FTMRYSSFYZHGDD-UHFFFAOYSA-N 2 0 380.533 0.502 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000652416508 1192219924 /nfs/dbraw/zinc/21/99/24/1192219924.db2.gz LFUHIEWVUHWQBJ-UHFFFAOYSA-N 2 0 393.576 0.417 20 0 GCADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000652432952 1192221581 /nfs/dbraw/zinc/22/15/81/1192221581.db2.gz JESNSTGVXUOCTC-IBGZPJMESA-N 2 0 393.576 0.558 20 0 GCADRP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000511952082 1192223820 /nfs/dbraw/zinc/22/38/20/1192223820.db2.gz XLAQEVNITHMQJQ-VIQWUECVSA-N 2 0 392.544 0.690 20 0 GCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2)C1 ZINC000652626441 1192258155 /nfs/dbraw/zinc/25/81/55/1192258155.db2.gz AAZHMOKCEDNGAD-ZMSDIMECSA-N 2 0 398.467 0.373 20 0 GCADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)cc1 ZINC000636702841 1192272584 /nfs/dbraw/zinc/27/25/84/1192272584.db2.gz ZUBPGDSTGAIDTN-RBUKOAKNSA-N 2 0 387.528 0.048 20 0 GCADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000662263540 1192273035 /nfs/dbraw/zinc/27/30/35/1192273035.db2.gz CCIUKFJRAGEGCG-WMZOPIPTSA-N 2 0 394.541 0.675 20 0 GCADRP O=C(CC[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000662309532 1192282404 /nfs/dbraw/zinc/28/24/04/1192282404.db2.gz AAQTYSVIVJEWHP-KRWDZBQOSA-N 2 0 380.514 0.715 20 0 GCADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662338994 1192284939 /nfs/dbraw/zinc/28/49/39/1192284939.db2.gz YTXKCJWVCYPYLF-KRWDZBQOSA-N 2 0 389.548 0.163 20 0 GCADRP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338928 1192285162 /nfs/dbraw/zinc/28/51/62/1192285162.db2.gz WZKOLEIXQVMNLZ-HNNXBMFYSA-N 2 0 387.536 0.983 20 0 GCADRP Cn1c(=O)cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)n(C)c1=O ZINC000662329215 1192285955 /nfs/dbraw/zinc/28/59/55/1192285955.db2.gz ZTPINMDBZWGNRI-UHFFFAOYSA-N 2 0 386.500 0.654 20 0 GCADRP CC[NH+]1CCN(CCNc2cnc(NCCN3CC[NH+](CC)CC3)cn2)CC1 ZINC000663399158 1192321895 /nfs/dbraw/zinc/32/18/95/1192321895.db2.gz SNJIFBXEUKKTPY-UHFFFAOYSA-N 2 0 390.580 0.575 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)CCO1 ZINC000511981613 1192332136 /nfs/dbraw/zinc/33/21/36/1192332136.db2.gz ITFBMEQQPLNYGF-MUYFXNHWSA-N 2 0 392.544 0.831 20 0 GCADRP COc1cccc([C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[NH+](C)C)c1 ZINC000663446231 1192340565 /nfs/dbraw/zinc/34/05/65/1192340565.db2.gz RSTPOXRQZDVNEW-SFHVURJKSA-N 2 0 393.532 0.959 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCCC1 ZINC000652666345 1192379739 /nfs/dbraw/zinc/37/97/39/1192379739.db2.gz DWMDAAYFNCGHIO-YESZJQIVSA-N 2 0 380.533 0.722 20 0 GCADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000652666250 1192379985 /nfs/dbraw/zinc/37/99/85/1192379985.db2.gz BMBXHZJNEDEBJC-LJQANCHMSA-N 2 0 388.512 0.510 20 0 GCADRP CC(C)[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCN(C)CC1 ZINC000663561621 1192389999 /nfs/dbraw/zinc/38/99/99/1192389999.db2.gz UPNKVKILQBCSCV-RBUKOAKNSA-N 2 0 381.565 0.499 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652672383 1192418303 /nfs/dbraw/zinc/41/83/03/1192418303.db2.gz IGUWRKDKUZWVEQ-FHWLQOOXSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@@]1(NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000663616237 1192418879 /nfs/dbraw/zinc/41/88/79/1192418879.db2.gz SUPKCUZNIUZVGL-HXUWFJFHSA-N 2 0 387.484 0.191 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000663616299 1192419269 /nfs/dbraw/zinc/41/92/69/1192419269.db2.gz UXSJPXSTIXBSDO-FQEVSTJZSA-N 2 0 389.500 0.565 20 0 GCADRP CC1(O)CCN(c2cc(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)ncn2)CC1 ZINC000663739852 1192519299 /nfs/dbraw/zinc/51/92/99/1192519299.db2.gz PHJKPJMLOJEXHB-INIZCTEOSA-N 2 0 388.516 0.746 20 0 GCADRP C[C@H]1OCC[C@]1(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279449429 1192541808 /nfs/dbraw/zinc/54/18/08/1192541808.db2.gz KORIRNVRRSWDMP-APWZRJJASA-N 2 0 377.489 0.433 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000670833382 1192547157 /nfs/dbraw/zinc/54/71/57/1192547157.db2.gz JQMKZGQHZVDARI-ZWKOTPCHSA-N 2 0 381.565 0.365 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187413469 1192588485 /nfs/dbraw/zinc/58/84/85/1192588485.db2.gz VUFGFVYPAFWBBW-SFHVURJKSA-N 2 0 383.581 0.891 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(C)(C)C[NH+](C)C ZINC000652685054 1192595409 /nfs/dbraw/zinc/59/54/09/1192595409.db2.gz BVKKTEWJNOXKAO-LUKYLMHMSA-N 2 0 382.549 0.824 20 0 GCADRP C[NH+](C)CCOc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccn1 ZINC000512284430 1192598701 /nfs/dbraw/zinc/59/87/01/1192598701.db2.gz YNFACGGYWUMINN-INIZCTEOSA-N 2 0 377.489 0.339 20 0 GCADRP COC[C@]1(CNC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC[NH2+]1 ZINC000418635041 1192621335 /nfs/dbraw/zinc/62/13/35/1192621335.db2.gz JZTYTHOOCFLQSZ-QWFCFKBJSA-N 2 0 381.565 0.955 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418608793 1192616679 /nfs/dbraw/zinc/61/66/79/1192616679.db2.gz DXOCFUXWVTVAHX-CQSZACIVSA-N 2 0 395.470 0.357 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000512343254 1192616740 /nfs/dbraw/zinc/61/67/40/1192616740.db2.gz ONXISJRIOPSBMH-AWEZNQCLSA-N 2 0 385.534 0.161 20 0 GCADRP COCC1(CNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000418618926 1192619346 /nfs/dbraw/zinc/61/93/46/1192619346.db2.gz BAWMAFRSFYGKET-MOPGFXCFSA-N 2 0 390.528 0.937 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)c1 ZINC000500472837 1192623801 /nfs/dbraw/zinc/62/38/01/1192623801.db2.gz OTNPVWBBXCKMIB-UHFFFAOYSA-N 2 0 375.473 0.339 20 0 GCADRP C[N@H+](CCNC(=O)C1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)Cc1ccccc1 ZINC000418673417 1192628596 /nfs/dbraw/zinc/62/85/96/1192628596.db2.gz OULVPKRJPOEQSS-PMOLBWCYSA-N 2 0 399.539 0.874 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418752486 1192639850 /nfs/dbraw/zinc/63/98/50/1192639850.db2.gz BVVBSQOKNXBVLH-QRVBRYPASA-N 2 0 375.517 0.072 20 0 GCADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418765026 1192640323 /nfs/dbraw/zinc/64/03/23/1192640323.db2.gz AVZVHGWETIHKAA-IBGZPJMESA-N 2 0 387.528 0.655 20 0 GCADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418775368 1192642987 /nfs/dbraw/zinc/64/29/87/1192642987.db2.gz DSPXOZYZOGXWKB-KDURUIRLSA-N 2 0 399.539 0.383 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000418786435 1192643569 /nfs/dbraw/zinc/64/35/69/1192643569.db2.gz RVLHMYZURDDILY-IBGZPJMESA-N 2 0 387.528 0.559 20 0 GCADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418782782 1192644649 /nfs/dbraw/zinc/64/46/49/1192644649.db2.gz NPRHUEHNHLNPKO-KRWDZBQOSA-N 2 0 375.517 0.559 20 0 GCADRP C[C@@]1(CNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC[NH2+]C1 ZINC000418793470 1192645818 /nfs/dbraw/zinc/64/58/18/1192645818.db2.gz AGHUZXDCBNOERC-HXUWFJFHSA-N 2 0 394.560 0.891 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCC1 ZINC000418802968 1192648871 /nfs/dbraw/zinc/64/88/71/1192648871.db2.gz KVUPZMYBYGCAAA-MRXNPFEDSA-N 2 0 395.548 0.071 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCC1 ZINC000418802962 1192648875 /nfs/dbraw/zinc/64/88/75/1192648875.db2.gz KVUPZMYBYGCAAA-INIZCTEOSA-N 2 0 395.548 0.071 20 0 GCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418807131 1192649699 /nfs/dbraw/zinc/64/96/99/1192649699.db2.gz PJTRAZXJPLWZLK-DLBZAZTESA-N 2 0 380.533 0.629 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418805987 1192649819 /nfs/dbraw/zinc/64/98/19/1192649819.db2.gz OCDPULADLPWLNZ-DLBZAZTESA-N 2 0 380.533 0.581 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418805455 1192650179 /nfs/dbraw/zinc/65/01/79/1192650179.db2.gz NKZXNXTVWZBHCO-ZWKOTPCHSA-N 2 0 392.544 0.453 20 0 GCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418812770 1192652866 /nfs/dbraw/zinc/65/28/66/1192652866.db2.gz XNSUSTYYKCIXFB-QGZVFWFLSA-N 2 0 380.533 0.501 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)[NH+](C)C)c1 ZINC000418837600 1192662627 /nfs/dbraw/zinc/66/26/27/1192662627.db2.gz AWWMQPQQZRSCOH-KRWDZBQOSA-N 2 0 376.501 0.920 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCCCC1 ZINC000418830031 1192658626 /nfs/dbraw/zinc/65/86/26/1192658626.db2.gz HOLOHCIDCHHZFT-MRXNPFEDSA-N 2 0 391.520 0.281 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000418830727 1192659355 /nfs/dbraw/zinc/65/93/55/1192659355.db2.gz JVVFIPIIVPTFIS-JKSUJKDBSA-N 2 0 392.500 0.633 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[NH+](C)C)cc1OC ZINC000418833029 1192659910 /nfs/dbraw/zinc/65/99/10/1192659910.db2.gz MUQDUUFAYMNJSP-DZKIICNBSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)[NH+](C)C)cc1OC ZINC000418833034 1192660048 /nfs/dbraw/zinc/66/00/48/1192660048.db2.gz MUQDUUFAYMNJSP-YCPHGPKFSA-N 2 0 392.500 0.618 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000418834381 1192660791 /nfs/dbraw/zinc/66/07/91/1192660791.db2.gz ODUUUQFDTHGIJH-HUUCEWRRSA-N 2 0 378.473 0.372 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1OC ZINC000418838411 1192661322 /nfs/dbraw/zinc/66/13/22/1192661322.db2.gz VHITWSVWLNBQMW-GJZGRUSLSA-N 2 0 378.473 0.291 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[NH+](C)C)cc1OC ZINC000418837635 1192662010 /nfs/dbraw/zinc/66/20/10/1192662010.db2.gz TVOINOBGBUWNKO-CABCVRRESA-N 2 0 378.473 0.276 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C)cc1OC ZINC000418839022 1192662397 /nfs/dbraw/zinc/66/23/97/1192662397.db2.gz WKSXDYAZASWVHP-OAHLLOKOSA-N 2 0 394.516 0.866 20 0 GCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418837546 1192662590 /nfs/dbraw/zinc/66/25/90/1192662590.db2.gz AOXAJCOSZVCQBW-IBGZPJMESA-N 2 0 387.528 0.260 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000418840564 1192663163 /nfs/dbraw/zinc/66/31/63/1192663163.db2.gz FMDKCWPEQNJREK-MJGOQNOKSA-N 2 0 387.528 0.116 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000418848161 1192664927 /nfs/dbraw/zinc/66/49/27/1192664927.db2.gz KSEFGOYJSSDSOA-UAGQMJEPSA-N 2 0 376.501 0.505 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000418864552 1192669351 /nfs/dbraw/zinc/66/93/51/1192669351.db2.gz QXXVTVUCJUEYDH-MJGOQNOKSA-N 2 0 387.528 0.177 20 0 GCADRP CN(C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000418858037 1192669399 /nfs/dbraw/zinc/66/93/99/1192669399.db2.gz IJCRIZTZCRRPPY-UHFFFAOYSA-N 2 0 387.528 0.131 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCCC1 ZINC000418854473 1192669732 /nfs/dbraw/zinc/66/97/32/1192669732.db2.gz TXPMGBKCOMZQGJ-NJAFHUGGSA-N 2 0 386.496 0.769 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000418862300 1192671019 /nfs/dbraw/zinc/67/10/19/1192671019.db2.gz AMOXVJXUVSYBRM-JKQORVJESA-N 2 0 380.533 0.985 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418864185 1192671566 /nfs/dbraw/zinc/67/15/66/1192671566.db2.gz QDJGNJKXRBOJGC-SFHVURJKSA-N 2 0 375.517 0.020 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418868747 1192672993 /nfs/dbraw/zinc/67/29/93/1192672993.db2.gz WKUKNHNEBQTFCW-QGZVFWFLSA-N 2 0 375.517 0.035 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418871073 1192673299 /nfs/dbraw/zinc/67/32/99/1192673299.db2.gz ZJCVASPUQZRBOL-GOSISDBHSA-N 2 0 375.517 0.207 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CC[NH2+]C1 ZINC000418883889 1192678974 /nfs/dbraw/zinc/67/89/74/1192678974.db2.gz VUMYTBASSUYGOG-RBUKOAKNSA-N 2 0 388.512 0.470 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000418883887 1192679289 /nfs/dbraw/zinc/67/92/89/1192679289.db2.gz VUMYTBASSUYGOG-MOPGFXCFSA-N 2 0 388.512 0.470 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418878950 1192674669 /nfs/dbraw/zinc/67/46/69/1192674669.db2.gz MOYXNOLSOBDHLL-IPELMVKDSA-N 2 0 388.512 0.598 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418875655 1192675513 /nfs/dbraw/zinc/67/55/13/1192675513.db2.gz DRXGNLNWNHZEHW-KFKAGJAMSA-N 2 0 388.512 0.503 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000418913421 1192690377 /nfs/dbraw/zinc/69/03/77/1192690377.db2.gz DYBDQGBYNPXXCG-IBGZPJMESA-N 2 0 390.528 0.837 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)C[C@H]1C[NH3+] ZINC000418919897 1192691155 /nfs/dbraw/zinc/69/11/55/1192691155.db2.gz XVLLVRRUBSWHNB-QFBILLFUSA-N 2 0 388.512 0.578 20 0 GCADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)([NH+](C)C)C1 ZINC000418927551 1192693671 /nfs/dbraw/zinc/69/36/71/1192693671.db2.gz VRAMANLFQUEXRB-JXFKEZNVSA-N 2 0 382.549 0.970 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])c1ccco1 ZINC000418945575 1192698364 /nfs/dbraw/zinc/69/83/64/1192698364.db2.gz PZKZJYMNBZDRBK-ARFHVFGLSA-N 2 0 380.489 0.743 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000418948849 1192698984 /nfs/dbraw/zinc/69/89/84/1192698984.db2.gz OVUKFKYSXABQLV-VYDXJSESSA-N 2 0 376.501 0.852 20 0 GCADRP CC1(C)CN(c2cnc(N3CC[N@H+](CCO)C(C)(C)C3)cn2)CC[NH+]1CCO ZINC000663833228 1192699886 /nfs/dbraw/zinc/69/98/86/1192699886.db2.gz PDFNOLKHHPWONS-UHFFFAOYSA-N 2 0 392.548 0.262 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000418957546 1192699913 /nfs/dbraw/zinc/69/99/13/1192699913.db2.gz VADMLTURRDHXQJ-GDBMZVCRSA-N 2 0 377.489 0.082 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418958490 1192700414 /nfs/dbraw/zinc/70/04/14/1192700414.db2.gz GHETXIDAALKVFM-OAQYLSRUSA-N 2 0 388.512 0.975 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957004 1192701783 /nfs/dbraw/zinc/70/17/83/1192701783.db2.gz DAETTYUIUVAJTK-HZPDHXFCSA-N 2 0 390.484 0.215 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000418955864 1192701882 /nfs/dbraw/zinc/70/18/82/1192701882.db2.gz RFEACGHNYAEXOK-SVGFKBNWSA-N 2 0 396.532 0.100 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418960962 1192702698 /nfs/dbraw/zinc/70/26/98/1192702698.db2.gz JJFDJIMADNZEOC-RYQLBKOJSA-N 2 0 376.501 0.588 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418967577 1192705563 /nfs/dbraw/zinc/70/55/63/1192705563.db2.gz SCHFISBNFDXXCH-WMZOPIPTSA-N 2 0 388.512 0.973 20 0 GCADRP CN(C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000418966727 1192705276 /nfs/dbraw/zinc/70/52/76/1192705276.db2.gz QMSYLOFWGLMVSG-UHFFFAOYSA-N 2 0 388.512 0.988 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000512451581 1192708740 /nfs/dbraw/zinc/70/87/40/1192708740.db2.gz JDFNWZRKQCDYQQ-MRXNPFEDSA-N 2 0 391.582 0.183 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418967575 1192705646 /nfs/dbraw/zinc/70/56/46/1192705646.db2.gz SCHFISBNFDXXCH-SJLPKXTDSA-N 2 0 388.512 0.973 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000418996788 1192712114 /nfs/dbraw/zinc/71/21/14/1192712114.db2.gz KOAUFIUMCOQRRR-DOTOQJQBSA-N 2 0 376.501 0.854 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000418995839 1192713464 /nfs/dbraw/zinc/71/34/64/1192713464.db2.gz JFIHJFPRYIFBHU-MOPGFXCFSA-N 2 0 394.560 0.970 20 0 GCADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000419008232 1192715099 /nfs/dbraw/zinc/71/50/99/1192715099.db2.gz VHWXVTMRMKABSJ-ZWKOTPCHSA-N 2 0 380.533 0.724 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419010968 1192717367 /nfs/dbraw/zinc/71/73/67/1192717367.db2.gz ZJAAZQDYWWVIEV-ZWKOTPCHSA-N 2 0 376.501 0.589 20 0 GCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419014240 1192720310 /nfs/dbraw/zinc/72/03/10/1192720310.db2.gz IEXSYXXCFNORLR-SFHVURJKSA-N 2 0 376.501 0.639 20 0 GCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419026152 1192727210 /nfs/dbraw/zinc/72/72/10/1192727210.db2.gz ZYWLRKMRCPCCLB-SFHVURJKSA-N 2 0 376.501 0.721 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419026518 1192727711 /nfs/dbraw/zinc/72/77/11/1192727711.db2.gz BNSIOVXEJOPOJP-INIZCTEOSA-N 2 0 398.573 0.349 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000419037588 1192736103 /nfs/dbraw/zinc/73/61/03/1192736103.db2.gz ISEOBXFLURUZNI-KURKYZTESA-N 2 0 382.549 0.840 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[NH+]4C[C@H]3C)CC2)CCO1 ZINC000410592312 1192736586 /nfs/dbraw/zinc/73/65/86/1192736586.db2.gz YJBGNCPPCICQFB-JFIYKMOQSA-N 2 0 378.517 0.393 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000419040500 1192737343 /nfs/dbraw/zinc/73/73/43/1192737343.db2.gz MPSRPPOMQHIBBO-BDXSIMOUSA-N 2 0 380.533 0.593 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000419041108 1192739494 /nfs/dbraw/zinc/73/94/94/1192739494.db2.gz XVCAPFCEPAPLDP-HNNXBMFYSA-N 2 0 384.546 0.040 20 0 GCADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419045190 1192741927 /nfs/dbraw/zinc/74/19/27/1192741927.db2.gz RRSXHHAHCALSFP-SFHVURJKSA-N 2 0 388.512 0.652 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000419047661 1192744387 /nfs/dbraw/zinc/74/43/87/1192744387.db2.gz YKVCQQFDYYJUII-RYQLBKOJSA-N 2 0 380.533 0.578 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419057642 1192751263 /nfs/dbraw/zinc/75/12/63/1192751263.db2.gz OOAITJFLLHMPFI-NXWXRZEISA-N 2 0 388.512 0.445 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419056227 1192753181 /nfs/dbraw/zinc/75/31/81/1192753181.db2.gz LAACTECIGGRZNY-KBAYOESNSA-N 2 0 376.501 0.351 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419059923 1192756268 /nfs/dbraw/zinc/75/62/68/1192756268.db2.gz SDIIEQAAYHSVGK-QXAKKESOSA-N 2 0 388.512 0.460 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000419064382 1192759021 /nfs/dbraw/zinc/75/90/21/1192759021.db2.gz CFIXWVZOFNJJND-LJQANCHMSA-N 2 0 388.512 0.591 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419065076 1192761253 /nfs/dbraw/zinc/76/12/53/1192761253.db2.gz YWKJKVFKZKWEFS-CEXWTWQISA-N 2 0 388.512 0.493 20 0 GCADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237833452 1192765599 /nfs/dbraw/zinc/76/55/99/1192765599.db2.gz CRPRCELVECHOOL-CTNGQTDRSA-N 2 0 397.523 0.982 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419084446 1192779425 /nfs/dbraw/zinc/77/94/25/1192779425.db2.gz YNZMYEABDALBLB-IRXDYDNUSA-N 2 0 395.548 0.213 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098725 1192785754 /nfs/dbraw/zinc/78/57/54/1192785754.db2.gz HGSKJJLCZGVBRI-RHSMWYFYSA-N 2 0 380.439 0.737 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419110957 1192798600 /nfs/dbraw/zinc/79/86/00/1192798600.db2.gz SSOJEPRPPRBPKM-MSOLQXFVSA-N 2 0 388.512 0.589 20 0 GCADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419110959 1192798652 /nfs/dbraw/zinc/79/86/52/1192798652.db2.gz SSOJEPRPPRBPKM-QZTJIDSGSA-N 2 0 388.512 0.589 20 0 GCADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000419111724 1192799461 /nfs/dbraw/zinc/79/94/61/1192799461.db2.gz UJKQKVUYVRPBFZ-UHFFFAOYSA-N 2 0 388.512 0.642 20 0 GCADRP CCCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CC[NH2+]C1 ZINC000419116178 1192801029 /nfs/dbraw/zinc/80/10/29/1192801029.db2.gz OQSHLXPWBVGRQN-KRWDZBQOSA-N 2 0 388.516 0.050 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419131506 1192805852 /nfs/dbraw/zinc/80/58/52/1192805852.db2.gz AGXFFFHPFNOSOI-SJLPKXTDSA-N 2 0 376.501 0.508 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000419130951 1192805916 /nfs/dbraw/zinc/80/59/16/1192805916.db2.gz BPEOSGGIBYOGCH-FHLIZLRMSA-N 2 0 376.501 0.713 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419137201 1192809346 /nfs/dbraw/zinc/80/93/46/1192809346.db2.gz QHDFNWADXBDSLL-CEXWTWQISA-N 2 0 388.512 0.732 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000419154272 1192811592 /nfs/dbraw/zinc/81/15/92/1192811592.db2.gz RBGONPCHVJEBIB-CABCVRRESA-N 2 0 380.514 0.262 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000419153763 1192811716 /nfs/dbraw/zinc/81/17/16/1192811716.db2.gz QHNKCMPFZKWHDP-UHFFFAOYSA-N 2 0 376.501 0.701 20 0 GCADRP CC[C@H](COC)NC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419154571 1192812024 /nfs/dbraw/zinc/81/20/24/1192812024.db2.gz YMNJJJCBNAIPKI-QGZVFWFLSA-N 2 0 376.501 0.637 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)[C@H]1C[NH3+] ZINC000419156836 1192817047 /nfs/dbraw/zinc/81/70/47/1192817047.db2.gz VTLBLZNDMWYEDX-WBVHZDCISA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419146807 1192815006 /nfs/dbraw/zinc/81/50/06/1192815006.db2.gz IOELTNVCYJSEBS-HXUWFJFHSA-N 2 0 376.501 0.749 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000419146000 1192815103 /nfs/dbraw/zinc/81/51/03/1192815103.db2.gz HCWZKWZDFRVBDL-IBGZPJMESA-N 2 0 387.528 0.270 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000419156664 1192816138 /nfs/dbraw/zinc/81/61/38/1192816138.db2.gz JTGABDFLVYJQEX-RDJZCZTQSA-N 2 0 388.516 0.035 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419159514 1192817825 /nfs/dbraw/zinc/81/78/25/1192817825.db2.gz ZKISHVOVYJYFAH-CGTJXYLNSA-N 2 0 388.512 0.748 20 0 GCADRP CCCN(C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419162575 1192819668 /nfs/dbraw/zinc/81/96/68/1192819668.db2.gz UWNFLQHLJSYKFK-QGZVFWFLSA-N 2 0 388.516 0.050 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419161670 1192820465 /nfs/dbraw/zinc/82/04/65/1192820465.db2.gz FAUFSADPXUNKHF-RTBURBONSA-N 2 0 388.512 0.604 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000419162132 1192820992 /nfs/dbraw/zinc/82/09/92/1192820992.db2.gz TUVYBBNSFLHWGG-KRWDZBQOSA-N 2 0 388.516 0.050 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419164364 1192821858 /nfs/dbraw/zinc/82/18/58/1192821858.db2.gz LSYDIEKNNPVGNO-QXAKKESOSA-N 2 0 388.512 0.589 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)[NH2+]1 ZINC000419166086 1192822276 /nfs/dbraw/zinc/82/22/76/1192822276.db2.gz OFOPWQVMZFHZKP-LMMKCTJWSA-N 2 0 388.512 0.603 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419165303 1192822662 /nfs/dbraw/zinc/82/26/62/1192822662.db2.gz NILSWADMZLPTFD-PKOBYXMFSA-N 2 0 388.512 0.510 20 0 GCADRP COC[C@@H](C)CNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419155456 1192823754 /nfs/dbraw/zinc/82/37/54/1192823754.db2.gz TXCPTNGNJOLYEK-INIZCTEOSA-N 2 0 376.501 0.495 20 0 GCADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419156030 1192825040 /nfs/dbraw/zinc/82/50/40/1192825040.db2.gz BRGPQQCOOFVHKN-RBUKOAKNSA-N 2 0 390.528 0.835 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000419173447 1192826255 /nfs/dbraw/zinc/82/62/55/1192826255.db2.gz VEZCSKCITQFETJ-UHFFFAOYSA-N 2 0 397.564 0.363 20 0 GCADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419174234 1192827286 /nfs/dbraw/zinc/82/72/86/1192827286.db2.gz VBBVHICDVCQYTC-SIKLNZKXSA-N 2 0 384.524 0.879 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[C@H]1[NH3+] ZINC000419168357 1192828980 /nfs/dbraw/zinc/82/89/80/1192828980.db2.gz RSQAKNYAORHXGB-NZSAHSFTSA-N 2 0 388.512 0.589 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419177690 1192829611 /nfs/dbraw/zinc/82/96/11/1192829611.db2.gz FBQIEZVVHUHVKJ-KZNAEPCWSA-N 2 0 380.533 0.864 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000419190022 1192830904 /nfs/dbraw/zinc/83/09/04/1192830904.db2.gz MEXUYNMJPXQBMV-UHFFFAOYSA-N 2 0 389.544 0.506 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419191517 1192831316 /nfs/dbraw/zinc/83/13/16/1192831316.db2.gz OFAFADUMPJKVKV-UHFFFAOYSA-N 2 0 381.565 0.557 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000419192622 1192831448 /nfs/dbraw/zinc/83/14/48/1192831448.db2.gz PPBDRYHSWICRDY-UHFFFAOYSA-N 2 0 380.464 0.259 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000419196405 1192832628 /nfs/dbraw/zinc/83/26/28/1192832628.db2.gz AVZRCDBYDVUVEX-QXAKKESOSA-N 2 0 388.512 0.829 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000419197569 1192834157 /nfs/dbraw/zinc/83/41/57/1192834157.db2.gz KKZIEMZUYKGJCB-QGZVFWFLSA-N 2 0 375.517 0.035 20 0 GCADRP CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000419187639 1192835823 /nfs/dbraw/zinc/83/58/23/1192835823.db2.gz JGIWOFYXVQNKQD-LJQANCHMSA-N 2 0 388.512 0.721 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000419198368 1192836852 /nfs/dbraw/zinc/83/68/52/1192836852.db2.gz CHOPTEKNOGQYIU-ZRGWGRIASA-N 2 0 388.512 0.766 20 0 GCADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419203125 1192840515 /nfs/dbraw/zinc/84/05/15/1192840515.db2.gz HKVXVVYIAFYACN-IBGZPJMESA-N 2 0 388.512 0.783 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000419209939 1192894254 /nfs/dbraw/zinc/89/42/54/1192894254.db2.gz UIKUICTXESHIHX-INIZCTEOSA-N 2 0 376.505 0.083 20 0 GCADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419210988 1192898290 /nfs/dbraw/zinc/89/82/90/1192898290.db2.gz WIIBMHYBVMPHRJ-IBGZPJMESA-N 2 0 388.512 0.783 20 0 GCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)CC1 ZINC000428736188 1192902538 /nfs/dbraw/zinc/90/25/38/1192902538.db2.gz GUZAOIXESGJLLR-MJGOQNOKSA-N 2 0 381.517 0.877 20 0 GCADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410844203 1192907921 /nfs/dbraw/zinc/90/79/21/1192907921.db2.gz SOOROWYUSDUODV-PKOBYXMFSA-N 2 0 385.512 0.919 20 0 GCADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512584408 1192911755 /nfs/dbraw/zinc/91/17/55/1192911755.db2.gz XYJAGVOFZNUGMU-KDURUIRLSA-N 2 0 383.581 0.939 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000419220176 1192920978 /nfs/dbraw/zinc/92/09/78/1192920978.db2.gz URUPATJOHZHNMD-JTDSTZFVSA-N 2 0 388.512 0.862 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000419220201 1192921079 /nfs/dbraw/zinc/92/10/79/1192921079.db2.gz UWUKBAGPTSSGEI-HZPDHXFCSA-N 2 0 376.501 0.638 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410989907 1192922590 /nfs/dbraw/zinc/92/25/90/1192922590.db2.gz SDKBTFBZVHJJNS-SJLPKXTDSA-N 2 0 379.549 0.023 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C[NH3+] ZINC000419221938 1192924213 /nfs/dbraw/zinc/92/42/13/1192924213.db2.gz WKBABAGSGCLHLH-MAUKXSAKSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C[NH3+] ZINC000419221933 1192924418 /nfs/dbraw/zinc/92/44/18/1192924418.db2.gz WKBABAGSGCLHLH-CRAIPNDOSA-N 2 0 376.501 0.829 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000274675746 1184177994 /nfs/dbraw/zinc/17/79/94/1184177994.db2.gz PZOSKNKZUVIDNF-UHFFFAOYSA-N 2 0 379.505 0.091 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000274700952 1184196483 /nfs/dbraw/zinc/19/64/83/1184196483.db2.gz XWFMBCBGTQMEIJ-QGZVFWFLSA-N 2 0 394.516 0.892 20 0 GCADRP CN(C[C@H]1CCC[NH+]1C)C(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000616384900 1184196882 /nfs/dbraw/zinc/19/68/82/1184196882.db2.gz ZGQXORVIRTVNDD-HUUCEWRRSA-N 2 0 376.505 0.742 20 0 GCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000643553788 1184208758 /nfs/dbraw/zinc/20/87/58/1184208758.db2.gz PLICDIDCULDXCV-FGTMMUONSA-N 2 0 380.533 0.720 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cn1 ZINC000654966893 1184227507 /nfs/dbraw/zinc/22/75/07/1184227507.db2.gz QWZDQCPFEWFNPR-QGZVFWFLSA-N 2 0 392.504 0.097 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000642700150 1184297370 /nfs/dbraw/zinc/29/73/70/1184297370.db2.gz ZJKAANQMTRKEKB-NEPXVJNWSA-N 2 0 388.512 0.588 20 0 GCADRP CCCN1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2C1 ZINC000579854436 1184340695 /nfs/dbraw/zinc/34/06/95/1184340695.db2.gz YXCGCTYBCOOBEJ-ZBFHGGJFSA-N 2 0 385.468 0.121 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440986851 1184457889 /nfs/dbraw/zinc/45/78/89/1184457889.db2.gz OGCQAJDUBSNTES-UHFFFAOYSA-N 2 0 396.580 0.254 20 0 GCADRP COc1cc(C(=O)N2CCN(CCC(=O)N3CCN(C)CC3)CC2)ccc1C ZINC000275217028 1184557425 /nfs/dbraw/zinc/55/74/25/1184557425.db2.gz IWBWBKMEBYFNDC-UHFFFAOYSA-N 2 0 388.512 0.926 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419171793 1184572456 /nfs/dbraw/zinc/57/24/56/1184572456.db2.gz YFYYHOPCOBYFFD-QRVBRYPASA-N 2 0 388.512 0.780 20 0 GCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000655557262 1184572902 /nfs/dbraw/zinc/57/29/02/1184572902.db2.gz UATBXRLEXYWPOU-AZUAARDMSA-N 2 0 379.549 0.520 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275530271 1184700451 /nfs/dbraw/zinc/70/04/51/1184700451.db2.gz XHWBHDSZASQFDW-UHFFFAOYSA-N 2 0 376.501 0.956 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458019109 1184724934 /nfs/dbraw/zinc/72/49/34/1184724934.db2.gz QWFCNODGSBWEGF-GOSISDBHSA-N 2 0 390.532 0.479 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H](OCCO)C1 ZINC000275588484 1184771374 /nfs/dbraw/zinc/77/13/74/1184771374.db2.gz CHKBPJGJUITXEI-LJQANCHMSA-N 2 0 391.516 0.777 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@H+](C)C1 ZINC000413393533 1184814811 /nfs/dbraw/zinc/81/48/11/1184814811.db2.gz LDRRVPFICFYYJT-KBAYOESNSA-N 2 0 396.532 0.501 20 0 GCADRP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@H+](C)C1 ZINC000413393515 1184814983 /nfs/dbraw/zinc/81/49/83/1184814983.db2.gz LBHDKAZELOJQFS-PVAVHDDUSA-N 2 0 382.505 0.110 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCCO1 ZINC000642733059 1184818924 /nfs/dbraw/zinc/81/89/24/1184818924.db2.gz WRYJCDCXOAGZRC-RBUKOAKNSA-N 2 0 388.512 0.906 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419214114 1184823310 /nfs/dbraw/zinc/82/33/10/1184823310.db2.gz MHHCXUWTVLPZKT-IYBDPMFKSA-N 2 0 376.501 0.590 20 0 GCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837572 1184838097 /nfs/dbraw/zinc/83/80/97/1184838097.db2.gz VMTZWQZDZHJORJ-IAGOWNOFSA-N 2 0 389.500 0.203 20 0 GCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837574 1184838491 /nfs/dbraw/zinc/83/84/91/1184838491.db2.gz VMTZWQZDZHJORJ-SJORKVTESA-N 2 0 389.500 0.203 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275637893 1184846431 /nfs/dbraw/zinc/84/64/31/1184846431.db2.gz MNZRMLQNYRYKOU-ROUUACIJSA-N 2 0 389.500 0.442 20 0 GCADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000648149355 1184848701 /nfs/dbraw/zinc/84/87/01/1184848701.db2.gz VHGCJZGSXDISGJ-IBGZPJMESA-N 2 0 376.501 0.829 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000121983584 1184912353 /nfs/dbraw/zinc/91/23/53/1184912353.db2.gz NQMNONDIYLYDQZ-NJAFHUGGSA-N 2 0 380.533 0.281 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000419299355 1184999473 /nfs/dbraw/zinc/99/94/73/1184999473.db2.gz JQSDFRGJBMOYFZ-OAHLLOKOSA-N 2 0 393.507 0.823 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000656105013 1185031265 /nfs/dbraw/zinc/03/12/65/1185031265.db2.gz XNGALGAURWVANN-INIZCTEOSA-N 2 0 380.533 0.533 20 0 GCADRP CC[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000642782857 1185068653 /nfs/dbraw/zinc/06/86/53/1185068653.db2.gz ALFZFOVSBDQXBK-IEBWSBKVSA-N 2 0 390.528 0.872 20 0 GCADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000642783102 1185069962 /nfs/dbraw/zinc/06/99/62/1185069962.db2.gz XKAHWCXCPRFCAD-QGZVFWFLSA-N 2 0 376.501 0.892 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC[C@@H]21 ZINC000580165400 1185099307 /nfs/dbraw/zinc/09/93/07/1185099307.db2.gz GCDPANVURNEEAL-MOPGFXCFSA-N 2 0 392.544 0.500 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580196341 1185114542 /nfs/dbraw/zinc/11/45/42/1185114542.db2.gz GJCQYIJWKBKPOO-XYJFISCASA-N 2 0 376.501 0.636 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000580245843 1185127645 /nfs/dbraw/zinc/12/76/45/1185127645.db2.gz FYCZMEDTQOTAPA-KRWDZBQOSA-N 2 0 382.549 0.794 20 0 GCADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000580247887 1185131380 /nfs/dbraw/zinc/13/13/80/1185131380.db2.gz QVKWORZYBPMFOG-ZWKOTPCHSA-N 2 0 382.549 0.794 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000517641763 1185175822 /nfs/dbraw/zinc/17/58/22/1185175822.db2.gz WDMSQFWNGMCLCM-HNNXBMFYSA-N 2 0 391.516 0.447 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000642789477 1185228928 /nfs/dbraw/zinc/22/89/28/1185228928.db2.gz QCIHKTWBSOSRCN-SJORKVTESA-N 2 0 380.533 0.724 20 0 GCADRP CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000580476859 1185245553 /nfs/dbraw/zinc/24/55/53/1185245553.db2.gz MFAPTKQKHCGKAK-ROUUACIJSA-N 2 0 394.560 0.861 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)C ZINC000580491335 1185251408 /nfs/dbraw/zinc/25/14/08/1185251408.db2.gz JWRVTBUUNILOTQ-ZWKOTPCHSA-N 2 0 382.549 0.717 20 0 GCADRP Cn1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C(F)(F)F ZINC000580692798 1185306759 /nfs/dbraw/zinc/30/67/59/1185306759.db2.gz MAYRCKJETZPVRV-UHFFFAOYSA-N 2 0 378.399 0.329 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000580737288 1185320094 /nfs/dbraw/zinc/32/00/94/1185320094.db2.gz PMCAXUQLCVLVFL-MOPGFXCFSA-N 2 0 394.560 0.813 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656284844 1185321490 /nfs/dbraw/zinc/32/14/90/1185321490.db2.gz AHQUAVRGIVHVRA-FGTMMUONSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000580741141 1185325131 /nfs/dbraw/zinc/32/51/31/1185325131.db2.gz LIDAIIXXBFWSKX-QFBILLFUSA-N 2 0 392.544 0.831 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000580764472 1185349655 /nfs/dbraw/zinc/34/96/55/1185349655.db2.gz DKTGAKCICOFHHX-SFHVURJKSA-N 2 0 375.517 0.207 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656297008 1185355905 /nfs/dbraw/zinc/35/59/05/1185355905.db2.gz QLYDETCRBKXEBF-MOPGFXCFSA-N 2 0 393.576 0.653 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656297011 1185355960 /nfs/dbraw/zinc/35/59/60/1185355960.db2.gz QLYDETCRBKXEBF-RTBURBONSA-N 2 0 393.576 0.653 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000656315571 1185399996 /nfs/dbraw/zinc/39/99/96/1185399996.db2.gz LDVIDGSLBNGCRE-QGZVFWFLSA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)N3CCOCC3)cn2)CC1 ZINC000061136655 1185409869 /nfs/dbraw/zinc/40/98/69/1185409869.db2.gz WJOAGOGTJBWFBO-UHFFFAOYSA-N 2 0 390.532 0.743 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000276001357 1185420867 /nfs/dbraw/zinc/42/08/67/1185420867.db2.gz KZEGBXVAFZQDSY-MRXNPFEDSA-N 2 0 378.521 0.850 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000656327663 1185422193 /nfs/dbraw/zinc/42/21/93/1185422193.db2.gz VTJXQNXWGZWKMB-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656330544 1185427658 /nfs/dbraw/zinc/42/76/58/1185427658.db2.gz PSQZORBZLYFYDF-UHOSZYNNSA-N 2 0 392.544 0.737 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656330546 1185427709 /nfs/dbraw/zinc/42/77/09/1185427709.db2.gz PSQZORBZLYFYDF-WDSOQIARSA-N 2 0 392.544 0.737 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354123 1185448312 /nfs/dbraw/zinc/44/83/12/1185448312.db2.gz FCWPMHWQZFYUCU-KSZLIROESA-N 2 0 380.533 0.689 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000580967097 1185453388 /nfs/dbraw/zinc/45/33/88/1185453388.db2.gz AMHWIBBANJCGMX-MOPGFXCFSA-N 2 0 393.576 0.463 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000656355628 1185455623 /nfs/dbraw/zinc/45/56/23/1185455623.db2.gz MDTJAJNWTLATDG-KURKYZTESA-N 2 0 378.517 0.300 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000581000822 1185468941 /nfs/dbraw/zinc/46/89/41/1185468941.db2.gz SMLVMZLFTBRYQC-HXUWFJFHSA-N 2 0 388.560 0.608 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581063704 1185481126 /nfs/dbraw/zinc/48/11/26/1185481126.db2.gz NOSPJXDIOSKPAD-WMLDXEAASA-N 2 0 380.533 0.591 20 0 GCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC[C@H]21 ZINC000581078038 1185487812 /nfs/dbraw/zinc/48/78/12/1185487812.db2.gz RIFQUKZIAUYOMF-OWYHZJEWSA-N 2 0 392.544 0.423 20 0 GCADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000581194229 1185527172 /nfs/dbraw/zinc/52/71/72/1185527172.db2.gz XODSZAJXMOMXQU-XLIONFOSSA-N 2 0 392.544 0.785 20 0 GCADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000891362530 1185535400 /nfs/dbraw/zinc/53/54/00/1185535400.db2.gz ABLMWMBWOJWUID-KSZLIROESA-N 2 0 387.484 0.825 20 0 GCADRP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104347302 1185621361 /nfs/dbraw/zinc/62/13/61/1185621361.db2.gz VODHXOWGXFJAIT-OHDICMOHSA-N 2 0 392.548 0.688 20 0 GCADRP CC[NH2+]CC1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000430581855 1185638492 /nfs/dbraw/zinc/63/84/92/1185638492.db2.gz PPTSOQRUNZOTOK-UHFFFAOYSA-N 2 0 381.565 0.367 20 0 GCADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430582318 1185639196 /nfs/dbraw/zinc/63/91/96/1185639196.db2.gz PVFLLSKHUGPENO-HNNXBMFYSA-N 2 0 396.557 0.703 20 0 GCADRP [NH3+]CCCOC1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000430598847 1185677079 /nfs/dbraw/zinc/67/70/79/1185677079.db2.gz ULFHCDZEEIACHB-UHFFFAOYSA-N 2 0 396.576 0.968 20 0 GCADRP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430605240 1185701467 /nfs/dbraw/zinc/70/14/67/1185701467.db2.gz QEQQBLLFOTUPSM-SFHVURJKSA-N 2 0 376.501 0.626 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419517460 1185709954 /nfs/dbraw/zinc/70/99/54/1185709954.db2.gz WZLBPCLPHXFSDC-UHFFFAOYSA-N 2 0 389.544 0.691 20 0 GCADRP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C2CC2)cc1 ZINC000430607959 1185725512 /nfs/dbraw/zinc/72/55/12/1185725512.db2.gz BVTQFHPYKNPOQD-KRWDZBQOSA-N 2 0 388.512 0.973 20 0 GCADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607458 1185731620 /nfs/dbraw/zinc/73/16/20/1185731620.db2.gz CFXJUAFYDBKLIT-HZPDHXFCSA-N 2 0 393.532 0.677 20 0 GCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891424400 1185743546 /nfs/dbraw/zinc/74/35/46/1185743546.db2.gz USXJALMRWBWVAG-MULDDASSSA-N 2 0 393.532 0.929 20 0 GCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891424401 1185743718 /nfs/dbraw/zinc/74/37/18/1185743718.db2.gz USXJALMRWBWVAG-ZKZVPCBQSA-N 2 0 393.532 0.929 20 0 GCADRP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430612946 1185763846 /nfs/dbraw/zinc/76/38/46/1185763846.db2.gz TXLCYKWEAPPYSN-FUHWJXTLSA-N 2 0 388.512 0.844 20 0 GCADRP COc1cc(NC(=O)CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc(OC)c1OC ZINC000430612552 1185766178 /nfs/dbraw/zinc/76/61/78/1185766178.db2.gz RTXMKGCJYQDOAF-UHFFFAOYSA-N 2 0 394.472 0.405 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581597872 1185780308 /nfs/dbraw/zinc/78/03/08/1185780308.db2.gz IEVJWFOLXDHOGG-QRQLOZEOSA-N 2 0 387.528 0.115 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000430617682 1185786825 /nfs/dbraw/zinc/78/68/25/1185786825.db2.gz OHUJGHOEXOITCS-KRWDZBQOSA-N 2 0 387.484 0.156 20 0 GCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000581622077 1185791159 /nfs/dbraw/zinc/79/11/59/1185791159.db2.gz SFUZVRGXDHHNKL-KRWDZBQOSA-N 2 0 380.533 0.548 20 0 GCADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430622143 1185802068 /nfs/dbraw/zinc/80/20/68/1185802068.db2.gz DSLJOLLQLLATIV-MRXNPFEDSA-N 2 0 382.530 0.314 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000430625361 1185808198 /nfs/dbraw/zinc/80/81/98/1185808198.db2.gz KKUIDMIDGBZAQU-KZNAEPCWSA-N 2 0 378.517 0.300 20 0 GCADRP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430624097 1185809070 /nfs/dbraw/zinc/80/90/70/1185809070.db2.gz IBOULLZTEPFBLR-LJQANCHMSA-N 2 0 388.512 0.593 20 0 GCADRP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430625925 1185809641 /nfs/dbraw/zinc/80/96/41/1185809641.db2.gz KEXSRURXOJRDHW-GDBMZVCRSA-N 2 0 375.473 0.188 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000430630956 1185818576 /nfs/dbraw/zinc/81/85/76/1185818576.db2.gz ZLNANSXYCISFPD-QGZVFWFLSA-N 2 0 393.557 0.179 20 0 GCADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430633913 1185822460 /nfs/dbraw/zinc/82/24/60/1185822460.db2.gz CMRPKQVOWGBPIN-MRXNPFEDSA-N 2 0 387.484 0.258 20 0 GCADRP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430638646 1185842758 /nfs/dbraw/zinc/84/27/58/1185842758.db2.gz CVUHIQTVXKVYSB-MRXNPFEDSA-N 2 0 383.514 0.757 20 0 GCADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430641924 1185846664 /nfs/dbraw/zinc/84/66/64/1185846664.db2.gz JPEIGVUMEWJMCM-KBPBESRZSA-N 2 0 376.457 0.572 20 0 GCADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000430641414 1185850018 /nfs/dbraw/zinc/85/00/18/1185850018.db2.gz STTZMSSXSVSGRP-LBPRGKRZSA-N 2 0 395.891 0.554 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000430643841 1185855624 /nfs/dbraw/zinc/85/56/24/1185855624.db2.gz MMSOVJSJEABEPI-LJQANCHMSA-N 2 0 398.511 0.335 20 0 GCADRP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430645258 1185858447 /nfs/dbraw/zinc/85/84/47/1185858447.db2.gz ATYBUVSLRTYXET-SFHVURJKSA-N 2 0 388.512 0.845 20 0 GCADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645832 1185858555 /nfs/dbraw/zinc/85/85/55/1185858555.db2.gz ORUDSRUAQVNJJX-GJZGRUSLSA-N 2 0 390.484 0.962 20 0 GCADRP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430650118 1185866877 /nfs/dbraw/zinc/86/68/77/1185866877.db2.gz JZZZECRIJCRUKA-DOTOQJQBSA-N 2 0 376.476 0.974 20 0 GCADRP CCCNC(=O)CN1CCC(NC(=O)CN2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000051202171 1185875774 /nfs/dbraw/zinc/87/57/74/1185875774.db2.gz OVUBYKLQMXZSFR-INIZCTEOSA-N 2 0 396.532 0.368 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000581747692 1185877805 /nfs/dbraw/zinc/87/78/05/1185877805.db2.gz VRZDNJWJXOOUCF-KSZLIROESA-N 2 0 380.533 0.689 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000581747693 1185878669 /nfs/dbraw/zinc/87/86/69/1185878669.db2.gz VRZDNJWJXOOUCF-KURKYZTESA-N 2 0 380.533 0.689 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891482574 1185886977 /nfs/dbraw/zinc/88/69/77/1185886977.db2.gz KBZJSVDUTDSXKH-MOPGFXCFSA-N 2 0 387.528 0.943 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484807 1185888345 /nfs/dbraw/zinc/88/83/45/1185888345.db2.gz YDLXDBQEJHTVLN-DLBZAZTESA-N 2 0 395.548 0.387 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891493730 1185892859 /nfs/dbraw/zinc/89/28/59/1185892859.db2.gz ZQVFTGJZIKKTBS-ZACQAIPSSA-N 2 0 395.504 0.064 20 0 GCADRP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430657321 1185896808 /nfs/dbraw/zinc/89/68/08/1185896808.db2.gz VOMZHVYJPMRTQP-CYBMUJFWSA-N 2 0 382.892 0.752 20 0 GCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891519412 1185903009 /nfs/dbraw/zinc/90/30/09/1185903009.db2.gz XSOJANOQMQNVIZ-NXOAAHMSSA-N 2 0 379.505 0.683 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C[NH+]1CCCC1 ZINC000581839621 1185910142 /nfs/dbraw/zinc/91/01/42/1185910142.db2.gz QSGIETHGBYJMSE-QRQLOZEOSA-N 2 0 394.560 0.719 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559239 1185920176 /nfs/dbraw/zinc/92/01/76/1185920176.db2.gz CXWBDIMSGDWGQV-WMZOPIPTSA-N 2 0 379.549 0.613 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891563293 1185921999 /nfs/dbraw/zinc/92/19/99/1185921999.db2.gz COPJBOHYYWNLFH-ICSRJNTNSA-N 2 0 379.549 0.568 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C(F)(F)F ZINC000891567074 1185922658 /nfs/dbraw/zinc/92/26/58/1185922658.db2.gz VKBGPMIIIDTDMJ-ILXRZTDVSA-N 2 0 393.454 0.172 20 0 GCADRP COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000261961095 1185922793 /nfs/dbraw/zinc/92/27/93/1185922793.db2.gz PGAWSEFDEFFDDF-GOSISDBHSA-N 2 0 375.517 0.808 20 0 GCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000891576776 1185924783 /nfs/dbraw/zinc/92/47/83/1185924783.db2.gz UFGROMSYIWTAIJ-WMZOPIPTSA-N 2 0 380.533 0.945 20 0 GCADRP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430668344 1185943610 /nfs/dbraw/zinc/94/36/10/1185943610.db2.gz RCSIHLHRBNBKCH-HZPDHXFCSA-N 2 0 399.495 0.504 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000785072862 1185946618 /nfs/dbraw/zinc/94/66/18/1185946618.db2.gz DWUSXIBNJLSJOC-UHFFFAOYSA-N 2 0 377.489 0.071 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000419664913 1185953702 /nfs/dbraw/zinc/95/37/02/1185953702.db2.gz SOKIOMPOOORELD-IAGOWNOFSA-N 2 0 376.501 0.672 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000564649682 1185956049 /nfs/dbraw/zinc/95/60/49/1185956049.db2.gz MMWPZDPORQCWRK-DLBZAZTESA-N 2 0 381.546 0.641 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1cnc(N(C)C)n1C ZINC000083717537 1185960855 /nfs/dbraw/zinc/96/08/55/1185960855.db2.gz QKOUAKNEMMAWNJ-OAHLLOKOSA-N 2 0 379.509 0.228 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CCCC2)CC1 ZINC000419750876 1185965427 /nfs/dbraw/zinc/96/54/27/1185965427.db2.gz JJUAHCANVYRJHQ-HOTGVXAUSA-N 2 0 380.533 0.912 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000419890830 1185977378 /nfs/dbraw/zinc/97/73/78/1185977378.db2.gz IGDAQXHIOAYWEJ-MSOLQXFVSA-N 2 0 380.533 0.724 20 0 GCADRP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000581931335 1185993267 /nfs/dbraw/zinc/99/32/67/1185993267.db2.gz MRBJNCCMAIXSOW-UHFFFAOYSA-N 2 0 385.512 0.511 20 0 GCADRP COCCC1(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000891725379 1185996340 /nfs/dbraw/zinc/99/63/40/1185996340.db2.gz FWBWXJAGXDHOJE-UHFFFAOYSA-N 2 0 379.505 0.980 20 0 GCADRP CC[NH+]1C[C@@H](C)N(C(=O)COCC(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000581967563 1186013346 /nfs/dbraw/zinc/01/33/46/1186013346.db2.gz XGHISZHKPBKCJQ-USTZCAOPSA-N 2 0 382.549 0.885 20 0 GCADRP C[N@H+](CCNC(=O)C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000430798813 1186030907 /nfs/dbraw/zinc/03/09/07/1186030907.db2.gz VCRFJCMUAMCINX-IBGZPJMESA-N 2 0 388.512 0.462 20 0 GCADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000430923999 1186053681 /nfs/dbraw/zinc/05/36/81/1186053681.db2.gz HEPIVYFPIUONMP-UHFFFAOYSA-N 2 0 394.541 0.451 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430935640 1186058148 /nfs/dbraw/zinc/05/81/48/1186058148.db2.gz UUGABKHJTCEOQC-ZIAGYGMSSA-N 2 0 382.530 0.440 20 0 GCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000430959038 1186068550 /nfs/dbraw/zinc/06/85/50/1186068550.db2.gz VSAKEVUYDXUQAF-MRXNPFEDSA-N 2 0 388.512 0.834 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCO1 ZINC000891854059 1186094345 /nfs/dbraw/zinc/09/43/45/1186094345.db2.gz ADKZPGOLDJCAPZ-VQHPVUNQSA-N 2 0 395.504 0.064 20 0 GCADRP COCC[C@@]1(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[NH2+]C1 ZINC000431007341 1186102038 /nfs/dbraw/zinc/10/20/38/1186102038.db2.gz PQGOHOALWDBURO-FQEVSTJZSA-N 2 0 382.549 0.746 20 0 GCADRP COCC[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000431028162 1186107113 /nfs/dbraw/zinc/10/71/13/1186107113.db2.gz NJMYIGNTQWJZJJ-HXUWFJFHSA-N 3 0 375.517 0.726 20 0 GCADRP C[NH+]1CCN(c2cc(CNC(=O)c3cn(C4CC[NH2+]CC4)nn3)ccn2)CC1 ZINC000431028275 1186107165 /nfs/dbraw/zinc/10/71/65/1186107165.db2.gz OLQRJGMDASGYKZ-UHFFFAOYSA-N 2 0 384.488 0.279 20 0 GCADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000431034240 1186110102 /nfs/dbraw/zinc/11/01/02/1186110102.db2.gz UTTORICCPYTHJN-HUUCEWRRSA-N 2 0 394.541 0.975 20 0 GCADRP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039606 1186110847 /nfs/dbraw/zinc/11/08/47/1186110847.db2.gz IRNXQFUVKQQHTP-UHFFFAOYSA-N 2 0 378.498 0.299 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000582003627 1186180611 /nfs/dbraw/zinc/18/06/11/1186180611.db2.gz RHCVQRLXSZEXFM-NFAWXSAZSA-N 2 0 380.489 0.665 20 0 GCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535723307 1186203263 /nfs/dbraw/zinc/20/32/63/1186203263.db2.gz VWICZIUMBHFGRE-KRWDZBQOSA-N 2 0 379.549 0.119 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458239239 1186218112 /nfs/dbraw/zinc/21/81/12/1186218112.db2.gz ZBBPPBOJPJJHCD-IRXDYDNUSA-N 2 0 383.537 0.075 20 0 GCADRP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001707906811 1186237670 /nfs/dbraw/zinc/23/76/70/1186237670.db2.gz KMNOTXWMNWNTBM-UHFFFAOYSA-N 2 0 387.532 0.593 20 0 GCADRP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC[NH+]1CC=CCC1 ZINC001707907001 1186243052 /nfs/dbraw/zinc/24/30/52/1186243052.db2.gz QNNVMFHSMMECHO-SFHVURJKSA-N 2 0 387.532 0.591 20 0 GCADRP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001707907335 1186244784 /nfs/dbraw/zinc/24/47/84/1186244784.db2.gz VZZYSYNUGUMABH-MRXNPFEDSA-N 2 0 389.548 0.814 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)CC1 ZINC000610869777 1186248956 /nfs/dbraw/zinc/24/89/56/1186248956.db2.gz QQJDNSVUDAREBR-SFHVURJKSA-N 2 0 397.483 0.444 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)CC[N@@H+]1C ZINC001022528315 1186271360 /nfs/dbraw/zinc/27/13/60/1186271360.db2.gz PHZFVRBPUUVYET-UKBAYJJMSA-N 2 0 392.544 0.497 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000097573572 1186280557 /nfs/dbraw/zinc/28/05/57/1186280557.db2.gz MUMAPOBGEOEPCI-UHFFFAOYSA-N 2 0 396.557 0.867 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000236831999 1186290740 /nfs/dbraw/zinc/29/07/40/1186290740.db2.gz ZGRRWRMCTAFUKL-DLBZAZTESA-N 2 0 380.533 0.676 20 0 GCADRP COC(=O)c1cncc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1 ZINC000582040324 1186379251 /nfs/dbraw/zinc/37/92/51/1186379251.db2.gz DLBVXSSGPFMPDV-UHFFFAOYSA-N 2 0 384.502 0.515 20 0 GCADRP C[NH+]1CCC(OCC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000934297878 1186418556 /nfs/dbraw/zinc/41/85/56/1186418556.db2.gz NKTPLMXXUKBDEI-UHFFFAOYSA-N 2 0 382.549 0.840 20 0 GCADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892187832 1186419069 /nfs/dbraw/zinc/41/90/69/1186419069.db2.gz NJLZWAITSYOGBB-FCGDIQPGSA-N 2 0 379.549 0.470 20 0 GCADRP C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000892218773 1186458090 /nfs/dbraw/zinc/45/80/90/1186458090.db2.gz MDWKOAIEKFLLRG-UHFFFAOYSA-N 2 0 380.514 0.214 20 0 GCADRP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(F)c1 ZINC000892226085 1186471195 /nfs/dbraw/zinc/47/11/95/1186471195.db2.gz VRFNPYJUXDVQBI-GOSISDBHSA-N 2 0 393.507 0.880 20 0 GCADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC1 ZINC000582252539 1186478354 /nfs/dbraw/zinc/47/83/54/1186478354.db2.gz KFBVXPMNEPSPKQ-ZWKOTPCHSA-N 2 0 385.512 0.995 20 0 GCADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892263369 1186539191 /nfs/dbraw/zinc/53/91/91/1186539191.db2.gz NKWNZIGPUOOERT-IBGZPJMESA-N 2 0 387.528 0.991 20 0 GCADRP CCOC(=O)[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277645763 1186552156 /nfs/dbraw/zinc/55/21/56/1186552156.db2.gz DSZXHGWOANGZRO-OAHLLOKOSA-N 2 0 375.429 0.077 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000582543313 1186561853 /nfs/dbraw/zinc/56/18/53/1186561853.db2.gz ZDCSLPANOVBCMM-KRWDZBQOSA-N 2 0 399.499 0.252 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000582550724 1186563604 /nfs/dbraw/zinc/56/36/04/1186563604.db2.gz WSCDIAKGEBLUJV-UHFFFAOYSA-N 2 0 381.565 0.461 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000569615912 1186563846 /nfs/dbraw/zinc/56/38/46/1186563846.db2.gz CQFVBJKYWUNSMR-ZWKOTPCHSA-N 2 0 380.533 0.473 20 0 GCADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)([NH+](C)C)C1 ZINC000668630004 1186587957 /nfs/dbraw/zinc/58/79/57/1186587957.db2.gz FWCFCYRHNWEJNV-HGHGUNKESA-N 2 0 394.560 0.983 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000582619965 1186588041 /nfs/dbraw/zinc/58/80/41/1186588041.db2.gz MDGOPSVECKZIIK-NUJGCVRESA-N 2 0 379.549 0.116 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431468238 1186597780 /nfs/dbraw/zinc/59/77/80/1186597780.db2.gz CJPFUTWANDFYBE-GOSISDBHSA-N 2 0 396.580 0.304 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000668633252 1186602581 /nfs/dbraw/zinc/60/25/81/1186602581.db2.gz JCJBBQKWXSUSHC-KRWDZBQOSA-N 2 0 380.533 0.737 20 0 GCADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667003 1186603603 /nfs/dbraw/zinc/60/36/03/1186603603.db2.gz QJUQVADEPMEKAT-YRPNKDGESA-N 2 0 387.528 0.137 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000582670424 1186605317 /nfs/dbraw/zinc/60/53/17/1186605317.db2.gz YBQGOQGOQIANEH-PXNSSMCTSA-N 2 0 389.519 0.842 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277788241 1186610239 /nfs/dbraw/zinc/61/02/39/1186610239.db2.gz ZXXJNDWNXPBUEP-VQTJNVASSA-N 2 0 389.544 0.823 20 0 GCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000892285372 1186620423 /nfs/dbraw/zinc/62/04/23/1186620423.db2.gz UGLCMURDTYKJAJ-HNNXBMFYSA-N 2 0 385.472 0.516 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000075007855 1186628416 /nfs/dbraw/zinc/62/84/16/1186628416.db2.gz UVPIUONRILZYOV-SJORKVTESA-N 2 0 382.549 0.922 20 0 GCADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000075007856 1186628532 /nfs/dbraw/zinc/62/85/32/1186628532.db2.gz UVPIUONRILZYOV-DLBZAZTESA-N 2 0 382.549 0.922 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000077771939 1186653928 /nfs/dbraw/zinc/65/39/28/1186653928.db2.gz AYFAFFKHSNRVBX-UHFFFAOYSA-N 2 0 378.521 0.553 20 0 GCADRP C[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000153290807 1186664855 /nfs/dbraw/zinc/66/48/55/1186664855.db2.gz RDGNJZAOXICASG-NEWSRXKRSA-N 2 0 376.501 0.642 20 0 GCADRP Cc1ccccc1N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000582771421 1186666148 /nfs/dbraw/zinc/66/61/48/1186666148.db2.gz SRJVMRJDLYDXOW-UHFFFAOYSA-N 2 0 389.544 0.595 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000582895916 1186724772 /nfs/dbraw/zinc/72/47/72/1186724772.db2.gz WCXIHMKGLBQQFK-MSOLQXFVSA-N 2 0 387.528 0.409 20 0 GCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)ccc2oc1=O ZINC000162000272 1186738750 /nfs/dbraw/zinc/73/87/50/1186738750.db2.gz YAIHCLLVDWGTKM-UHFFFAOYSA-N 2 0 389.456 0.259 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000583019015 1186748586 /nfs/dbraw/zinc/74/85/86/1186748586.db2.gz XAXHGXUARBHXSU-ROUUACIJSA-N 2 0 379.549 0.202 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[C@H](C[NH3+])C1 ZINC000583019016 1186748666 /nfs/dbraw/zinc/74/86/66/1186748666.db2.gz XAXHGXUARBHXSU-ZWKOTPCHSA-N 2 0 379.549 0.202 20 0 GCADRP CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[C@H](C[NH3+])C1 ZINC000583019014 1186748748 /nfs/dbraw/zinc/74/87/48/1186748748.db2.gz XAXHGXUARBHXSU-QZTJIDSGSA-N 2 0 379.549 0.202 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000583036332 1186754146 /nfs/dbraw/zinc/75/41/46/1186754146.db2.gz LFPIQSDCWYARKU-UHFFFAOYSA-N 2 0 375.517 0.118 20 0 GCADRP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000583161348 1186785514 /nfs/dbraw/zinc/78/55/14/1186785514.db2.gz TVFLSJQVWCTBBS-DAWZGUTISA-N 2 0 379.549 0.071 20 0 GCADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569622049 1186787481 /nfs/dbraw/zinc/78/74/81/1186787481.db2.gz FQKYFNSVCZKDNF-LSTHTHJFSA-N 2 0 399.539 0.400 20 0 GCADRP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000155190678 1186809935 /nfs/dbraw/zinc/80/99/35/1186809935.db2.gz WCDWKKXKBHNZEY-SJORKVTESA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)C2)CC1 ZINC000583281575 1186816623 /nfs/dbraw/zinc/81/66/23/1186816623.db2.gz OXIHOIOXZLFGCK-QGZVFWFLSA-N 2 0 379.549 0.214 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000583285810 1186817783 /nfs/dbraw/zinc/81/77/83/1186817783.db2.gz QBVYSNMPCNCYHH-IPMKNSEASA-N 2 0 392.544 0.567 20 0 GCADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000583386970 1186841725 /nfs/dbraw/zinc/84/17/25/1186841725.db2.gz UGGCGAAXMZHTGV-GOSISDBHSA-N 2 0 380.533 0.405 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000583511594 1186875490 /nfs/dbraw/zinc/87/54/90/1186875490.db2.gz OGTIQMWOWVQFHP-RTBURBONSA-N 2 0 388.512 0.257 20 0 GCADRP C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000536057150 1186876798 /nfs/dbraw/zinc/87/67/98/1186876798.db2.gz IVXFXDJSEOQJFN-HZPDHXFCSA-N 2 0 395.548 0.685 20 0 GCADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](CC2CC2)CC1 ZINC000329220797 1186879330 /nfs/dbraw/zinc/87/93/30/1186879330.db2.gz BOOALPXZMLHTLX-SFHVURJKSA-N 2 0 378.517 0.254 20 0 GCADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000278328249 1186890399 /nfs/dbraw/zinc/89/03/99/1186890399.db2.gz VYKAXUOLQONXHH-MSOLQXFVSA-N 2 0 375.517 0.806 20 0 GCADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000583585414 1186892348 /nfs/dbraw/zinc/89/23/48/1186892348.db2.gz YTULNZKJABPJOK-KDURUIRLSA-N 2 0 388.512 0.271 20 0 GCADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000246231909 1186914537 /nfs/dbraw/zinc/91/45/37/1186914537.db2.gz UCUFGJCIKLUSQS-MBOZVWFJSA-N 2 0 394.560 0.935 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472298369 1186920371 /nfs/dbraw/zinc/92/03/71/1186920371.db2.gz WWYAUFJGDPTWHZ-GOSISDBHSA-N 2 0 390.532 0.558 20 0 GCADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000648178385 1186925450 /nfs/dbraw/zinc/92/54/50/1186925450.db2.gz YHGZHUVOBIQNPY-ROUUACIJSA-N 2 0 383.496 0.229 20 0 GCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000583834843 1186949893 /nfs/dbraw/zinc/94/98/93/1186949893.db2.gz CJRBAGXDGCDERQ-MSOLQXFVSA-N 2 0 380.533 0.469 20 0 GCADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000583834844 1186949932 /nfs/dbraw/zinc/94/99/32/1186949932.db2.gz CJRBAGXDGCDERQ-QZTJIDSGSA-N 2 0 380.533 0.469 20 0 GCADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000168400508 1186967639 /nfs/dbraw/zinc/96/76/39/1186967639.db2.gz OWDHKKANKMOAMM-IBGZPJMESA-N 2 0 388.512 0.897 20 0 GCADRP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000127191954 1186983650 /nfs/dbraw/zinc/98/36/50/1186983650.db2.gz GZPNYYDCJUQVTB-KRWDZBQOSA-N 2 0 395.573 0.853 20 0 GCADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000548817226 1186993916 /nfs/dbraw/zinc/99/39/16/1186993916.db2.gz ZXIWHQJNZCZOOV-LJQANCHMSA-N 2 0 391.560 0.382 20 0 GCADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C[C@H](C)O1 ZINC000584107294 1187000338 /nfs/dbraw/zinc/00/03/38/1187000338.db2.gz GSKJEFXXPNMWHW-DKKFBQAASA-N 2 0 392.544 0.545 20 0 GCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)CC[N@@H+]1C ZINC001719756543 1187011330 /nfs/dbraw/zinc/01/13/30/1187011330.db2.gz SNSKGKKLWGFFEN-BRSBDYLESA-N 2 0 382.549 0.506 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(COC)n1 ZINC000657835023 1187014861 /nfs/dbraw/zinc/01/48/61/1187014861.db2.gz NSTQKDKMHFHWTE-OAHLLOKOSA-N 2 0 392.504 0.436 20 0 GCADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000584207069 1187015271 /nfs/dbraw/zinc/01/52/71/1187015271.db2.gz XUBWKUBLWMGMKT-UHFFFAOYSA-N 2 0 399.561 0.881 20 0 GCADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000584217794 1187017087 /nfs/dbraw/zinc/01/70/87/1187017087.db2.gz JMSRVKHWHGMDKY-UHFFFAOYSA-N 2 0 382.549 0.748 20 0 GCADRP CC1(C)CC[C@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000892374152 1187017530 /nfs/dbraw/zinc/01/75/30/1187017530.db2.gz AWHGNKZNHXYVID-MSOLQXFVSA-N 2 0 381.565 0.860 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276384 1187017919 /nfs/dbraw/zinc/01/79/19/1187017919.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 2 0 391.560 0.355 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000584285758 1187026102 /nfs/dbraw/zinc/02/61/02/1187026102.db2.gz NWBYMWHDYKRSSW-GOSISDBHSA-N 2 0 382.549 0.781 20 0 GCADRP COC1CC[NH+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000079999122 1187027270 /nfs/dbraw/zinc/02/72/70/1187027270.db2.gz ILICOWPNIKEODL-UHFFFAOYSA-N 2 0 375.517 0.821 20 0 GCADRP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642943915 1187039470 /nfs/dbraw/zinc/03/94/70/1187039470.db2.gz UNAZNMODMWUBEB-OALUTQOASA-N 2 0 393.576 0.637 20 0 GCADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000420972840 1187040372 /nfs/dbraw/zinc/04/03/72/1187040372.db2.gz BJIXOWCAJBRBNS-SBHAEUEKSA-N 2 0 382.593 0.949 20 0 GCADRP C[N@H+](CCOc1cccc(C[NH2+]CCC(=O)NC(N)=O)c1)C1CCOCC1 ZINC000584405654 1187052517 /nfs/dbraw/zinc/05/25/17/1187052517.db2.gz TZKSGCAQMMRWHB-UHFFFAOYSA-N 2 0 378.473 0.851 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000584424701 1187057963 /nfs/dbraw/zinc/05/79/63/1187057963.db2.gz OKDZOLIHSZPYRT-GOSISDBHSA-N 2 0 395.592 0.613 20 0 GCADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000375748617 1187058833 /nfs/dbraw/zinc/05/88/33/1187058833.db2.gz IPLWKQYLPCLQHN-HZPDHXFCSA-N 2 0 390.532 1.325 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000685310523 1187069849 /nfs/dbraw/zinc/06/98/49/1187069849.db2.gz YXWVDLCPVLEBOB-YJBOKZPZSA-N 2 0 380.533 0.545 20 0 GCADRP CCN1C[C@@H](CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000650802682 1187079345 /nfs/dbraw/zinc/07/93/45/1187079345.db2.gz VCFHVRJPXORFCP-QGZVFWFLSA-N 2 0 388.516 0.761 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444833 1187129309 /nfs/dbraw/zinc/12/93/09/1187129309.db2.gz ZSOLLMSLKWNJHZ-MRXNPFEDSA-N 2 0 378.517 0.324 20 0 GCADRP [NH3+][C@H](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000892408505 1187175209 /nfs/dbraw/zinc/17/52/09/1187175209.db2.gz QUCQEHRVYKRQOA-RBUKOAKNSA-N 2 0 387.528 0.800 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)CC[N@@H+]1C ZINC001024134462 1187262630 /nfs/dbraw/zinc/26/26/30/1187262630.db2.gz BLCLGBXCZABXGO-YCEFEEMOSA-N 2 0 388.512 0.390 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)C2)CC1 ZINC000586850979 1187392478 /nfs/dbraw/zinc/39/24/78/1187392478.db2.gz FTCPGOKTQZIRNQ-AEFFLSMTSA-N 2 0 379.549 0.071 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000658732073 1187433687 /nfs/dbraw/zinc/43/36/87/1187433687.db2.gz XLRLHFDWKUUNMW-OALUTQOASA-N 2 0 391.560 0.312 20 0 GCADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000467164322 1187467170 /nfs/dbraw/zinc/46/71/70/1187467170.db2.gz GYKQSUIQPWNWGE-UHFFFAOYSA-N 2 0 386.500 0.804 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000612481831 1187504656 /nfs/dbraw/zinc/50/46/56/1187504656.db2.gz FWXGHMMLUYTXQW-ROUUACIJSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000612481827 1187504939 /nfs/dbraw/zinc/50/49/39/1187504939.db2.gz FWXGHMMLUYTXQW-MSOLQXFVSA-N 2 0 394.560 0.935 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000612486219 1187505316 /nfs/dbraw/zinc/50/53/16/1187505316.db2.gz QMBIORQYRXETJQ-MSOLQXFVSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000612484979 1187505463 /nfs/dbraw/zinc/50/54/63/1187505463.db2.gz JULIZUAPLNIAAF-RBUKOAKNSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000612486802 1187506312 /nfs/dbraw/zinc/50/63/12/1187506312.db2.gz RJFDYLSDHDLWSI-SFHVURJKSA-N 2 0 381.565 0.319 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000612544540 1187522332 /nfs/dbraw/zinc/52/23/32/1187522332.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 2 0 379.549 0.214 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000612595258 1187535562 /nfs/dbraw/zinc/53/55/62/1187535562.db2.gz FQQNYOQSSDUEHQ-IBGZPJMESA-N 2 0 392.544 0.833 20 0 GCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595262 1187535718 /nfs/dbraw/zinc/53/57/18/1187535718.db2.gz FRBMXDXDXPOAIF-QZTJIDSGSA-N 2 0 380.533 0.689 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597008 1187536371 /nfs/dbraw/zinc/53/63/71/1187536371.db2.gz ZLBVBFJXWLTSQU-WMZOPIPTSA-N 2 0 380.533 0.450 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612597722 1187537124 /nfs/dbraw/zinc/53/71/24/1187537124.db2.gz LGHSIWKPZGHECQ-GOSISDBHSA-N 2 0 382.549 0.936 20 0 GCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612590941 1187537387 /nfs/dbraw/zinc/53/73/87/1187537387.db2.gz GYAUWJFLXSVWRI-LJQANCHMSA-N 2 0 392.544 0.594 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000612599364 1187538535 /nfs/dbraw/zinc/53/85/35/1187538535.db2.gz UISQZKCHLFGPCH-OALUTQOASA-N 2 0 392.544 0.833 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000612599097 1187538612 /nfs/dbraw/zinc/53/86/12/1187538612.db2.gz OTOUSOGJKXUGCY-RTBURBONSA-N 2 0 392.544 0.833 20 0 GCADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612598105 1187538742 /nfs/dbraw/zinc/53/87/42/1187538742.db2.gz RAYRBATZTFBWRK-LJQANCHMSA-N 2 0 394.560 0.936 20 0 GCADRP CCc1nncn1CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000545261488 1187558730 /nfs/dbraw/zinc/55/87/30/1187558730.db2.gz XVSYJXCHXHWKJI-UHFFFAOYSA-N 2 0 386.504 0.747 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cn(CCC[NH3+])nn3)c2)C1 ZINC000570328867 1187574686 /nfs/dbraw/zinc/57/46/86/1187574686.db2.gz CYYCBNNENMADTC-QGZVFWFLSA-N 2 0 399.499 0.254 20 0 GCADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)O1 ZINC000570329142 1187574751 /nfs/dbraw/zinc/57/47/51/1187574751.db2.gz JQGUWJUYGNDINF-QRVBRYPASA-N 2 0 387.528 0.949 20 0 GCADRP CCn1nccc1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000612823180 1187598054 /nfs/dbraw/zinc/59/80/54/1187598054.db2.gz APTVIQBEUCZDRW-QGZVFWFLSA-N 2 0 376.505 0.146 20 0 GCADRP O=C(NCC1CC[NH2+]CC1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612911386 1187618006 /nfs/dbraw/zinc/61/80/06/1187618006.db2.gz JWKMGVSVHWGYLY-INIZCTEOSA-N 2 0 375.521 0.708 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924120 1187619384 /nfs/dbraw/zinc/61/93/84/1187619384.db2.gz NOQSQWYYTJSUFR-HOTGVXAUSA-N 2 0 391.520 0.087 20 0 GCADRP O=C(N[C@H]1CCC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612921373 1187620021 /nfs/dbraw/zinc/62/00/21/1187620021.db2.gz QYNYTHWYBCBZMC-CVEARBPZSA-N 2 0 375.521 0.850 20 0 GCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612923740 1187621255 /nfs/dbraw/zinc/62/12/55/1187621255.db2.gz KOAIGIULQKVXJB-PMPSAXMXSA-N 2 0 375.521 0.836 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000247023753 1187623571 /nfs/dbraw/zinc/62/35/71/1187623571.db2.gz QLAIGGZQIFHEGJ-QZTJIDSGSA-N 2 0 379.549 0.912 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC000431778804 1187706156 /nfs/dbraw/zinc/70/61/56/1187706156.db2.gz NMOZKICVERHVMC-ROUUACIJSA-N 2 0 397.564 0.777 20 0 GCADRP CC(C)(CO)[NH+]1CCN(c2ccnc(N3CC[NH+](C(C)(C)CO)CC3)n2)CC1 ZINC000892541690 1187739532 /nfs/dbraw/zinc/73/95/32/1187739532.db2.gz FGQWIAAISHVJJD-UHFFFAOYSA-N 2 0 392.548 0.262 20 0 GCADRP CO[C@@H]1CCOC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000892543401 1187742061 /nfs/dbraw/zinc/74/20/61/1187742061.db2.gz DQHAALIJKJQDDS-QZTJIDSGSA-N 2 0 377.489 0.697 20 0 GCADRP O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332818862 1187784518 /nfs/dbraw/zinc/78/45/18/1187784518.db2.gz WPAZZQXWGUWIPI-BZSNNMDCSA-N 2 0 378.517 0.443 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)CC2)C1 ZINC000658977845 1187829427 /nfs/dbraw/zinc/82/94/27/1187829427.db2.gz KQKUBECAQBLERY-RBUKOAKNSA-N 2 0 391.560 0.312 20 0 GCADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000659099346 1187878901 /nfs/dbraw/zinc/87/89/01/1187878901.db2.gz ZTSUYJKSYSXQAI-UHFFFAOYSA-N 2 0 377.489 0.213 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892651395 1187880180 /nfs/dbraw/zinc/88/01/80/1187880180.db2.gz YCHHLRCTUDKONL-SQNIBIBYSA-N 2 0 395.548 0.170 20 0 GCADRP CCCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@H]1CC[N@H+](C)C1 ZINC000647566783 1187893970 /nfs/dbraw/zinc/89/39/70/1187893970.db2.gz BTMGSQNESRAIEW-ZWKOTPCHSA-N 2 0 382.549 0.888 20 0 GCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000647595388 1187905365 /nfs/dbraw/zinc/90/53/65/1187905365.db2.gz CXPMJRLBKUDVHZ-HUUCEWRRSA-N 2 0 376.501 0.502 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc2)CC1 ZINC000647594895 1187906384 /nfs/dbraw/zinc/90/63/84/1187906384.db2.gz XVCOREHWJAVTTJ-DLBZAZTESA-N 2 0 389.544 0.682 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000659345083 1187945331 /nfs/dbraw/zinc/94/53/31/1187945331.db2.gz YNZPOWLQCRQITN-RBUKOAKNSA-N 2 0 393.576 0.556 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659456772 1187961237 /nfs/dbraw/zinc/96/12/37/1187961237.db2.gz SFEOXTMQCKFJNG-PMACEKPBSA-N 2 0 393.576 0.814 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659455814 1187961247 /nfs/dbraw/zinc/96/12/47/1187961247.db2.gz DOSKKIHKYNSGNT-WOJBJXKFSA-N 2 0 393.576 0.814 20 0 GCADRP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)C1 ZINC000659534511 1187967912 /nfs/dbraw/zinc/96/79/12/1187967912.db2.gz AHVXZSGCIIRURT-NQIIRXRSSA-N 2 0 391.560 0.169 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1F ZINC000659550669 1187970025 /nfs/dbraw/zinc/97/00/25/1187970025.db2.gz SLOYGIDOIMJUGV-ZOBUZTSGSA-N 2 0 380.464 0.958 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659581464 1187972843 /nfs/dbraw/zinc/97/28/43/1187972843.db2.gz MSTZTVZAUMLHQY-QYZOEREBSA-N 2 0 375.492 0.960 20 0 GCADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659608310 1187975940 /nfs/dbraw/zinc/97/59/40/1187975940.db2.gz MPPWWEPLDLHOBR-IAGOWNOFSA-N 2 0 381.521 0.269 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000659630579 1187978577 /nfs/dbraw/zinc/97/85/77/1187978577.db2.gz RNYFGJXWNIFUDR-UHFFFAOYSA-N 2 0 378.477 0.285 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659678980 1187992709 /nfs/dbraw/zinc/99/27/09/1187992709.db2.gz BJBVNDYAIRZTPP-LAVFITLUSA-N 2 0 380.533 0.456 20 0 GCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000659680131 1187993257 /nfs/dbraw/zinc/99/32/57/1187993257.db2.gz AGXIEIYEYYZTPU-UHFFFAOYSA-N 2 0 386.456 0.025 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659688206 1187998235 /nfs/dbraw/zinc/99/82/35/1187998235.db2.gz UYCSQMLOWJOMBW-QGZVFWFLSA-N 2 0 376.501 0.589 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659698500 1187999571 /nfs/dbraw/zinc/99/95/71/1187999571.db2.gz OPLXTLXKQSMDMG-KRWDZBQOSA-N 2 0 375.517 0.287 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659693017 1188000800 /nfs/dbraw/zinc/00/08/00/1188000800.db2.gz YJEIPTZSBJVVLF-UONOGXRCSA-N 2 0 379.480 0.479 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659693016 1188000902 /nfs/dbraw/zinc/00/09/02/1188000902.db2.gz YJEIPTZSBJVVLF-KGLIPLIRSA-N 2 0 379.480 0.479 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659693018 1188001106 /nfs/dbraw/zinc/00/11/06/1188001106.db2.gz YJEIPTZSBJVVLF-ZIAGYGMSSA-N 2 0 379.480 0.479 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)c2ccccc2)CC1 ZINC000659699233 1188003789 /nfs/dbraw/zinc/00/37/89/1188003789.db2.gz UOPMBHICDQBBIB-SFHVURJKSA-N 2 0 387.528 0.479 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000659703206 1188005694 /nfs/dbraw/zinc/00/56/94/1188005694.db2.gz XONRWHVCBQBFBI-UHFFFAOYSA-N 2 0 376.501 0.455 20 0 GCADRP O=C(NCC[NH2+]C1CCCCCC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659719323 1188007213 /nfs/dbraw/zinc/00/72/13/1188007213.db2.gz HBXZPIYRTAGYCH-SFHVURJKSA-N 2 0 380.533 0.785 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659727468 1188010603 /nfs/dbraw/zinc/01/06/03/1188010603.db2.gz GBVGWMCJZNDAGH-IBGZPJMESA-N 2 0 387.528 0.868 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)C[C@H]21 ZINC000659726934 1188014195 /nfs/dbraw/zinc/01/41/95/1188014195.db2.gz DDIUGAKOWSBUJV-VAMGGRTRSA-N 2 0 399.539 0.996 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000659729929 1188015511 /nfs/dbraw/zinc/01/55/11/1188015511.db2.gz QNSXWDNZNXMBEL-QFBILLFUSA-N 2 0 387.528 0.853 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000659756346 1188020756 /nfs/dbraw/zinc/02/07/56/1188020756.db2.gz QVCDRZNVLLODJM-SZMVWBNQSA-N 2 0 381.565 0.506 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000415307183 1188028395 /nfs/dbraw/zinc/02/83/95/1188028395.db2.gz XODKORNDGXBGMH-OAHLLOKOSA-N 2 0 389.500 0.596 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C2)CC[N@@H+]1C ZINC001025742984 1188031366 /nfs/dbraw/zinc/03/13/66/1188031366.db2.gz TZBAINTXWPOIES-UTRMSSBJSA-N 2 0 392.544 0.137 20 0 GCADRP CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)ccc1OC ZINC000415323039 1188037719 /nfs/dbraw/zinc/03/77/19/1188037719.db2.gz FUKHVIZNVLVXIV-HNNXBMFYSA-N 2 0 378.473 0.832 20 0 GCADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000415323283 1188038041 /nfs/dbraw/zinc/03/80/41/1188038041.db2.gz BATYPQSEBREJAN-AWEZNQCLSA-N 2 0 379.892 0.899 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415328620 1188039539 /nfs/dbraw/zinc/03/95/39/1188039539.db2.gz JKBHIHCSDYXEDN-GOSISDBHSA-N 2 0 387.528 0.878 20 0 GCADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000415328364 1188039607 /nfs/dbraw/zinc/03/96/07/1188039607.db2.gz LUEPTJAEPXKUMW-UHFFFAOYSA-N 2 0 387.528 0.878 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000472781562 1188048164 /nfs/dbraw/zinc/04/81/64/1188048164.db2.gz CGZVHNYKNLUNQT-ROUUACIJSA-N 2 0 396.580 0.254 20 0 GCADRP C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000415347059 1188055743 /nfs/dbraw/zinc/05/57/43/1188055743.db2.gz IMUVARPVHHSOML-SJLPKXTDSA-N 2 0 387.528 0.877 20 0 GCADRP C[C@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000415347058 1188056114 /nfs/dbraw/zinc/05/61/14/1188056114.db2.gz IMUVARPVHHSOML-FUHWJXTLSA-N 2 0 387.528 0.877 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580309381 1188056518 /nfs/dbraw/zinc/05/65/18/1188056518.db2.gz UMXGPZRUBKWWRW-KZNAEPCWSA-N 2 0 379.549 0.262 20 0 GCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415369952 1188063307 /nfs/dbraw/zinc/06/33/07/1188063307.db2.gz NCAQXNRTMGIJAD-INIZCTEOSA-N 2 0 389.500 0.309 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000415390629 1188069250 /nfs/dbraw/zinc/06/92/50/1188069250.db2.gz HSNOJJOPTSMDCF-KRWDZBQOSA-N 2 0 387.528 0.878 20 0 GCADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000415390937 1188069498 /nfs/dbraw/zinc/06/94/98/1188069498.db2.gz VKMAZEUQEGMMBP-INIZCTEOSA-N 2 0 387.528 0.958 20 0 GCADRP CCCN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000415393223 1188070958 /nfs/dbraw/zinc/07/09/58/1188070958.db2.gz OSWQKKSODHIGAE-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP CC[NH+]1CCN(c2nc(C(N)=O)cc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000892971332 1188080220 /nfs/dbraw/zinc/08/02/20/1188080220.db2.gz QJKMSIKBOBRXMV-CABCVRRESA-N 2 0 375.521 0.636 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000415447098 1188083734 /nfs/dbraw/zinc/08/37/34/1188083734.db2.gz WXRLJFZSFKEWSB-HNNXBMFYSA-N 2 0 389.500 0.517 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000415456811 1188085125 /nfs/dbraw/zinc/08/51/25/1188085125.db2.gz WYHDWTUJJDXOEK-FUHWJXTLSA-N 2 0 387.528 0.958 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415484412 1188089880 /nfs/dbraw/zinc/08/98/80/1188089880.db2.gz CBZBOBBLULXGQW-AWEZNQCLSA-N 2 0 389.456 0.305 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000415490327 1188091404 /nfs/dbraw/zinc/09/14/04/1188091404.db2.gz CFBFTDASLJGJLE-AWEZNQCLSA-N 2 0 391.472 0.728 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000415499072 1188092266 /nfs/dbraw/zinc/09/22/66/1188092266.db2.gz QXKJGDRJYLOSBM-MRXNPFEDSA-N 2 0 375.473 0.726 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893011707 1188099563 /nfs/dbraw/zinc/09/95/63/1188099563.db2.gz MDNYKOLEISAPDG-OTWHNJEPSA-N 2 0 380.533 0.870 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415542963 1188101206 /nfs/dbraw/zinc/10/12/06/1188101206.db2.gz WGNRTITXCHHCGH-UHFFFAOYSA-N 2 0 380.514 0.526 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[NH2+]CCOC)c2)CC1 ZINC000415539043 1188101245 /nfs/dbraw/zinc/10/12/45/1188101245.db2.gz LDAXKIUHHJFSIE-UHFFFAOYSA-N 2 0 377.489 0.119 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021058 1188103511 /nfs/dbraw/zinc/10/35/11/1188103511.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 2 0 379.549 0.396 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)cc2)CC1 ZINC000415556520 1188106623 /nfs/dbraw/zinc/10/66/23/1188106623.db2.gz CTVYNULDBIKSGG-DLBZAZTESA-N 2 0 387.528 0.971 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000415562990 1188107227 /nfs/dbraw/zinc/10/72/27/1188107227.db2.gz APQBQVNLCYGKFB-NRFANRHFSA-N 2 0 387.528 0.878 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000415574215 1188109937 /nfs/dbraw/zinc/10/99/37/1188109937.db2.gz CZZYAOZJBXNHNL-SXLOBPIMSA-N 2 0 399.539 0.958 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000415586986 1188114601 /nfs/dbraw/zinc/11/46/01/1188114601.db2.gz DJQTUOITUIXCLE-QFIPXVFZSA-N 2 0 399.539 0.975 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000377733592 1188123234 /nfs/dbraw/zinc/12/32/34/1188123234.db2.gz BIKXGPSJRBJCPE-MOPGFXCFSA-N 2 0 379.549 0.663 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000377734768 1188125811 /nfs/dbraw/zinc/12/58/11/1188125811.db2.gz OZZOUPWPTPKDPF-SFHVURJKSA-N 2 0 381.565 0.909 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)n1 ZINC000415654886 1188133690 /nfs/dbraw/zinc/13/36/90/1188133690.db2.gz JUBCZJBOLJROTK-SFHVURJKSA-N 2 0 394.479 1.353 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000415658983 1188134331 /nfs/dbraw/zinc/13/43/31/1188134331.db2.gz RIUHQJZWADWJTD-AWEZNQCLSA-N 2 0 375.473 0.903 20 0 GCADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1)C1CC1 ZINC000415704984 1188147317 /nfs/dbraw/zinc/14/73/17/1188147317.db2.gz HELWUYWFAHKOCD-HXUWFJFHSA-N 2 0 399.539 0.768 20 0 GCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000415725095 1188149933 /nfs/dbraw/zinc/14/99/33/1188149933.db2.gz MBCJCKAWPLSNMN-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415719237 1188151245 /nfs/dbraw/zinc/15/12/45/1188151245.db2.gz CDTRCTLGOOUAPG-HXUWFJFHSA-N 2 0 399.539 0.770 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415751287 1188155513 /nfs/dbraw/zinc/15/55/13/1188155513.db2.gz VXIICMCCAQBOPC-SJORKVTESA-N 2 0 385.512 0.835 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000415747379 1188156905 /nfs/dbraw/zinc/15/69/05/1188156905.db2.gz OPOKAYKTSYGXDB-MOPGFXCFSA-N 2 0 399.539 0.831 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1 ZINC000415817319 1189371425 /nfs/dbraw/zinc/37/14/25/1189371425.db2.gz VBJGFWFJSJXNOI-UHFFFAOYSA-N 2 0 375.473 0.854 20 0 GCADRP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)ccc2oc1=O ZINC000415823180 1189373390 /nfs/dbraw/zinc/37/33/90/1189373390.db2.gz OWTXVDJNJLQCBJ-UHFFFAOYSA-N 2 0 389.456 0.305 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472915279 1189384107 /nfs/dbraw/zinc/38/41/07/1189384107.db2.gz RKLUVWSTIMBZMB-MSOLQXFVSA-N 2 0 381.565 0.813 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000415873415 1189391401 /nfs/dbraw/zinc/39/14/01/1189391401.db2.gz UULPVWACVOMJOZ-IAGOWNOFSA-N 2 0 385.512 0.835 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415968191 1189410787 /nfs/dbraw/zinc/41/07/87/1189410787.db2.gz XMHSVWXAUDOZDP-MAUKXSAKSA-N 2 0 388.516 0.962 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1-n1ccc(CC[NH3+])n1 ZINC001167727751 1189419554 /nfs/dbraw/zinc/41/95/54/1189419554.db2.gz BWFNJAJFSLNPIY-CQSZACIVSA-N 2 0 375.473 0.874 20 0 GCADRP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041720803 1189457862 /nfs/dbraw/zinc/45/78/62/1189457862.db2.gz BEHYIUXETMHTSR-UHFFFAOYSA-N 2 0 375.517 0.831 20 0 GCADRP CC(C)O[C@]1(CS(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CCOC1 ZINC000659951907 1189483129 /nfs/dbraw/zinc/48/31/29/1189483129.db2.gz OYWXUFLNOUTWDD-GOSISDBHSA-N 2 0 391.578 0.858 20 0 GCADRP C[C@@H]1CC(=O)C[C@H](C(=O)NCC2([NH+](C)C)CC2)[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416309246 1189486992 /nfs/dbraw/zinc/48/69/92/1189486992.db2.gz VBPSHVWSCOSPDI-PVAVHDDUSA-N 2 0 392.544 0.639 20 0 GCADRP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000363809500 1189494689 /nfs/dbraw/zinc/49/46/89/1189494689.db2.gz BOKGVUUJMQMNAX-LJQANCHMSA-N 2 0 381.565 0.907 20 0 GCADRP CCCNC(=O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522725682 1189502196 /nfs/dbraw/zinc/50/21/96/1189502196.db2.gz AJWBTMKGRIJNRI-UHFFFAOYSA-N 2 0 376.505 0.809 20 0 GCADRP C[C@H](O)C[NH+]1CCN(c2nccc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893258904 1189549730 /nfs/dbraw/zinc/54/97/30/1189549730.db2.gz MCTZQDVNTOGFTO-MHORFTMASA-N 2 0 392.548 0.259 20 0 GCADRP CNS(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000660057857 1189560819 /nfs/dbraw/zinc/56/08/19/1189560819.db2.gz SGVKSOXUJFRFNY-UHFFFAOYSA-N 2 0 382.530 0.485 20 0 GCADRP COc1ccc([C@@H](CNC(=O)NCCCN2CC[NH2+]CC2)[NH+](C)C)cc1OC ZINC000416812241 1189585672 /nfs/dbraw/zinc/58/56/72/1189585672.db2.gz DMCLAEPZNCAEGG-QGZVFWFLSA-N 2 0 393.532 0.901 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000416836179 1189587236 /nfs/dbraw/zinc/58/72/36/1189587236.db2.gz GJYXELHADORIKT-IBGZPJMESA-N 2 0 375.517 0.482 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000584585972 1189598640 /nfs/dbraw/zinc/59/86/40/1189598640.db2.gz FXBCKLVNTXMHFA-NVXWUHKLSA-N 2 0 375.473 0.090 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417016178 1189607659 /nfs/dbraw/zinc/60/76/59/1189607659.db2.gz HYYKJPFFACNUJF-LJQANCHMSA-N 2 0 375.517 0.482 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015987 1189608156 /nfs/dbraw/zinc/60/81/56/1189608156.db2.gz HUFRISQLJBBFQV-RBUKOAKNSA-N 2 0 375.517 0.734 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCO1 ZINC000417024393 1189608757 /nfs/dbraw/zinc/60/87/57/1189608757.db2.gz QAAKBLFYRGMQCZ-IBGZPJMESA-N 2 0 375.517 0.958 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000417028684 1189609979 /nfs/dbraw/zinc/60/99/79/1189609979.db2.gz UWZJYQNSSHSWIO-IBGZPJMESA-N 2 0 375.517 0.563 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000417158756 1189625977 /nfs/dbraw/zinc/62/59/77/1189625977.db2.gz OFQKCRZHKGWDGH-FQEVSTJZSA-N 2 0 389.544 0.954 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915900 1189649790 /nfs/dbraw/zinc/64/97/90/1189649790.db2.gz MCQKAKSOLQYHLZ-ARFHVFGLSA-N 2 0 375.521 0.849 20 0 GCADRP CO[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C[NH3+])C1 ZINC000417371541 1189654802 /nfs/dbraw/zinc/65/48/02/1189654802.db2.gz WKCOOOHSQIDJLE-OALUTQOASA-N 3 0 390.532 0.741 20 0 GCADRP COCC1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000417419357 1189660297 /nfs/dbraw/zinc/66/02/97/1189660297.db2.gz CUODTLJSWKABAM-INIZCTEOSA-N 2 0 383.537 0.245 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417435348 1189661698 /nfs/dbraw/zinc/66/16/98/1189661698.db2.gz YGDSPIUZKNUFKU-KURKYZTESA-N 2 0 379.549 0.960 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417429266 1189662747 /nfs/dbraw/zinc/66/27/47/1189662747.db2.gz MSRUIIVKBYJUPB-MSOLQXFVSA-N 2 0 379.549 0.960 20 0 GCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC[C@@H]21 ZINC000584825491 1189683103 /nfs/dbraw/zinc/68/31/03/1189683103.db2.gz AXDRPHZHRDKRSS-OALUTQOASA-N 2 0 392.544 0.500 20 0 GCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000584852703 1189691472 /nfs/dbraw/zinc/69/14/72/1189691472.db2.gz CPHKIAYILILGID-MRXNPFEDSA-N 2 0 388.516 0.002 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H]1C ZINC000660257036 1189694519 /nfs/dbraw/zinc/69/45/19/1189694519.db2.gz FSDGXUGFXZXDFA-QYZOEREBSA-N 2 0 393.576 0.556 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@H](C)C1 ZINC000417669474 1189694541 /nfs/dbraw/zinc/69/45/41/1189694541.db2.gz LIGMWOGFAWYGBJ-SQNIBIBYSA-N 2 0 397.564 0.620 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417705521 1189698196 /nfs/dbraw/zinc/69/81/96/1189698196.db2.gz MBELAKOYEYYTKZ-SUMDDJOVSA-N 2 0 377.533 0.949 20 0 GCADRP C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000417758048 1189702709 /nfs/dbraw/zinc/70/27/09/1189702709.db2.gz UOMUNHWRECFZSL-LSDHHAIUSA-N 2 0 394.486 0.005 20 0 GCADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)CCC(F)(F)F ZINC000418081608 1189721071 /nfs/dbraw/zinc/72/10/71/1189721071.db2.gz VQQINRVBBDPVOS-CYBMUJFWSA-N 2 0 381.443 0.757 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCO1 ZINC000418119211 1189725534 /nfs/dbraw/zinc/72/55/34/1189725534.db2.gz UOPDWRVDUAYLMC-QZTJIDSGSA-N 2 0 395.548 0.341 20 0 GCADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000418193053 1189734439 /nfs/dbraw/zinc/73/44/39/1189734439.db2.gz NDTVMUMSGKTXBF-GOSISDBHSA-N 2 0 390.532 0.601 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418300196 1189752638 /nfs/dbraw/zinc/75/26/38/1189752638.db2.gz PNPAYFKZILMQDQ-UHFFFAOYSA-N 2 0 381.565 0.816 20 0 GCADRP COCC[NH2+]CCNC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418513710 1189810065 /nfs/dbraw/zinc/81/00/65/1189810065.db2.gz VPTKIXJJJLEUSO-FQEVSTJZSA-N 2 0 389.544 0.824 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418531230 1189817944 /nfs/dbraw/zinc/81/79/44/1189817944.db2.gz BDRAKHRIHZJPPE-GHTZIAJQSA-N 2 0 389.544 0.964 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000500427800 1189827472 /nfs/dbraw/zinc/82/74/72/1189827472.db2.gz SGTCJZULKSOXPE-UHFFFAOYSA-N 2 0 393.576 0.463 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000660532387 1189892051 /nfs/dbraw/zinc/89/20/51/1189892051.db2.gz HVPBNSWKSOKIHC-RCCFBDPRSA-N 2 0 378.517 0.110 20 0 GCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000660542649 1189895970 /nfs/dbraw/zinc/89/59/70/1189895970.db2.gz AQRVBYZBDJAJME-MOPGFXCFSA-N 2 0 392.544 0.500 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660627494 1189917870 /nfs/dbraw/zinc/91/78/70/1189917870.db2.gz ZGGMRLJABUTGHJ-IBGZPJMESA-N 2 0 393.576 0.559 20 0 GCADRP Cc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000636662426 1189955492 /nfs/dbraw/zinc/95/54/92/1189955492.db2.gz IRSIAKYTLXDSRN-UHFFFAOYSA-N 2 0 385.468 0.928 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660852695 1189957585 /nfs/dbraw/zinc/95/75/85/1189957585.db2.gz FVALSLIGIHJREH-MSOLQXFVSA-N 2 0 395.548 0.482 20 0 GCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864877 1189959211 /nfs/dbraw/zinc/95/92/11/1189959211.db2.gz PWLHMVODDHNXQC-RTBURBONSA-N 2 0 381.565 0.813 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662714773 1190002599 /nfs/dbraw/zinc/00/25/99/1190002599.db2.gz BEFPQCJQZUZMAV-INIZCTEOSA-N 2 0 391.520 0.219 20 0 GCADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000662731378 1190011248 /nfs/dbraw/zinc/01/12/48/1190011248.db2.gz DHEBAEWJVIFNRC-KRWDZBQOSA-N 2 0 376.505 0.777 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cn1 ZINC000662747322 1190016156 /nfs/dbraw/zinc/01/61/56/1190016156.db2.gz ZZVSINWLMUAEJO-AWEZNQCLSA-N 2 0 376.383 0.041 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)cn2)CC1 ZINC000662759435 1190021038 /nfs/dbraw/zinc/02/10/38/1190021038.db2.gz WPDGRXCOVNJYEK-QGZVFWFLSA-N 2 0 398.515 0.670 20 0 GCADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000661311499 1190029062 /nfs/dbraw/zinc/02/90/62/1190029062.db2.gz KMBADPWMPGUFLC-QGZVFWFLSA-N 2 0 381.565 0.955 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[C@H]2C1 ZINC000661403651 1190043258 /nfs/dbraw/zinc/04/32/58/1190043258.db2.gz YAIQTOPSSKTITP-MSOLQXFVSA-N 2 0 378.517 0.110 20 0 GCADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000662865736 1190060805 /nfs/dbraw/zinc/06/08/05/1190060805.db2.gz DLXKDQCPWBORQE-HDMKZQKVSA-N 2 0 394.466 0.937 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000411016362 1193720783 /nfs/dbraw/zinc/72/07/83/1193720783.db2.gz ANUIEZGIYLYSQF-ROUUACIJSA-N 2 0 382.549 0.887 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000411019798 1193721561 /nfs/dbraw/zinc/72/15/61/1193721561.db2.gz FVFPIFVECVVNBR-MSOLQXFVSA-N 2 0 380.533 0.498 20 0 GCADRP C[C@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000512670990 1193731010 /nfs/dbraw/zinc/73/10/10/1193731010.db2.gz CLIFVFFKPCUUEX-RTBURBONSA-N 2 0 383.581 0.796 20 0 GCADRP C[C@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000512670989 1193731027 /nfs/dbraw/zinc/73/10/27/1193731027.db2.gz CLIFVFFKPCUUEX-RBUKOAKNSA-N 2 0 383.581 0.796 20 0 GCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512676258 1193731847 /nfs/dbraw/zinc/73/18/47/1193731847.db2.gz BLPICGWGVFJQKI-OALUTQOASA-N 2 0 383.581 0.796 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419233972 1193744954 /nfs/dbraw/zinc/74/49/54/1193744954.db2.gz XAHLQPOYMJKDOM-MJGOQNOKSA-N 2 0 387.528 0.035 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419236021 1193750006 /nfs/dbraw/zinc/75/00/06/1193750006.db2.gz ZWMVLGNJEFTEMD-HZPDHXFCSA-N 2 0 376.501 0.039 20 0 GCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000433124590 1193754334 /nfs/dbraw/zinc/75/43/34/1193754334.db2.gz DQGKEBASSGVFBW-UHFFFAOYSA-N 2 0 395.529 0.118 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000419249453 1193763214 /nfs/dbraw/zinc/76/32/14/1193763214.db2.gz ZAFAAEDHICWQOE-ROUUACIJSA-N 2 0 388.512 0.857 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433144341 1193763563 /nfs/dbraw/zinc/76/35/63/1193763563.db2.gz BROLJHSQUQIKEB-UHFFFAOYSA-N 3 0 389.544 0.798 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1F ZINC000411480792 1193765742 /nfs/dbraw/zinc/76/57/42/1193765742.db2.gz WQFIAWBJMPHIAJ-OKILXGFUSA-N 2 0 378.448 0.725 20 0 GCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957588 1193772492 /nfs/dbraw/zinc/77/24/92/1193772492.db2.gz GIJLDVDXCYOEHI-SFHVURJKSA-N 2 0 381.517 0.975 20 0 GCADRP CCCN(C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000419273212 1193780012 /nfs/dbraw/zinc/78/00/12/1193780012.db2.gz WPEZYCHULDFVQW-IBGZPJMESA-N 2 0 388.512 0.736 20 0 GCADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419286577 1193785528 /nfs/dbraw/zinc/78/55/28/1193785528.db2.gz QUHVOVFCDQICRK-HNNXBMFYSA-N 2 0 393.507 0.823 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419287544 1193787853 /nfs/dbraw/zinc/78/78/53/1193787853.db2.gz ROPUKMBSZSKZAQ-HUUCEWRRSA-N 2 0 393.507 0.869 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419291347 1193788676 /nfs/dbraw/zinc/78/86/76/1193788676.db2.gz WPHDJQZFUHOKKQ-WMLDXEAASA-N 2 0 393.507 0.854 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)CC1 ZINC000419293334 1193789938 /nfs/dbraw/zinc/78/99/38/1193789938.db2.gz ZIHVPFOWMGOPBS-LJQANCHMSA-N 2 0 393.576 0.685 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419299662 1193792531 /nfs/dbraw/zinc/79/25/31/1193792531.db2.gz KGCPSCPJAPNHQW-AWEZNQCLSA-N 2 0 379.480 0.480 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419297535 1193793309 /nfs/dbraw/zinc/79/33/09/1193793309.db2.gz GNCBQLRHRCQFTO-OAHLLOKOSA-N 2 0 393.507 0.871 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419302774 1193796040 /nfs/dbraw/zinc/79/60/40/1193796040.db2.gz QMTSCYJRGSJHMQ-GOEBONIOSA-N 2 0 391.491 0.704 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000419305378 1193797192 /nfs/dbraw/zinc/79/71/92/1193797192.db2.gz WRUBKGAFAFXAID-OAHLLOKOSA-N 2 0 393.507 0.871 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419305340 1193797208 /nfs/dbraw/zinc/79/72/08/1193797208.db2.gz WMLJEXLGIUDXLD-LSDHHAIUSA-N 2 0 391.491 0.575 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419306215 1193797976 /nfs/dbraw/zinc/79/79/76/1193797976.db2.gz XVIMDSGOIKKCPE-ZIAGYGMSSA-N 2 0 379.480 0.608 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000419305028 1193799192 /nfs/dbraw/zinc/79/91/92/1193799192.db2.gz VVNQUWSKOYRDON-ZBFHGGJFSA-N 2 0 391.491 0.575 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000576182575 1193801305 /nfs/dbraw/zinc/80/13/05/1193801305.db2.gz OESZPGISVGVVJH-KRWDZBQOSA-N 2 0 381.565 0.509 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324809 1193807337 /nfs/dbraw/zinc/80/73/37/1193807337.db2.gz CPRJCXMATSXKQZ-ROUUACIJSA-N 2 0 397.564 0.729 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc2)CC1 ZINC000419331283 1193824364 /nfs/dbraw/zinc/82/43/64/1193824364.db2.gz GVLLKSVWIKIMMO-QGZVFWFLSA-N 2 0 389.544 0.412 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000419336420 1193830270 /nfs/dbraw/zinc/83/02/70/1193830270.db2.gz KHXYJCJUFRVSTA-LJQANCHMSA-N 2 0 387.528 0.294 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419344014 1193836379 /nfs/dbraw/zinc/83/63/79/1193836379.db2.gz RLZJSUBEGXDYEP-UHFFFAOYSA-N 2 0 375.517 0.294 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000419346086 1193841791 /nfs/dbraw/zinc/84/17/91/1193841791.db2.gz UVCJULOLCFIYCS-LJQANCHMSA-N 2 0 387.528 0.248 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000419350834 1193846620 /nfs/dbraw/zinc/84/66/20/1193846620.db2.gz ZUIJULSYLFAOBH-QGZVFWFLSA-N 2 0 389.544 0.555 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419372982 1193876343 /nfs/dbraw/zinc/87/63/43/1193876343.db2.gz NHUDTXSTVLTFCS-RTBURBONSA-N 2 0 390.528 0.632 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000571455321 1193876971 /nfs/dbraw/zinc/87/69/71/1193876971.db2.gz PYDYLBJRZQDHDB-ROUUACIJSA-N 2 0 382.549 0.794 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419380862 1193880713 /nfs/dbraw/zinc/88/07/13/1193880713.db2.gz XWOSVIFFNNGFAC-QZTJIDSGSA-N 2 0 376.501 0.242 20 0 GCADRP [NH3+]CCCCn1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)nn1 ZINC000576461922 1193887421 /nfs/dbraw/zinc/88/74/21/1193887421.db2.gz OCXCREYPKUNHDM-UHFFFAOYSA-N 2 0 386.500 0.904 20 0 GCADRP CN1CCO[C@@H]([C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c2ccc(Cl)cc2)C1 ZINC000419386823 1193895721 /nfs/dbraw/zinc/89/57/21/1193895721.db2.gz IYLUENHNFZWDCO-HUUCEWRRSA-N 2 0 382.892 0.681 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC[NH2+]1 ZINC000419388976 1193900457 /nfs/dbraw/zinc/90/04/57/1193900457.db2.gz KUYIPRSWESLTEI-XOKHGSTOSA-N 2 0 394.903 0.648 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCNC[C@@H]2c2nccn2C)CC1=O ZINC000261670000 1193922890 /nfs/dbraw/zinc/92/28/90/1193922890.db2.gz GIABROIVONWCCN-GVDBMIGSSA-N 2 0 388.516 0.226 20 0 GCADRP COc1cccc([C@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)N(C)C)c1 ZINC000262318332 1193944988 /nfs/dbraw/zinc/94/49/88/1193944988.db2.gz CNFZTPGKJZPPEV-INIZCTEOSA-N 2 0 383.514 0.581 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000664175856 1193948299 /nfs/dbraw/zinc/94/82/99/1193948299.db2.gz ROGWFODOZNOMGD-MSOLQXFVSA-N 2 0 395.548 0.470 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C2)CC1 ZINC000513457196 1193953130 /nfs/dbraw/zinc/95/31/30/1193953130.db2.gz IGMVIBMPOACLSE-IAGOWNOFSA-N 2 0 381.565 0.317 20 0 GCADRP C[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)C[NH+](C)C ZINC000513469549 1193954593 /nfs/dbraw/zinc/95/45/93/1193954593.db2.gz QGPHFLZHJWVMHA-SZMVWBNQSA-N 2 0 396.576 0.963 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000513491755 1193956245 /nfs/dbraw/zinc/95/62/45/1193956245.db2.gz JHFPBTBMOWQALY-CVEARBPZSA-N 2 0 382.549 0.791 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000513491758 1193956264 /nfs/dbraw/zinc/95/62/64/1193956264.db2.gz JHFPBTBMOWQALY-JKSUJKDBSA-N 2 0 382.549 0.791 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513486314 1193956756 /nfs/dbraw/zinc/95/67/56/1193956756.db2.gz VQFWURKDTREDAC-IRXDYDNUSA-N 2 0 395.592 0.706 20 0 GCADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000262949278 1193958839 /nfs/dbraw/zinc/95/88/39/1193958839.db2.gz BKXGCIRSHTUWTH-IBGZPJMESA-N 2 0 375.517 0.646 20 0 GCADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccnc(N2C[C@H](C)[NH+](CCO)C[C@@H]2C)n1 ZINC000894234100 1193968506 /nfs/dbraw/zinc/96/85/06/1193968506.db2.gz RWOBENAUYLGVJW-XDNAFOTISA-N 2 0 392.548 0.259 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261807121 1194010671 /nfs/dbraw/zinc/01/06/71/1194010671.db2.gz JGMJRPRGXBFMIN-PKOBYXMFSA-N 3 0 393.576 0.556 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419404912 1194020968 /nfs/dbraw/zinc/02/09/68/1194020968.db2.gz UHLQJCCVOIITGN-MJGOQNOKSA-N 2 0 387.528 0.035 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000419406811 1194021476 /nfs/dbraw/zinc/02/14/76/1194021476.db2.gz JIDFFAXYQRAZFQ-RCBQFDQVSA-N 2 0 380.464 0.774 20 0 GCADRP CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000419419550 1194022682 /nfs/dbraw/zinc/02/26/82/1194022682.db2.gz MDAMKWDHNFUWIO-UHFFFAOYSA-N 2 0 387.528 0.525 20 0 GCADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419420250 1194023444 /nfs/dbraw/zinc/02/34/44/1194023444.db2.gz MTHUYODWNYRDFJ-IBGZPJMESA-N 2 0 387.528 0.118 20 0 GCADRP [NH3+][C@@H](CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419421709 1194023453 /nfs/dbraw/zinc/02/34/53/1194023453.db2.gz PJHFHZKUMNLVPR-IBGZPJMESA-N 2 0 387.528 0.164 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420919 1194024084 /nfs/dbraw/zinc/02/40/84/1194024084.db2.gz NYRBVUNNVJNKIJ-MOPGFXCFSA-N 2 0 387.528 0.350 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424738 1194025457 /nfs/dbraw/zinc/02/54/57/1194025457.db2.gz ULIYLQRPFATYMW-SJLPKXTDSA-N 2 0 375.517 0.335 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419426879 1194026597 /nfs/dbraw/zinc/02/65/97/1194026597.db2.gz YFPDXGNSJBNSDI-RTBURBONSA-N 2 0 399.539 0.383 20 0 GCADRP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409194 1194028733 /nfs/dbraw/zinc/02/87/33/1194028733.db2.gz DUCOGKQXQVPIIQ-CEXWTWQISA-N 2 0 388.512 0.732 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000419410396 1194028834 /nfs/dbraw/zinc/02/88/34/1194028834.db2.gz AJBXMSIGFVUDES-QZTJIDSGSA-N 2 0 387.528 0.524 20 0 GCADRP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419409574 1194029013 /nfs/dbraw/zinc/02/90/13/1194029013.db2.gz FIHHJDFJJPHHHM-QYZOEREBSA-N 2 0 388.512 0.603 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000419411214 1194029438 /nfs/dbraw/zinc/02/94/38/1194029438.db2.gz BFISTCOIYCJCAP-GUDVDZBRSA-N 2 0 388.512 0.904 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000419411218 1194029850 /nfs/dbraw/zinc/02/98/50/1194029850.db2.gz BFISTCOIYCJCAP-OTWHNJEPSA-N 2 0 388.512 0.904 20 0 GCADRP CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419415878 1194031225 /nfs/dbraw/zinc/03/12/25/1194031225.db2.gz NZOSDEIUDNQLMS-IPMKNSEASA-N 2 0 388.512 0.636 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)N2CCC([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000419415282 1194031404 /nfs/dbraw/zinc/03/14/04/1194031404.db2.gz HQCUEXAOKKAUKD-IBGZPJMESA-N 2 0 387.528 0.431 20 0 GCADRP CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419415874 1194031814 /nfs/dbraw/zinc/03/18/14/1194031814.db2.gz NZOSDEIUDNQLMS-FHWLQOOXSA-N 2 0 388.512 0.636 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419453225 1194037564 /nfs/dbraw/zinc/03/75/64/1194037564.db2.gz REOXNOVILRBNOL-DOTOQJQBSA-N 2 0 380.464 0.163 20 0 GCADRP C[C@H]1C[C@H](CCNC(=O)C(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000419481299 1194041353 /nfs/dbraw/zinc/04/13/53/1194041353.db2.gz WQLXWJHMIACIQG-WMZOPIPTSA-N 2 0 376.501 0.183 20 0 GCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000419468076 1194043436 /nfs/dbraw/zinc/04/34/36/1194043436.db2.gz AQFYSPXTAKRAER-QRQLOZEOSA-N 2 0 388.512 0.508 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419532454 1194050102 /nfs/dbraw/zinc/05/01/02/1194050102.db2.gz MTTNGCSPCVJYCL-AHCXZYCDSA-N 2 0 388.512 0.852 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419532457 1194050269 /nfs/dbraw/zinc/05/02/69/1194050269.db2.gz MTTNGCSPCVJYCL-LMSBXDPUSA-N 2 0 388.512 0.852 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419511273 1194051302 /nfs/dbraw/zinc/05/13/02/1194051302.db2.gz ICTUWDALJCDZFD-GOSISDBHSA-N 2 0 389.544 0.738 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1 ZINC000419514959 1194051835 /nfs/dbraw/zinc/05/18/35/1194051835.db2.gz QCKNTPYZXMJALX-QGZVFWFLSA-N 2 0 375.517 0.477 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000419536747 1194055040 /nfs/dbraw/zinc/05/50/40/1194055040.db2.gz MLYLYOZQYHEHTA-QZTJIDSGSA-N 2 0 376.501 0.633 20 0 GCADRP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C(=O)NCC[NH3+])cc2)C[C@@H]1C ZINC000419583381 1194059152 /nfs/dbraw/zinc/05/91/52/1194059152.db2.gz DCAWVJMIGPBLRM-HOTGVXAUSA-N 2 0 376.501 0.387 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCSC1 ZINC000419577731 1194059847 /nfs/dbraw/zinc/05/98/47/1194059847.db2.gz DWGLSLQSTUFILU-BXWFABGCSA-N 2 0 398.573 0.285 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419584384 1194065094 /nfs/dbraw/zinc/06/50/94/1194065094.db2.gz ATMHDASNQPZPOF-JKSUJKDBSA-N 2 0 388.512 0.468 20 0 GCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000419606657 1194065392 /nfs/dbraw/zinc/06/53/92/1194065392.db2.gz VDROJGXWIOSJHP-SFHVURJKSA-N 2 0 390.528 0.749 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000419585578 1194065917 /nfs/dbraw/zinc/06/59/17/1194065917.db2.gz GDMYHVBEFLHKOO-YESZJQIVSA-N 2 0 390.528 0.775 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCSC1 ZINC000419592823 1194067260 /nfs/dbraw/zinc/06/72/60/1194067260.db2.gz XIPJOEQOTSLICE-FCEWJHQRSA-N 2 0 382.574 0.921 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419594719 1194067749 /nfs/dbraw/zinc/06/77/49/1194067749.db2.gz UYPWPQDQIQHJJZ-KZNAEPCWSA-N 2 0 380.533 0.722 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419596025 1194068114 /nfs/dbraw/zinc/06/81/14/1194068114.db2.gz XKMWBJGADKRYNQ-KZNAEPCWSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000419654465 1194074015 /nfs/dbraw/zinc/07/40/15/1194074015.db2.gz GMRLATUUGXVSRF-CRAIPNDOSA-N 2 0 376.501 0.481 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000419657810 1194074516 /nfs/dbraw/zinc/07/45/16/1194074516.db2.gz KFYLRPZDWVRTQO-FUHWJXTLSA-N 2 0 390.528 0.729 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419649498 1194076857 /nfs/dbraw/zinc/07/68/57/1194076857.db2.gz BWMABNBTDKYCPH-DOTOQJQBSA-N 2 0 376.501 0.481 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000419650146 1194077045 /nfs/dbraw/zinc/07/70/45/1194077045.db2.gz CEUZKPQBBMGQLL-CVEARBPZSA-N 2 0 376.501 0.495 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419650164 1194077185 /nfs/dbraw/zinc/07/71/85/1194077185.db2.gz CEUZKPQBBMGQLL-JKSUJKDBSA-N 2 0 376.501 0.495 20 0 GCADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000419663870 1194077513 /nfs/dbraw/zinc/07/75/13/1194077513.db2.gz KYECBSFZHXLKSI-KRWDZBQOSA-N 2 0 393.536 0.525 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000419663150 1194077586 /nfs/dbraw/zinc/07/75/86/1194077586.db2.gz PPBCSSZOJLUZTI-IEBWSBKVSA-N 2 0 390.528 0.919 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000419666698 1194078339 /nfs/dbraw/zinc/07/83/39/1194078339.db2.gz WHCMEDBMOJVAIS-MAUKXSAKSA-N 2 0 376.501 0.829 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000419667838 1194078993 /nfs/dbraw/zinc/07/89/93/1194078993.db2.gz SUVIKVOKNUALKP-ROUUACIJSA-N 2 0 394.560 0.970 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000419676757 1194079904 /nfs/dbraw/zinc/07/99/04/1194079904.db2.gz BSQCCRXNFCPINW-HZPDHXFCSA-N 2 0 382.574 0.969 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419708198 1194083559 /nfs/dbraw/zinc/08/35/59/1194083559.db2.gz GYKWOPSPSSYJEX-PBHICJAKSA-N 2 0 376.501 0.636 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCO1 ZINC000419690013 1194085693 /nfs/dbraw/zinc/08/56/93/1194085693.db2.gz JZQIRALQJMXKDP-HNNXBMFYSA-N 2 0 384.546 0.040 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000419695110 1194086982 /nfs/dbraw/zinc/08/69/82/1194086982.db2.gz RINYSIWFZWRIRT-JKSUJKDBSA-N 2 0 398.573 0.429 20 0 GCADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419698401 1194087670 /nfs/dbraw/zinc/08/76/70/1194087670.db2.gz ZGERZMBSPDINFU-IXDOHACOSA-N 2 0 394.585 0.969 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000419735400 1194087923 /nfs/dbraw/zinc/08/79/23/1194087923.db2.gz QHFZCNLKRQAUKZ-GUDVDZBRSA-N 2 0 392.544 0.864 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000419725639 1194088249 /nfs/dbraw/zinc/08/82/49/1194088249.db2.gz SQQJGPYXHXUDKB-YJBOKZPZSA-N 2 0 388.512 0.996 20 0 GCADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419741682 1194094790 /nfs/dbraw/zinc/09/47/90/1194094790.db2.gz IRRROXCFHTWDNJ-AWEZNQCLSA-N 2 0 381.908 0.432 20 0 GCADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419742554 1194094873 /nfs/dbraw/zinc/09/48/73/1194094873.db2.gz JYVBCRXPXXOIIH-HNNXBMFYSA-N 2 0 395.935 0.679 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CCCC2)CC1 ZINC000419751225 1194097004 /nfs/dbraw/zinc/09/70/04/1194097004.db2.gz JXTMPFFLIAGIGI-CVEARBPZSA-N 2 0 380.533 0.735 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)C2CC3CC(C2)CC1C3 ZINC000419755076 1194098061 /nfs/dbraw/zinc/09/80/61/1194098061.db2.gz FHVDXWVFPAPYQZ-UHFFFAOYSA-N 2 0 392.544 0.077 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000419755391 1194098615 /nfs/dbraw/zinc/09/86/15/1194098615.db2.gz QJROTVHQBRHULD-MRXNPFEDSA-N 2 0 380.533 0.785 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419769211 1194102124 /nfs/dbraw/zinc/10/21/24/1194102124.db2.gz DKRUXIHZMBPPGG-CVEARBPZSA-N 2 0 395.548 0.069 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C(C)C ZINC000419792783 1194104475 /nfs/dbraw/zinc/10/44/75/1194104475.db2.gz AIXOLTQBIOXELC-QZTJIDSGSA-N 2 0 382.549 0.966 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419802818 1194106880 /nfs/dbraw/zinc/10/68/80/1194106880.db2.gz AWRLUSPUKYYZMG-GOSISDBHSA-N 2 0 395.592 0.805 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCO1 ZINC000419809095 1194112036 /nfs/dbraw/zinc/11/20/36/1194112036.db2.gz HFJYFNWAZLKNFG-KRWDZBQOSA-N 2 0 380.533 0.868 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419850874 1194114863 /nfs/dbraw/zinc/11/48/63/1194114863.db2.gz HVUOZZNEJNMGLX-IBGZPJMESA-N 2 0 387.528 0.351 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@@H](C)O1 ZINC000419839821 1194118244 /nfs/dbraw/zinc/11/82/44/1194118244.db2.gz BYOOIYOZAWINIR-IAGOWNOFSA-N 2 0 394.560 0.983 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419839905 1194118814 /nfs/dbraw/zinc/11/88/14/1194118814.db2.gz YVUITUOTHQFIIP-SJLPKXTDSA-N 2 0 375.517 0.192 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419846177 1194120397 /nfs/dbraw/zinc/12/03/97/1194120397.db2.gz PDRRHKZQFVULGE-IRXDYDNUSA-N 2 0 379.549 0.262 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419854176 1194121555 /nfs/dbraw/zinc/12/15/55/1194121555.db2.gz BIGMBBFHHSGRFD-RVKKMQEKSA-N 2 0 380.533 0.578 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419856547 1194122929 /nfs/dbraw/zinc/12/29/29/1194122929.db2.gz JBZKNKHIAKEUOA-JFIYKMOQSA-N 2 0 380.533 0.450 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419858771 1194123704 /nfs/dbraw/zinc/12/37/04/1194123704.db2.gz XNEVTIIRFNMXJN-UHFFFAOYSA-N 2 0 393.576 0.703 20 0 GCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863719 1194125519 /nfs/dbraw/zinc/12/55/19/1194125519.db2.gz IBMZJWFQSBOCQH-HKUYNNGSSA-N 2 0 387.528 0.350 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000419864438 1194126351 /nfs/dbraw/zinc/12/63/51/1194126351.db2.gz IWHUYHRFRFFJPM-QGZVFWFLSA-N 2 0 375.517 0.035 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419866770 1194126643 /nfs/dbraw/zinc/12/66/43/1194126643.db2.gz ASOVPMSYDCXZNR-IEBWSBKVSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419866773 1194126761 /nfs/dbraw/zinc/12/67/61/1194126761.db2.gz ASOVPMSYDCXZNR-MJGOQNOKSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868186 1194126886 /nfs/dbraw/zinc/12/68/86/1194126886.db2.gz LRTNHMKNRHDJCV-MSOLQXFVSA-N 2 0 379.549 0.121 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419869726 1194127336 /nfs/dbraw/zinc/12/73/36/1194127336.db2.gz JQOHXHJCEJYMKQ-BHIYHBOVSA-N 2 0 388.512 0.857 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1 ZINC000419869791 1194127503 /nfs/dbraw/zinc/12/75/03/1194127503.db2.gz JVJGNNLBMOBAEG-UDTPNQRGSA-N 2 0 388.512 0.665 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000419875336 1194128931 /nfs/dbraw/zinc/12/89/31/1194128931.db2.gz DWIABKMIBQTHQU-MNEFBYGVSA-N 2 0 388.512 0.667 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419874516 1194129538 /nfs/dbraw/zinc/12/95/38/1194129538.db2.gz ZUEUGJOLNSCQLH-ZHALLVOQSA-N 2 0 394.560 0.840 20 0 GCADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419875548 1194129672 /nfs/dbraw/zinc/12/96/72/1194129672.db2.gz HFLWHXTUDYRFDN-CGTJXYLNSA-N 2 0 379.549 0.260 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419874509 1194129742 /nfs/dbraw/zinc/12/97/42/1194129742.db2.gz ZUEUGJOLNSCQLH-LMMKCTJWSA-N 2 0 394.560 0.840 20 0 GCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419877416 1194130813 /nfs/dbraw/zinc/13/08/13/1194130813.db2.gz XCZCOIZMYLTPJP-UHFFFAOYSA-N 2 0 381.565 0.368 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000419882823 1194132269 /nfs/dbraw/zinc/13/22/69/1194132269.db2.gz VMTSFARZKYAZLI-SNRMKQJTSA-N 2 0 388.512 0.810 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419884515 1194132860 /nfs/dbraw/zinc/13/28/60/1194132860.db2.gz NZIJOBUAEVSBCB-SFHVURJKSA-N 2 0 387.528 0.131 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419896984 1194135622 /nfs/dbraw/zinc/13/56/22/1194135622.db2.gz VEJHSLSZXOOMQJ-QZTJIDSGSA-N 2 0 381.565 0.508 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419916393 1194138181 /nfs/dbraw/zinc/13/81/81/1194138181.db2.gz QSBWTIKJHHQCTJ-SFHVURJKSA-N 2 0 376.501 0.762 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419917092 1194138680 /nfs/dbraw/zinc/13/86/80/1194138680.db2.gz RPHRJWVHCJWPBE-KZNAEPCWSA-N 2 0 379.549 0.119 20 0 GCADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419907301 1194140947 /nfs/dbraw/zinc/14/09/47/1194140947.db2.gz BSRVEPCORNIVOW-GOSISDBHSA-N 2 0 380.533 0.453 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419906660 1194140959 /nfs/dbraw/zinc/14/09/59/1194140959.db2.gz AOLVMWRAUWWLEI-ZHALLVOQSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419906659 1194141170 /nfs/dbraw/zinc/14/11/70/1194141170.db2.gz AOLVMWRAUWWLEI-SCTDSRPQSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000419965839 1194149025 /nfs/dbraw/zinc/14/90/25/1194149025.db2.gz KJSDYPRZJIQHBY-BHIYHBOVSA-N 2 0 393.576 0.495 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000419968350 1194149152 /nfs/dbraw/zinc/14/91/52/1194149152.db2.gz DFEJQIXDGNMHIH-APWZRJJASA-N 2 0 393.576 0.637 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)CCO1 ZINC000419967467 1194149429 /nfs/dbraw/zinc/14/94/29/1194149429.db2.gz BFAXVCIHNQXHLN-CRAIPNDOSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)CCO1 ZINC000419967470 1194149581 /nfs/dbraw/zinc/14/95/81/1194149581.db2.gz BFAXVCIHNQXHLN-YJBOKZPZSA-N 2 0 380.533 0.722 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)CCO1 ZINC000419967469 1194149627 /nfs/dbraw/zinc/14/96/27/1194149627.db2.gz BFAXVCIHNQXHLN-QAPCUYQASA-N 2 0 380.533 0.722 20 0 GCADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)CCO1 ZINC000419967468 1194149744 /nfs/dbraw/zinc/14/97/44/1194149744.db2.gz BFAXVCIHNQXHLN-MAUKXSAKSA-N 2 0 380.533 0.722 20 0 GCADRP COc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000419973133 1194150405 /nfs/dbraw/zinc/15/04/05/1194150405.db2.gz IWGZIOJOYIPNLB-GOSISDBHSA-N 2 0 376.501 0.829 20 0 GCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419988603 1194153441 /nfs/dbraw/zinc/15/34/41/1194153441.db2.gz ZTPHAQNYNJUQJD-ZWKOTPCHSA-N 2 0 379.549 0.121 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419995104 1194154529 /nfs/dbraw/zinc/15/45/29/1194154529.db2.gz HSAOJBCPZJIZCJ-ZIFCJYIRSA-N 2 0 394.560 0.983 20 0 GCADRP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420024088 1194158358 /nfs/dbraw/zinc/15/83/58/1194158358.db2.gz AEIGIJWNTMSHTI-IPMKNSEASA-N 2 0 393.576 0.636 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)o1 ZINC000420023597 1194158363 /nfs/dbraw/zinc/15/83/63/1194158363.db2.gz AUHIKPPSAQHILP-ZBFHGGJFSA-N 2 0 380.489 0.707 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420027707 1194159856 /nfs/dbraw/zinc/15/98/56/1194159856.db2.gz DHSITTOJVJXOMP-RDJZCZTQSA-N 2 0 398.548 0.565 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000420011875 1194161438 /nfs/dbraw/zinc/16/14/38/1194161438.db2.gz HFNUGFCGLPMXEH-HKUYNNGSSA-N 2 0 393.576 0.637 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000420017255 1194162641 /nfs/dbraw/zinc/16/26/41/1194162641.db2.gz NYTQGNTULABTAE-ZBFHGGJFSA-N 2 0 375.473 0.373 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420062320 1194165180 /nfs/dbraw/zinc/16/51/80/1194165180.db2.gz BYNRQSWHVUBABJ-GOSISDBHSA-N 2 0 382.549 0.970 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000420038947 1194166010 /nfs/dbraw/zinc/16/60/10/1194166010.db2.gz NKMVJZDCNYDGJV-XHSDSOJGSA-N 2 0 384.521 0.175 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000420049109 1194169438 /nfs/dbraw/zinc/16/94/38/1194169438.db2.gz YCZHXAWXZZDNQO-RDJZCZTQSA-N 2 0 396.532 0.319 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)CC1 ZINC000420067485 1194170918 /nfs/dbraw/zinc/17/09/18/1194170918.db2.gz YGHXQFWSACDKJE-SFHVURJKSA-N 2 0 393.576 0.496 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420055165 1194171088 /nfs/dbraw/zinc/17/10/88/1194171088.db2.gz HQMDVRGUYFNVLU-AEFFLSMTSA-N 2 0 388.512 0.950 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CCCC1 ZINC000420070062 1194172026 /nfs/dbraw/zinc/17/20/26/1194172026.db2.gz IXNPKVLDVUAEOH-SFHVURJKSA-N 2 0 380.533 0.724 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420078725 1194173799 /nfs/dbraw/zinc/17/37/99/1194173799.db2.gz FSXBLNSTJWVXPB-HZPDHXFCSA-N 2 0 382.549 0.968 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C[C@H](C)O1 ZINC000420082488 1194174318 /nfs/dbraw/zinc/17/43/18/1194174318.db2.gz JMHSDINNHZCIAB-JTDSTZFVSA-N 2 0 394.560 0.968 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1)Cc1ccccc1 ZINC000420088594 1194175487 /nfs/dbraw/zinc/17/54/87/1194175487.db2.gz IFRVJZCVPNJJRX-UHFFFAOYSA-N 2 0 387.528 0.260 20 0 GCADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000420103738 1194179042 /nfs/dbraw/zinc/17/90/42/1194179042.db2.gz RQPLEIRKZHILNF-KEYYUXOJSA-N 2 0 380.439 0.689 20 0 GCADRP C[C@@]1(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC[NH2+]C1 ZINC000420107131 1194180225 /nfs/dbraw/zinc/18/02/25/1194180225.db2.gz SPROQGBRVAQNEB-OAQYLSRUSA-N 2 0 394.560 0.843 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000420110247 1194180859 /nfs/dbraw/zinc/18/08/59/1194180859.db2.gz FEGAAMJMSXSXOC-YWTNHNAXSA-N 2 0 394.560 0.839 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420111503 1194181259 /nfs/dbraw/zinc/18/12/59/1194181259.db2.gz CSZDCFCTOYINLA-WMZOPIPTSA-N 2 0 382.549 0.840 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420111500 1194181405 /nfs/dbraw/zinc/18/14/05/1194181405.db2.gz CSZDCFCTOYINLA-SJLPKXTDSA-N 2 0 382.549 0.840 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420112077 1194181730 /nfs/dbraw/zinc/18/17/30/1194181730.db2.gz AGFYBIPWSUQXCH-GOSISDBHSA-N 2 0 382.549 0.971 20 0 GCADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000420134284 1194184215 /nfs/dbraw/zinc/18/42/15/1194184215.db2.gz BKCRBZJJCWDIBY-INIZCTEOSA-N 2 0 383.537 0.023 20 0 GCADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)C[C@H](C)O1 ZINC000420137173 1194184620 /nfs/dbraw/zinc/18/46/20/1194184620.db2.gz WRYUQSOAMZARQH-VXIBKDFQSA-N 2 0 394.560 0.839 20 0 GCADRP C[N@H+](CCN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000420142625 1194192829 /nfs/dbraw/zinc/19/28/29/1194192829.db2.gz VANZZRPSKDSRAF-UHFFFAOYSA-N 2 0 399.539 0.299 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420143958 1194192892 /nfs/dbraw/zinc/19/28/92/1194192892.db2.gz ZRMHWXUFHWNDNW-IAGOWNOFSA-N 2 0 377.533 0.039 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420177121 1194195348 /nfs/dbraw/zinc/19/53/48/1194195348.db2.gz RNEJPNKEWLPTRL-IAGOWNOFSA-N 2 0 382.549 0.840 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420181998 1194197266 /nfs/dbraw/zinc/19/72/66/1194197266.db2.gz DWCLOLVFSUTUTG-QGZVFWFLSA-N 2 0 380.464 0.211 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589398 1194197878 /nfs/dbraw/zinc/19/78/78/1194197878.db2.gz PAGHOKQTXNDBQU-MJGOQNOKSA-N 2 0 394.560 0.936 20 0 GCADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420170530 1194200268 /nfs/dbraw/zinc/20/02/68/1194200268.db2.gz SDRNCZYCZYXQQS-QZTJIDSGSA-N 2 0 393.576 0.509 20 0 GCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420172652 1194200838 /nfs/dbraw/zinc/20/08/38/1194200838.db2.gz VXTOEKFIDIMKDF-KRWDZBQOSA-N 2 0 380.533 0.452 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420174461 1194201282 /nfs/dbraw/zinc/20/12/82/1194201282.db2.gz YPDHFVPCJSRXNE-DLBZAZTESA-N 2 0 380.533 0.452 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420174201 1194201590 /nfs/dbraw/zinc/20/15/90/1194201590.db2.gz YGOCNDHHQJWHSF-RDJZCZTQSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000501601002 1194201815 /nfs/dbraw/zinc/20/18/15/1194201815.db2.gz UEHLAIRHNUCQML-ROUUACIJSA-N 2 0 394.560 0.842 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420174200 1194201889 /nfs/dbraw/zinc/20/18/89/1194201889.db2.gz YGOCNDHHQJWHSF-NVXWUHKLSA-N 2 0 380.533 0.593 20 0 GCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000420201926 1194203893 /nfs/dbraw/zinc/20/38/93/1194203893.db2.gz NOTRQAWIXJGZFX-ZWKOTPCHSA-N 2 0 380.533 0.581 20 0 GCADRP C[C@H]1[C@H](CO)CCN1C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420205084 1194204616 /nfs/dbraw/zinc/20/46/16/1194204616.db2.gz NHDVWRYCPGVMHF-WMZOPIPTSA-N 2 0 388.512 0.325 20 0 GCADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000420203902 1194204808 /nfs/dbraw/zinc/20/48/08/1194204808.db2.gz LLWYFULBJBURKR-YESZJQIVSA-N 2 0 376.501 0.983 20 0 GCADRP CN(CC(C)(C)O)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420207385 1194205305 /nfs/dbraw/zinc/20/53/05/1194205305.db2.gz QOPMVNVKCRFCPJ-UHFFFAOYSA-N 2 0 376.501 0.325 20 0 GCADRP COC[C@@H](C)N(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420206360 1194205583 /nfs/dbraw/zinc/20/55/83/1194205583.db2.gz OUTNIIACUZRJHK-MRXNPFEDSA-N 2 0 376.501 0.589 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420188576 1194205986 /nfs/dbraw/zinc/20/59/86/1194205986.db2.gz NHMMFZMFCZAXQX-HKUYNNGSSA-N 2 0 388.512 0.604 20 0 GCADRP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420188518 1194206032 /nfs/dbraw/zinc/20/60/32/1194206032.db2.gz NALLDAOBBNWZTR-RBUKOAKNSA-N 2 0 388.512 0.604 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000420189285 1194206666 /nfs/dbraw/zinc/20/66/66/1194206666.db2.gz DHKRYTUEMDREQO-LJQANCHMSA-N 2 0 388.512 0.258 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000420191220 1194206924 /nfs/dbraw/zinc/20/69/24/1194206924.db2.gz HMFAKTZWNXJDLD-IAGOWNOFSA-N 2 0 379.549 0.247 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420194687 1194208115 /nfs/dbraw/zinc/20/81/15/1194208115.db2.gz SSRKROOSSWRZHR-MJGOQNOKSA-N 2 0 394.560 0.984 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420194684 1194208316 /nfs/dbraw/zinc/20/83/16/1194208316.db2.gz SSRKROOSSWRZHR-IEBWSBKVSA-N 2 0 394.560 0.984 20 0 GCADRP C[C@H]1OCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000420209532 1194211785 /nfs/dbraw/zinc/21/17/85/1194211785.db2.gz SZVOJMGSWCJDEL-DLBZAZTESA-N 2 0 388.512 0.732 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501612468 1194212074 /nfs/dbraw/zinc/21/20/74/1194212074.db2.gz ODAVOUWKEQKIHE-SFHVURJKSA-N 2 0 394.560 0.938 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000501612273 1194212124 /nfs/dbraw/zinc/21/21/24/1194212124.db2.gz IBAOQKFNVVAMSH-KRWDZBQOSA-N 2 0 392.544 0.690 20 0 GCADRP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420214799 1194213842 /nfs/dbraw/zinc/21/38/42/1194213842.db2.gz KLKYVVLIZOIALM-UHFFFAOYSA-N 2 0 392.544 0.763 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000501632633 1194216095 /nfs/dbraw/zinc/21/60/95/1194216095.db2.gz AZCICXMIFALOTF-IEBWSBKVSA-N 2 0 392.544 0.690 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501634550 1194216152 /nfs/dbraw/zinc/21/61/52/1194216152.db2.gz DNJMGCNNQCBWMZ-ROUUACIJSA-N 2 0 394.560 0.794 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501634548 1194216322 /nfs/dbraw/zinc/21/63/22/1194216322.db2.gz DNJMGCNNQCBWMZ-MSOLQXFVSA-N 2 0 394.560 0.794 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000501634509 1194216528 /nfs/dbraw/zinc/21/65/28/1194216528.db2.gz AOUKBRUBLYWBPA-HKUYNNGSSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000501639281 1194217477 /nfs/dbraw/zinc/21/74/77/1194217477.db2.gz NLVQURGCMYXNQB-MSOLQXFVSA-N 2 0 394.560 0.984 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000501648640 1194219276 /nfs/dbraw/zinc/21/92/76/1194219276.db2.gz YOWFPGHLHJGSHO-QZTJIDSGSA-N 2 0 392.544 0.548 20 0 GCADRP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000420345623 1194222622 /nfs/dbraw/zinc/22/26/22/1194222622.db2.gz AUKOQHZVUGWNIJ-MRXNPFEDSA-N 2 0 382.455 0.926 20 0 GCADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420351390 1194223189 /nfs/dbraw/zinc/22/31/89/1194223189.db2.gz WVCRBFVCCNDRMA-OALUTQOASA-N 2 0 376.476 0.705 20 0 GCADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420381334 1194225196 /nfs/dbraw/zinc/22/51/96/1194225196.db2.gz OUHQYBKZKKDITA-KGYLQXTDSA-N 2 0 380.411 0.981 20 0 GCADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000420373867 1194225459 /nfs/dbraw/zinc/22/54/59/1194225459.db2.gz GYVLJCMXWBSWJC-OALUTQOASA-N 2 0 385.516 0.793 20 0 GCADRP C[C@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420408558 1194229461 /nfs/dbraw/zinc/22/94/61/1194229461.db2.gz PMRTTYNVNLWUAA-HOCLYGCPSA-N 2 0 382.530 0.300 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000501827337 1194232330 /nfs/dbraw/zinc/23/23/30/1194232330.db2.gz KPHWRQWMBIZOOF-ZWOKBUDYSA-N 2 0 390.528 0.850 20 0 GCADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000647907941 1194282218 /nfs/dbraw/zinc/28/22/18/1194282218.db2.gz VSXKQDGQMAFLHA-HUHSQHJXSA-N 2 0 394.541 0.440 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000421407667 1194336745 /nfs/dbraw/zinc/33/67/45/1194336745.db2.gz MGPNRKZAZDYNDS-QGZVFWFLSA-N 2 0 376.501 0.796 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C3CC3)CC2)CC1 ZINC000422103926 1194386614 /nfs/dbraw/zinc/38/66/14/1194386614.db2.gz HVKREYMHNVTTQX-UHFFFAOYSA-N 2 0 393.576 0.558 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000422111729 1194392820 /nfs/dbraw/zinc/39/28/20/1194392820.db2.gz DKNAXDIXBZBHBW-ZIFCJYIRSA-N 2 0 394.560 0.887 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC1 ZINC000422136091 1194397499 /nfs/dbraw/zinc/39/74/99/1194397499.db2.gz KQHWUNXSEJYWTF-OTWHNJEPSA-N 2 0 393.576 0.556 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCc2nnnn2CC1 ZINC000422160368 1194402565 /nfs/dbraw/zinc/40/25/65/1194402565.db2.gz SJQHZLLSVWWCMT-INIZCTEOSA-N 2 0 399.503 0.285 20 0 GCADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000503183727 1194403607 /nfs/dbraw/zinc/40/36/07/1194403607.db2.gz UXVRUPNYNJJXRD-HOTGVXAUSA-N 2 0 390.532 0.924 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000272642665 1194481675 /nfs/dbraw/zinc/48/16/75/1194481675.db2.gz YYKLFOCYUHSFBL-UHFFFAOYSA-N 2 0 392.548 0.801 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272713817 1194490219 /nfs/dbraw/zinc/49/02/19/1194490219.db2.gz VZVCFYCCWOGOSR-UHFFFAOYSA-N 2 0 391.516 0.648 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000273058405 1194534767 /nfs/dbraw/zinc/53/47/67/1194534767.db2.gz WZQREWXSSRINMM-IBGZPJMESA-N 2 0 378.517 0.973 20 0 GCADRP CC[C@@H]1OCC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422281032 1194599947 /nfs/dbraw/zinc/59/99/47/1194599947.db2.gz AVIZHOJJNGDKOT-MSOLQXFVSA-N 2 0 389.500 0.394 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000422260839 1194601019 /nfs/dbraw/zinc/60/10/19/1194601019.db2.gz DDLOMPQCNWQVCL-CVEARBPZSA-N 2 0 378.525 0.436 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nnnn2CC1 ZINC000422260840 1194601180 /nfs/dbraw/zinc/60/11/80/1194601180.db2.gz DDLOMPQCNWQVCL-HOTGVXAUSA-N 2 0 378.525 0.436 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000422261839 1194601620 /nfs/dbraw/zinc/60/16/20/1194601620.db2.gz PWUDGOGGYGXLPF-UHFFFAOYSA-N 2 0 379.549 0.215 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000422283816 1194602290 /nfs/dbraw/zinc/60/22/90/1194602290.db2.gz HFZYXFVKAYNBGN-JKSUJKDBSA-N 2 0 391.541 0.720 20 0 GCADRP C[C@H]1CC[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000422288378 1194603619 /nfs/dbraw/zinc/60/36/19/1194603619.db2.gz UOIHTUJSAYWSBJ-WMZOPIPTSA-N 2 0 389.500 0.394 20 0 GCADRP C[C@H]1CC[C@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000422288376 1194603685 /nfs/dbraw/zinc/60/36/85/1194603685.db2.gz UOIHTUJSAYWSBJ-FUHWJXTLSA-N 2 0 389.500 0.394 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000422291439 1194605222 /nfs/dbraw/zinc/60/52/22/1194605222.db2.gz GLIDVQMDLWOHBX-UHFFFAOYSA-N 2 0 393.576 0.606 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000422378183 1194627056 /nfs/dbraw/zinc/62/70/56/1194627056.db2.gz LTGJEBPEGKMURP-RTBURBONSA-N 2 0 388.512 0.422 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000422395134 1194635166 /nfs/dbraw/zinc/63/51/66/1194635166.db2.gz IMJCEHHRFYZKGQ-IPMKNSEASA-N 2 0 394.560 0.812 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCN1C1CC[NH+](C)CC1 ZINC000422469350 1194646731 /nfs/dbraw/zinc/64/67/31/1194646731.db2.gz CYJBYTZXQRHTBN-MRXNPFEDSA-N 2 0 398.511 0.577 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC2)CCO1 ZINC000422470728 1194646994 /nfs/dbraw/zinc/64/69/94/1194646994.db2.gz HEWPLFCNXHUZDA-OAHLLOKOSA-N 2 0 385.468 0.662 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422459469 1194649744 /nfs/dbraw/zinc/64/97/44/1194649744.db2.gz YTKUPIPSHKJXKY-MRXNPFEDSA-N 2 0 380.533 0.689 20 0 GCADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000422497878 1194652384 /nfs/dbraw/zinc/65/23/84/1194652384.db2.gz WLJLGJBNOGBYKQ-QZTJIDSGSA-N 2 0 380.533 0.405 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000422490162 1194656471 /nfs/dbraw/zinc/65/64/71/1194656471.db2.gz MKAKOHRXVJFVDB-MSOLQXFVSA-N 2 0 393.576 0.461 20 0 GCADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536754 1194664818 /nfs/dbraw/zinc/66/48/18/1194664818.db2.gz DMLBARRHXXMPRD-LNLFQRSKSA-N 2 0 394.560 0.935 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)C1 ZINC000652729593 1194668659 /nfs/dbraw/zinc/66/86/59/1194668659.db2.gz LJUHOAPTFUYQTG-MANSERQUSA-N 2 0 392.544 0.676 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000414679217 1194682576 /nfs/dbraw/zinc/68/25/76/1194682576.db2.gz RJLDAWAUNHJWEI-MRXNPFEDSA-N 2 0 392.475 0.546 20 0 GCADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714570 1194693672 /nfs/dbraw/zinc/69/36/72/1194693672.db2.gz LBWZXBACTQXVJV-IRXDYDNUSA-N 2 0 376.505 0.262 20 0 GCADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414700353 1194705485 /nfs/dbraw/zinc/70/54/85/1194705485.db2.gz GFQATZOTDKJJEV-INIZCTEOSA-N 2 0 382.530 0.402 20 0 GCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422908606 1194706868 /nfs/dbraw/zinc/70/68/68/1194706868.db2.gz DJBGJSRCWUMUQM-RBUKOAKNSA-N 2 0 388.512 0.895 20 0 GCADRP CCN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423060850 1194722708 /nfs/dbraw/zinc/72/27/08/1194722708.db2.gz PJDDTZNRYOSYGG-RBUKOAKNSA-N 2 0 388.512 0.686 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000423059702 1194722978 /nfs/dbraw/zinc/72/29/78/1194722978.db2.gz MRGJWLHYZUVXCA-KURKYZTESA-N 2 0 380.533 0.674 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423088001 1194726423 /nfs/dbraw/zinc/72/64/23/1194726423.db2.gz QUMQBCBVRCCBQN-LJQANCHMSA-N 2 0 393.576 0.463 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423128168 1194729145 /nfs/dbraw/zinc/72/91/45/1194729145.db2.gz KLIMGLWXVBVWHZ-RYQLBKOJSA-N 2 0 379.549 0.057 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000423159492 1194733905 /nfs/dbraw/zinc/73/39/05/1194733905.db2.gz YCICAXGBOMGTLE-GUDVDZBRSA-N 2 0 392.544 0.818 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000423159493 1194734029 /nfs/dbraw/zinc/73/40/29/1194734029.db2.gz YCICAXGBOMGTLE-IPMKNSEASA-N 2 0 392.544 0.818 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423166633 1194734379 /nfs/dbraw/zinc/73/43/79/1194734379.db2.gz RJOKXHMBGOWLKD-HSALFYBXSA-N 2 0 399.539 0.962 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423167285 1194735161 /nfs/dbraw/zinc/73/51/61/1194735161.db2.gz RXTGDLJKUSITCW-SJORKVTESA-N 2 0 376.476 0.784 20 0 GCADRP [NH3+]CCCOC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000423172317 1194735484 /nfs/dbraw/zinc/73/54/84/1194735484.db2.gz SEOADRAYDFCSHJ-KRWDZBQOSA-N 2 0 380.533 0.820 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000423207891 1194737128 /nfs/dbraw/zinc/73/71/28/1194737128.db2.gz HJLNADAGVKQYOZ-HDICACEKSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423212058 1194737328 /nfs/dbraw/zinc/73/73/28/1194737328.db2.gz ZOGHUPAHCWCXAI-FGTMMUONSA-N 2 0 394.560 0.922 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423199098 1194738672 /nfs/dbraw/zinc/73/86/72/1194738672.db2.gz ARJKIGCYLASYHM-FQEVSTJZSA-N 2 0 376.476 0.928 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)C[C@@H](C)O1 ZINC000423200101 1194738948 /nfs/dbraw/zinc/73/89/48/1194738948.db2.gz DDYRDCDLUOCVAX-HZPDHXFCSA-N 2 0 382.549 0.778 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423205394 1194739198 /nfs/dbraw/zinc/73/91/98/1194739198.db2.gz POPFKOGFERCUSI-HOTGVXAUSA-N 2 0 394.466 0.923 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423203033 1194739416 /nfs/dbraw/zinc/73/94/16/1194739416.db2.gz BTAZLBYDLGVIAZ-ZWKOTPCHSA-N 2 0 380.533 0.404 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423203365 1194739481 /nfs/dbraw/zinc/73/94/81/1194739481.db2.gz CINVBHICYNDDCI-RDGPPVDQSA-N 2 0 393.576 0.589 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214539 1194740265 /nfs/dbraw/zinc/74/02/65/1194740265.db2.gz PCASWHUNRPNSIA-CEXWTWQISA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C[C@@H](C)[NH2+]1 ZINC000423220450 1194740995 /nfs/dbraw/zinc/74/09/95/1194740995.db2.gz XZJSXLGEUMNVOM-IAGOWNOFSA-N 2 0 387.528 0.756 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)CC2)c1 ZINC000423259282 1194744480 /nfs/dbraw/zinc/74/44/80/1194744480.db2.gz NVIXLURYGOYBIO-UHFFFAOYSA-N 2 0 387.484 0.341 20 0 GCADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423268581 1194745541 /nfs/dbraw/zinc/74/55/41/1194745541.db2.gz UUSQMFNWRRCMIC-ZWKOTPCHSA-N 2 0 382.549 0.651 20 0 GCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000423361425 1194751421 /nfs/dbraw/zinc/75/14/21/1194751421.db2.gz GRUGILPYERHEJX-UHFFFAOYSA-N 2 0 396.557 0.995 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCN1C1CC[NH+](C)CC1 ZINC000423385396 1194752601 /nfs/dbraw/zinc/75/26/01/1194752601.db2.gz QWVKBHDFKADAQE-UKBAYJJMSA-N 2 0 391.560 0.199 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCN1C1CC[NH+](C)CC1 ZINC000423387116 1194752936 /nfs/dbraw/zinc/75/29/36/1194752936.db2.gz SLMGGTMKQNVWIO-DLBZAZTESA-N 2 0 379.549 0.201 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000423394542 1194753227 /nfs/dbraw/zinc/75/32/27/1194753227.db2.gz ZXRJOUIGLLFVGH-KRWDZBQOSA-N 2 0 391.560 0.215 20 0 GCADRP O=C(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423446097 1194755828 /nfs/dbraw/zinc/75/58/28/1194755828.db2.gz NTEOSNYCUMKBNU-RBUKOAKNSA-N 2 0 392.544 0.405 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423449808 1194756029 /nfs/dbraw/zinc/75/60/29/1194756029.db2.gz SDZATYUDONZRKV-UHFFFAOYSA-N 2 0 382.549 0.794 20 0 GCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423451860 1194756085 /nfs/dbraw/zinc/75/60/85/1194756085.db2.gz VOLSSWGVOKJZMN-LJQANCHMSA-N 2 0 394.560 0.795 20 0 GCADRP CC1(C)CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000423433909 1194756899 /nfs/dbraw/zinc/75/68/99/1194756899.db2.gz CLRXWTQUWMVPRM-UHFFFAOYSA-N 2 0 380.533 0.548 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000423435272 1194757276 /nfs/dbraw/zinc/75/72/76/1194757276.db2.gz DNCWKUWTQWZQTD-OALUTQOASA-N 2 0 394.560 0.936 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000423441787 1194757483 /nfs/dbraw/zinc/75/74/83/1194757483.db2.gz JJZIRRGXVHXCTG-IPMKNSEASA-N 2 0 394.560 0.794 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423439139 1194757670 /nfs/dbraw/zinc/75/76/70/1194757670.db2.gz HMGXZCRHJKSTRJ-OAQYLSRUSA-N 2 0 394.560 0.795 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000423470507 1194758489 /nfs/dbraw/zinc/75/84/89/1194758489.db2.gz WGQZIRAHDRHBHM-QGZVFWFLSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423500619 1194759663 /nfs/dbraw/zinc/75/96/63/1194759663.db2.gz KOVHABWDRFSSMG-AEFFLSMTSA-N 2 0 380.533 0.676 20 0 GCADRP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423497990 1194759809 /nfs/dbraw/zinc/75/98/09/1194759809.db2.gz AUWRMCGUFMPEKK-KBAYOESNSA-N 2 0 379.549 0.342 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)C[C@@H](C)O1 ZINC000423504644 1194760134 /nfs/dbraw/zinc/76/01/34/1194760134.db2.gz NOOHBFIKCXJKLV-IAGOWNOFSA-N 2 0 394.560 0.922 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000423485615 1194760234 /nfs/dbraw/zinc/76/02/34/1194760234.db2.gz VJEJEYHNBPGBFR-QZTJIDSGSA-N 2 0 388.512 0.653 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000423484065 1194760449 /nfs/dbraw/zinc/76/04/49/1194760449.db2.gz TTYLJYREPYIOCH-HKUYNNGSSA-N 2 0 388.512 0.796 20 0 GCADRP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000423530538 1194761517 /nfs/dbraw/zinc/76/15/17/1194761517.db2.gz PPGBOLQLGSYKTK-ROUUACIJSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517752 1194762153 /nfs/dbraw/zinc/76/21/53/1194762153.db2.gz OGYXAYNFHXVALE-SJLPKXTDSA-N 2 0 398.573 0.946 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1)CC(C)C ZINC000423516858 1194762398 /nfs/dbraw/zinc/76/23/98/1194762398.db2.gz HBYXHHPDRZWINK-SFHVURJKSA-N 2 0 382.549 0.779 20 0 GCADRP C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517750 1194762437 /nfs/dbraw/zinc/76/24/37/1194762437.db2.gz OGYXAYNFHXVALE-FUHWJXTLSA-N 2 0 398.573 0.946 20 0 GCADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000423572964 1194768464 /nfs/dbraw/zinc/76/84/64/1194768464.db2.gz QLCDAKLQSWEHSX-GHTZIAJQSA-N 2 0 388.512 0.292 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423576257 1194769571 /nfs/dbraw/zinc/76/95/71/1194769571.db2.gz XUIBFMOSFYOVFK-OAQYLSRUSA-N 2 0 388.512 0.279 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423603388 1194772057 /nfs/dbraw/zinc/77/20/57/1194772057.db2.gz FDUCTQRJDLAHFN-VQTJNVASSA-N 2 0 399.539 0.225 20 0 GCADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423610601 1194773026 /nfs/dbraw/zinc/77/30/26/1194773026.db2.gz REBMGMYUNGONOP-ICSRJNTNSA-N 2 0 399.539 0.225 20 0 GCADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423612548 1194773570 /nfs/dbraw/zinc/77/35/70/1194773570.db2.gz PWPCZPBIQVVXOH-KRWDZBQOSA-N 2 0 393.557 0.144 20 0 GCADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423643907 1194777428 /nfs/dbraw/zinc/77/74/28/1194777428.db2.gz XSNYFEGUSQEIHU-UXHICEINSA-N 2 0 399.539 0.212 20 0 GCADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423647656 1194777826 /nfs/dbraw/zinc/77/78/26/1194777826.db2.gz BOGCULQDNFWOGD-IKGGRYGDSA-N 2 0 380.533 0.545 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423622294 1194778028 /nfs/dbraw/zinc/77/80/28/1194778028.db2.gz YUEXKHCNVURXBP-NUJGCVRESA-N 2 0 380.533 0.545 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423649369 1194779092 /nfs/dbraw/zinc/77/90/92/1194779092.db2.gz JTJOGEWIGPPOLJ-WMZOPIPTSA-N 2 0 380.533 0.533 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423659183 1194780569 /nfs/dbraw/zinc/78/05/69/1194780569.db2.gz YYDSWOAAMUODSJ-AEFFLSMTSA-N 2 0 382.549 0.779 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423659186 1194780648 /nfs/dbraw/zinc/78/06/48/1194780648.db2.gz YYDSWOAAMUODSJ-WMZOPIPTSA-N 2 0 382.549 0.779 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423667313 1194781824 /nfs/dbraw/zinc/78/18/24/1194781824.db2.gz JHDAFBUCKRGBST-UHFFFAOYSA-N 2 0 389.544 0.460 20 0 GCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423648858 1194782705 /nfs/dbraw/zinc/78/27/05/1194782705.db2.gz JBZPITRSMWKALK-XMTFNYHQSA-N 2 0 379.549 0.199 20 0 GCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423698697 1194783443 /nfs/dbraw/zinc/78/34/43/1194783443.db2.gz PNQJRWCTNKFKFJ-FUHWJXTLSA-N 2 0 380.533 0.818 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)C1CC[NH2+]CC1 ZINC000423697266 1194783522 /nfs/dbraw/zinc/78/35/22/1194783522.db2.gz KQTZWHFQPSVJNG-UHFFFAOYSA-N 2 0 389.500 0.729 20 0 GCADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423688767 1194786436 /nfs/dbraw/zinc/78/64/36/1194786436.db2.gz XDAWTVGMQSNGDE-QGZVFWFLSA-N 2 0 395.548 0.023 20 0 GCADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C(C)C ZINC000423713524 1194787661 /nfs/dbraw/zinc/78/76/61/1194787661.db2.gz QFVYFURSPUWLMZ-MSOLQXFVSA-N 2 0 394.560 0.791 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000423715903 1194788255 /nfs/dbraw/zinc/78/82/55/1194788255.db2.gz HYEXJQVGWXIHRP-KRWDZBQOSA-N 2 0 375.517 0.068 20 0 GCADRP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423741927 1194790800 /nfs/dbraw/zinc/79/08/00/1194790800.db2.gz YROCYOJFJAQHAE-FYQPLNBISA-N 2 0 382.508 0.787 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)[C@@H]1C[NH3+] ZINC000423748545 1194791854 /nfs/dbraw/zinc/79/18/54/1194791854.db2.gz ZMUNEPBSKYPEFJ-PKOBYXMFSA-N 2 0 394.560 0.923 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423749621 1194791933 /nfs/dbraw/zinc/79/19/33/1194791933.db2.gz SYCWSZUPSAEHTP-GUDVDZBRSA-N 2 0 393.576 0.604 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423749619 1194791952 /nfs/dbraw/zinc/79/19/52/1194791952.db2.gz SYCWSZUPSAEHTP-CEXWTWQISA-N 2 0 393.576 0.604 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000423733631 1194792144 /nfs/dbraw/zinc/79/21/44/1194792144.db2.gz CDECTYOGHNMCES-OAHLLOKOSA-N 2 0 375.473 0.339 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000423738925 1194792937 /nfs/dbraw/zinc/79/29/37/1194792937.db2.gz QTENAHNVFBACDR-FAJBIJEISA-N 2 0 394.560 0.920 20 0 GCADRP [NH3+]C1(CNC(=O)CCC(=O)N2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424043427 1194800223 /nfs/dbraw/zinc/80/02/23/1194800223.db2.gz YJYIBHWSMOJUBB-UHFFFAOYSA-N 2 0 388.512 0.735 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000424444244 1194811677 /nfs/dbraw/zinc/81/16/77/1194811677.db2.gz ZLHOETRVLZAGLG-HXUWFJFHSA-N 2 0 396.491 0.928 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000424446001 1194811950 /nfs/dbraw/zinc/81/19/50/1194811950.db2.gz GPSLSNYKYMQEJU-HNNXBMFYSA-N 2 0 375.473 0.096 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652730009 1194812081 /nfs/dbraw/zinc/81/20/81/1194812081.db2.gz DTIVSJQGPNYRBS-ICBNADEASA-N 2 0 392.544 0.674 20 0 GCADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000424479885 1194814470 /nfs/dbraw/zinc/81/44/70/1194814470.db2.gz PGVJSYZSJBBJDO-CQSZACIVSA-N 2 0 395.470 0.575 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424510436 1194815101 /nfs/dbraw/zinc/81/51/01/1194815101.db2.gz RXSUJHPSEJAZPL-JKSUJKDBSA-N 2 0 376.505 0.054 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424491517 1194816754 /nfs/dbraw/zinc/81/67/54/1194816754.db2.gz DSFNXJSDAHTZEX-KRWDZBQOSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC([N@@H+]3CCO[C@H](C)C3)CC1)CC[NH2+]CC2 ZINC000424494703 1194817327 /nfs/dbraw/zinc/81/73/27/1194817327.db2.gz OGAVYYASMCBPRK-IAGOWNOFSA-N 2 0 392.544 0.689 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000424500585 1194818574 /nfs/dbraw/zinc/81/85/74/1194818574.db2.gz CVVSYWAYIIENFG-ZYSHUDEJSA-N 2 0 398.511 0.310 20 0 GCADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424539698 1194819314 /nfs/dbraw/zinc/81/93/14/1194819314.db2.gz CUZNEDCNJHPECF-OKZBNKHCSA-N 2 0 388.516 0.054 20 0 GCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535226 1194820182 /nfs/dbraw/zinc/82/01/82/1194820182.db2.gz ZYAOEVVPDVKQQM-FGTMMUONSA-N 2 0 390.532 0.300 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424543003 1194822508 /nfs/dbraw/zinc/82/25/08/1194822508.db2.gz FXRFRONYIBFPTM-IXDOHACOSA-N 2 0 376.505 0.054 20 0 GCADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000414804708 1194827524 /nfs/dbraw/zinc/82/75/24/1194827524.db2.gz NZLRUOJMDGZQMG-UHFFFAOYSA-N 2 0 387.484 0.111 20 0 GCADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000434573163 1194851713 /nfs/dbraw/zinc/85/17/13/1194851713.db2.gz DRHKRUYANWNKDA-OAHLLOKOSA-N 2 0 383.537 0.781 20 0 GCADRP CN(CC(=O)N1CC[C@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1)Cc1ccccc1 ZINC000435021774 1194883382 /nfs/dbraw/zinc/88/33/82/1194883382.db2.gz RWXWBMYRLZZHJH-KRWDZBQOSA-N 2 0 384.484 0.929 20 0 GCADRP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514667620 1194893167 /nfs/dbraw/zinc/89/31/67/1194893167.db2.gz CGFLZPYHTYLASV-LWYYNNOASA-N 2 0 382.508 0.645 20 0 GCADRP CCOc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414867094 1194893765 /nfs/dbraw/zinc/89/37/65/1194893765.db2.gz OBBCHBJSFNIKKT-INIZCTEOSA-N 2 0 378.517 0.936 20 0 GCADRP C[NH+](C)CCN(C(=O)[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)C2CC2)O1)C1CC1 ZINC000505632472 1194899239 /nfs/dbraw/zinc/89/92/39/1194899239.db2.gz OBWQAHNUTQEYBX-QZTJIDSGSA-N 2 0 380.533 0.639 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000514727013 1194900504 /nfs/dbraw/zinc/90/05/04/1194900504.db2.gz MOZCYXXFESQLEL-RRFJBIMHSA-N 2 0 393.507 0.997 20 0 GCADRP CC1CC[NH+](CCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000514827093 1194915587 /nfs/dbraw/zinc/91/55/87/1194915587.db2.gz HTVBXNCBDGNKFR-UHFFFAOYSA-N 2 0 381.565 0.367 20 0 GCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000283679915 1194928757 /nfs/dbraw/zinc/92/87/57/1194928757.db2.gz FVJVLXXIENKXAM-INIZCTEOSA-N 2 0 391.516 0.629 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCN1C1CC[NH+](C)CC1 ZINC000425378301 1194930945 /nfs/dbraw/zinc/93/09/45/1194930945.db2.gz BXGVKCZJJYWTLV-ZIFCJYIRSA-N 2 0 391.560 0.166 20 0 GCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)[C@@H]2C1 ZINC000425378743 1194931077 /nfs/dbraw/zinc/93/10/77/1194931077.db2.gz CEHWQXGBGLHSBK-ZWKOTPCHSA-N 2 0 378.517 0.110 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[NH+](C)C[C@H]43)CC2)CCO1 ZINC000425385714 1194936420 /nfs/dbraw/zinc/93/64/20/1194936420.db2.gz KYBHVKAXBUNUFZ-SOLBZPMBSA-N 2 0 378.517 0.251 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000425403763 1194959214 /nfs/dbraw/zinc/95/92/14/1194959214.db2.gz ONYKZGJTQDZTCT-FCGDIQPGSA-N 2 0 391.560 0.023 20 0 GCADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000638140605 1194967220 /nfs/dbraw/zinc/96/72/20/1194967220.db2.gz NTKAGUCUIDCYDL-LPHOPBHVSA-N 2 0 376.505 0.262 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000285318499 1194980297 /nfs/dbraw/zinc/98/02/97/1194980297.db2.gz WVIRNXGCNWHWFK-GOSISDBHSA-N 2 0 378.517 0.360 20 0 GCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000436125506 1194986314 /nfs/dbraw/zinc/98/63/14/1194986314.db2.gz BEDVMRAVAUXLJW-IRXDYDNUSA-N 2 0 397.564 0.416 20 0 GCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000436125504 1194986390 /nfs/dbraw/zinc/98/63/90/1194986390.db2.gz BEDVMRAVAUXLJW-DLBZAZTESA-N 2 0 397.564 0.416 20 0 GCADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000515645317 1194989473 /nfs/dbraw/zinc/98/94/73/1194989473.db2.gz WBUUAVAVEWXMRU-HNNXBMFYSA-N 2 0 378.473 0.166 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000505802245 1194998729 /nfs/dbraw/zinc/99/87/29/1194998729.db2.gz OISAGSUAYWFQHW-INIZCTEOSA-N 2 0 395.548 0.972 20 0 GCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515846079 1195001769 /nfs/dbraw/zinc/00/17/69/1195001769.db2.gz BRNNOHIBJFPRCI-CABCVRRESA-N 2 0 380.514 0.902 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000516164663 1195028705 /nfs/dbraw/zinc/02/87/05/1195028705.db2.gz UHJRYMKXDWUHRY-GOSISDBHSA-N 2 0 380.533 0.549 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000288003413 1195046700 /nfs/dbraw/zinc/04/67/00/1195046700.db2.gz BXGDZRVVPKIHPW-SJLPKXTDSA-N 2 0 376.476 0.926 20 0 GCADRP O=c1nc([C@@H]2CCC[NH+](C/C=C/C[N@H+]3CCC[C@H](c4nc(=O)[nH][nH]4)C3)C2)[nH][nH]1 ZINC000289494630 1195099850 /nfs/dbraw/zinc/09/98/50/1195099850.db2.gz SWWPYQWCHMFYDK-CZMZKRSCSA-N 2 0 388.476 0.125 20 0 GCADRP COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414904512 1195108826 /nfs/dbraw/zinc/10/88/26/1195108826.db2.gz LXJBJUQYWCPUGG-AWEZNQCLSA-N 2 0 392.456 0.058 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000549990872 1195109237 /nfs/dbraw/zinc/10/92/37/1195109237.db2.gz GHCDFKQUBWQMFC-UHFFFAOYSA-N 2 0 382.549 0.981 20 0 GCADRP COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414913001 1195149432 /nfs/dbraw/zinc/14/94/32/1195149432.db2.gz ZFUSURSDFLTPFS-UONOGXRCSA-N 2 0 376.457 0.741 20 0 GCADRP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897844 1195157001 /nfs/dbraw/zinc/15/70/01/1195157001.db2.gz WKYJFPVFALAGBK-OAHLLOKOSA-N 2 0 385.534 0.892 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC4(C[C@@H]3C)CC[NH2+]CC4)C2)CC1 ZINC000517358517 1195173446 /nfs/dbraw/zinc/17/34/46/1195173446.db2.gz GHHUUYTWVUYZEE-ROUUACIJSA-N 2 0 391.560 0.215 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000664678681 1195187453 /nfs/dbraw/zinc/18/74/53/1195187453.db2.gz VNVLGDVCTGHNTG-MRXNPFEDSA-N 2 0 376.505 0.621 20 0 GCADRP COC[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000438353490 1195210892 /nfs/dbraw/zinc/21/08/92/1195210892.db2.gz BRMNNRADOCIYAK-ILOCAZANSA-N 2 0 382.549 0.979 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000550002350 1195220699 /nfs/dbraw/zinc/22/06/99/1195220699.db2.gz RVBOUYAWLPXCMQ-ROUUACIJSA-N 2 0 394.560 0.861 20 0 GCADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@@H](C(=O)NCC3([NH+](C)C)CCC3)O2)CCC1 ZINC000438540066 1195225299 /nfs/dbraw/zinc/22/52/99/1195225299.db2.gz YZKPKPNSOXHANT-IYBDPMFKSA-N 2 0 380.533 0.735 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000517974516 1195233038 /nfs/dbraw/zinc/23/30/38/1195233038.db2.gz YNJNKHCPPVOAKU-RBUKOAKNSA-N 2 0 391.560 0.215 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)n1 ZINC000438705055 1195239825 /nfs/dbraw/zinc/23/98/25/1195239825.db2.gz KQRAZTCTGPRRSW-MRXNPFEDSA-N 2 0 390.488 1.390 20 0 GCADRP CC(C)C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)N1CCOCC1 ZINC000518081825 1195246612 /nfs/dbraw/zinc/24/66/12/1195246612.db2.gz YRVRULBXUIOYJN-IRXDYDNUSA-N 2 0 383.537 0.372 20 0 GCADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000414969345 1195270276 /nfs/dbraw/zinc/27/02/76/1195270276.db2.gz FBQRCZDERPCCGL-KRWDZBQOSA-N 2 0 387.484 0.110 20 0 GCADRP CN1CCN(c2ncc(C[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cn2)CC1 ZINC000414973650 1195274759 /nfs/dbraw/zinc/27/47/59/1195274759.db2.gz KPMXPARPDBRTIP-OAHLLOKOSA-N 2 0 387.454 0.154 20 0 GCADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000506467179 1195276969 /nfs/dbraw/zinc/27/69/69/1195276969.db2.gz FNTJOELLUBVUDA-LJQANCHMSA-N 2 0 378.521 0.206 20 0 GCADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000414975454 1195277531 /nfs/dbraw/zinc/27/75/31/1195277531.db2.gz LRCLHQMGKPLTNT-WMLDXEAASA-N 2 0 387.484 0.410 20 0 GCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000518491014 1195294957 /nfs/dbraw/zinc/29/49/57/1195294957.db2.gz LLSSVBCZNMHSFM-SFHVURJKSA-N 2 0 388.512 0.773 20 0 GCADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296492858 1195309771 /nfs/dbraw/zinc/30/97/71/1195309771.db2.gz SJWVAOHDLJGPNW-SFHVURJKSA-N 2 0 375.517 0.557 20 0 GCADRP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000426385645 1195320538 /nfs/dbraw/zinc/32/05/38/1195320538.db2.gz PRKCHYDIJAVQPF-YZGWKJHDSA-N 2 0 390.528 0.889 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000518938728 1195347384 /nfs/dbraw/zinc/34/73/84/1195347384.db2.gz IFSPUBZYPNRDTO-QGZVFWFLSA-N 2 0 389.500 0.563 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000518979956 1195354635 /nfs/dbraw/zinc/35/46/35/1195354635.db2.gz XTUHNDOSWPZJEK-WBVHZDCISA-N 2 0 382.486 0.101 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000550093751 1195433255 /nfs/dbraw/zinc/43/32/55/1195433255.db2.gz FGCARBVNKZDYFU-FGTMMUONSA-N 2 0 382.549 0.696 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550092954 1195434104 /nfs/dbraw/zinc/43/41/04/1195434104.db2.gz AVHIJGXILZQGPO-SFHVURJKSA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000550098544 1195434423 /nfs/dbraw/zinc/43/44/23/1195434423.db2.gz WFVCTCSWIJSFGT-MOPGFXCFSA-N 2 0 396.576 0.944 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550095285 1195435618 /nfs/dbraw/zinc/43/56/18/1195435618.db2.gz GCTAMXYCZXPQGI-ROUUACIJSA-N 2 0 382.549 0.650 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000550096912 1195435665 /nfs/dbraw/zinc/43/56/65/1195435665.db2.gz NMQHFNNPOUXQLD-ZWKOTPCHSA-N 2 0 382.549 0.792 20 0 GCADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000550137524 1195447054 /nfs/dbraw/zinc/44/70/54/1195447054.db2.gz FEIYDEFQLZDQHS-SJLPKXTDSA-N 2 0 380.533 0.737 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)N1CCOCC1 ZINC000550275739 1195474866 /nfs/dbraw/zinc/47/48/66/1195474866.db2.gz DGIVUPUYSVDCOI-SJORKVTESA-N 2 0 382.549 0.696 20 0 GCADRP CC[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000519593200 1195500465 /nfs/dbraw/zinc/50/04/65/1195500465.db2.gz XRUIPLZUEVNIQE-OALUTQOASA-N 2 0 387.528 0.041 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507194112 1195502769 /nfs/dbraw/zinc/50/27/69/1195502769.db2.gz IVMKCTZZDBORMH-MRXNPFEDSA-N 2 0 386.456 0.775 20 0 GCADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000427107668 1195507819 /nfs/dbraw/zinc/50/78/19/1195507819.db2.gz LMJJAFQPHUIRMI-UHFFFAOYSA-N 2 0 398.511 1.466 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000507394223 1195515238 /nfs/dbraw/zinc/51/52/38/1195515238.db2.gz YLDABJGQOYEIER-UHFFFAOYSA-N 2 0 378.492 0.874 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000519614268 1195543111 /nfs/dbraw/zinc/54/31/11/1195543111.db2.gz YBTMPRNLPOKBOI-MLYOOKFZSA-N 2 0 392.544 0.674 20 0 GCADRP C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883776 1195551489 /nfs/dbraw/zinc/55/14/89/1195551489.db2.gz MUPDWNFYGLLBMW-VQTPCSAVSA-N 2 0 395.548 0.478 20 0 GCADRP CC(C)(O)C[NH+]1CC[C@H](Nc2nccc(N[C@H]3CC[N@@H+](CC(C)(C)O)C3)n2)C1 ZINC000894865584 1195553474 /nfs/dbraw/zinc/55/34/74/1195553474.db2.gz IWSHLHQSZAVJJQ-HOTGVXAUSA-N 2 0 392.548 0.991 20 0 GCADRP CN1CC[N@@H+](CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000519633183 1195559963 /nfs/dbraw/zinc/55/99/63/1195559963.db2.gz VQEISMHXCLESOE-PMACEKPBSA-N 2 0 388.560 0.650 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000519695312 1195565457 /nfs/dbraw/zinc/56/54/57/1195565457.db2.gz JUCIGPDVKQRTPJ-GOSISDBHSA-N 2 0 379.549 0.962 20 0 GCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)Cc2ccccc2C1 ZINC000520375453 1195626360 /nfs/dbraw/zinc/62/63/60/1195626360.db2.gz CPGQUEIIWQAMEJ-SFHVURJKSA-N 2 0 387.528 0.582 20 0 GCADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)Cc2ccccc2C1 ZINC000520375452 1195626631 /nfs/dbraw/zinc/62/66/31/1195626631.db2.gz CPGQUEIIWQAMEJ-GOSISDBHSA-N 2 0 387.528 0.582 20 0 GCADRP CC(C)Nc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc(NCCO)[nH+]1 ZINC000550345069 1195638603 /nfs/dbraw/zinc/63/86/03/1195638603.db2.gz FREKJTFSAPIQOE-AWEZNQCLSA-N 2 0 375.477 0.204 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550348733 1195639550 /nfs/dbraw/zinc/63/95/50/1195639550.db2.gz ONEZAZLOZUWMNY-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550348734 1195639649 /nfs/dbraw/zinc/63/96/49/1195639649.db2.gz ONEZAZLOZUWMNY-QGZVFWFLSA-N 2 0 382.549 0.936 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000550364306 1195644122 /nfs/dbraw/zinc/64/41/22/1195644122.db2.gz LOUPERITKHRGSN-MSOLQXFVSA-N 2 0 382.549 0.840 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000550364307 1195644400 /nfs/dbraw/zinc/64/44/00/1195644400.db2.gz LOUPERITKHRGSN-QZTJIDSGSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000550364997 1195644515 /nfs/dbraw/zinc/64/45/15/1195644515.db2.gz PKODZJFZDAQSCP-QGZVFWFLSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000550380856 1195648733 /nfs/dbraw/zinc/64/87/33/1195648733.db2.gz BJZVTUJMMLBMOD-ROUUACIJSA-N 2 0 397.608 0.857 20 0 GCADRP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978449 1195658626 /nfs/dbraw/zinc/65/86/26/1195658626.db2.gz SEZXLXCRJUJNHK-QZTJIDSGSA-N 2 0 388.512 0.879 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)NCCCC[NH+]3CCN(C)CC3)CC2)CC1 ZINC000520472583 1195750701 /nfs/dbraw/zinc/75/07/01/1195750701.db2.gz CAMYZAREVGTYNS-UHFFFAOYSA-N 2 0 394.608 0.872 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000189767074 1195753410 /nfs/dbraw/zinc/75/34/10/1195753410.db2.gz BZXRLZACMWXMIM-UHFFFAOYSA-N 2 0 375.517 0.783 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000520551491 1195785097 /nfs/dbraw/zinc/78/50/97/1195785097.db2.gz DHGKSMCZAFMCAD-IAGOWNOFSA-N 2 0 383.537 0.230 20 0 GCADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000182982050 1195792330 /nfs/dbraw/zinc/79/23/30/1195792330.db2.gz NDJLOUGIWKMPPO-UHFFFAOYSA-N 2 0 380.533 0.502 20 0 GCADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)([NH+](C)C)C1 ZINC000520620628 1195803804 /nfs/dbraw/zinc/80/38/04/1195803804.db2.gz IIGBTZZDFJONRZ-NQIIRXRSSA-N 2 0 395.592 0.757 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000520629278 1195806027 /nfs/dbraw/zinc/80/60/27/1195806027.db2.gz DSKFOLVNXBYGPH-KRWDZBQOSA-N 2 0 382.549 0.698 20 0 GCADRP Cc1nc(N2CCC([NH2+]CCO)CC2)c(N2CCC([NH2+]CCO)CC2)nc1C ZINC000520736563 1195841146 /nfs/dbraw/zinc/84/11/46/1195841146.db2.gz ZZJNZLKZKDXJJH-UHFFFAOYSA-N 2 0 392.548 0.195 20 0 GCADRP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[C@H](C(=O)N(C)CC[N@H+](C)C2CC2)O1 ZINC000427821117 1195881951 /nfs/dbraw/zinc/88/19/51/1195881951.db2.gz AQEHVPSIJCEHJZ-QZTJIDSGSA-N 2 0 380.533 0.639 20 0 GCADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000550458391 1195980047 /nfs/dbraw/zinc/98/00/47/1195980047.db2.gz SMDGCYADDBRAFH-SFHVURJKSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000550457965 1195980615 /nfs/dbraw/zinc/98/06/15/1195980615.db2.gz JOMYTNANFOTWCX-IRXDYDNUSA-N 2 0 382.549 0.696 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000550457747 1195984174 /nfs/dbraw/zinc/98/41/74/1195984174.db2.gz NFXNIVGVXBRILG-MOPGFXCFSA-N 2 0 394.560 0.936 20 0 GCADRP CCCn1cc(CN2CCCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000521363756 1195991596 /nfs/dbraw/zinc/99/15/96/1195991596.db2.gz MUWGUAMIWWOYTF-SFHVURJKSA-N 2 0 377.537 0.414 20 0 GCADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000443061648 1196017694 /nfs/dbraw/zinc/01/76/94/1196017694.db2.gz RWZLDYLCRYJABO-SOUVJXGZSA-N 2 0 382.530 0.961 20 0 GCADRP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443059348 1196018722 /nfs/dbraw/zinc/01/87/22/1196018722.db2.gz MNNJHJIAZWEVJH-HNNXBMFYSA-N 2 0 386.504 0.073 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000521993146 1196032807 /nfs/dbraw/zinc/03/28/07/1196032807.db2.gz JTCSLXARDKYTLG-GOSISDBHSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000522002288 1196034676 /nfs/dbraw/zinc/03/46/76/1196034676.db2.gz RCRUHFRNMSDLOT-GJZGRUSLSA-N 2 0 376.501 0.502 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550468056 1196045190 /nfs/dbraw/zinc/04/51/90/1196045190.db2.gz ARELSCZLHNNXKH-UHFFFAOYSA-N 2 0 395.592 0.853 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)[C@@H]2CC)CC[NH+]1C ZINC001087578649 1196050206 /nfs/dbraw/zinc/05/02/06/1196050206.db2.gz HMESPBGNAQWESC-CAOSSQGBSA-N 2 0 379.505 0.238 20 0 GCADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000550494181 1196056418 /nfs/dbraw/zinc/05/64/18/1196056418.db2.gz CVPWVBILSYLENT-UHFFFAOYSA-N 2 0 380.533 0.549 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000550515032 1196070704 /nfs/dbraw/zinc/07/07/04/1196070704.db2.gz RRTVOXBWKPWTCT-UHFFFAOYSA-N 2 0 381.565 0.461 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000550519384 1196071603 /nfs/dbraw/zinc/07/16/03/1196071603.db2.gz NPXUBIWGRVYADP-AEFFLSMTSA-N 2 0 381.565 0.460 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1=O ZINC000247516125 1196081500 /nfs/dbraw/zinc/08/15/00/1196081500.db2.gz NQMNONDIYLYDQZ-BPQIPLTHSA-N 2 0 380.533 0.281 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000550550344 1196083173 /nfs/dbraw/zinc/08/31/73/1196083173.db2.gz FDDRDBJPXFSFEY-KRWDZBQOSA-N 2 0 381.565 0.365 20 0 GCADRP C[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)(N2CCOCC2)CC1 ZINC000895333953 1196083359 /nfs/dbraw/zinc/08/33/59/1196083359.db2.gz MJPBEJOLPWSGFM-ROUUACIJSA-N 2 0 379.549 0.661 20 0 GCADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000522409639 1196092695 /nfs/dbraw/zinc/09/26/95/1196092695.db2.gz LDZKEZLWPGMITF-UHFFFAOYSA-N 2 0 381.565 0.955 20 0 GCADRP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000895629292 1196105334 /nfs/dbraw/zinc/10/53/34/1196105334.db2.gz PRGQKESXLAQSTD-LJQANCHMSA-N 2 0 376.501 0.967 20 0 GCADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474314373 1196109050 /nfs/dbraw/zinc/10/90/50/1196109050.db2.gz SRBDUZOSHNLIOC-COXVUDFISA-N 2 0 380.439 0.785 20 0 GCADRP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[NH+](C)[C@@H]3C)nc(N3CCOCC3)n2)CC[N@@H+]1C ZINC000895737473 1196111065 /nfs/dbraw/zinc/11/10/65/1196111065.db2.gz WDOLNDKJBKZWRD-FPCVCCKLSA-N 2 0 390.536 0.717 20 0 GCADRP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC000840298476 1196115547 /nfs/dbraw/zinc/11/55/47/1196115547.db2.gz KJTINTAEQIMDTK-DOTOQJQBSA-N 2 0 382.505 0.376 20 0 GCADRP CCCCn1c(N)c(N(CC)C(=O)CN2CC[C@H]([C@@H](C)[NH3+])C2)c(=O)[nH]c1=O ZINC000519828681 1196144793 /nfs/dbraw/zinc/14/47/93/1196144793.db2.gz XMMNPGAVEHLUFE-OLZOCXBDSA-N 2 0 380.493 0.353 20 0 GCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896468164 1196149489 /nfs/dbraw/zinc/14/94/89/1196149489.db2.gz NBKQBZWWTDMKJL-GBESFXJTSA-N 2 0 379.549 0.661 20 0 GCADRP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000329187390 1196173542 /nfs/dbraw/zinc/17/35/42/1196173542.db2.gz GUKAHCHOYJMMFR-DQCOHUIHSA-N 2 0 392.544 0.518 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281646185 1196317726 /nfs/dbraw/zinc/31/77/26/1196317726.db2.gz RKJKAWPQGUFMLG-MRXNPFEDSA-N 2 0 382.530 0.822 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000104102798 1196379172 /nfs/dbraw/zinc/37/91/72/1196379172.db2.gz NJPYHKVGQFOQSR-UHFFFAOYSA-N 2 0 382.530 0.927 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000104532933 1196385060 /nfs/dbraw/zinc/38/50/60/1196385060.db2.gz XNOBEGYSFOZOEN-UHFFFAOYSA-N 2 0 375.473 0.032 20 0 GCADRP Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104533884 1196385481 /nfs/dbraw/zinc/38/54/81/1196385481.db2.gz CCWQFWBMVDDODL-UHFFFAOYSA-N 2 0 376.505 0.936 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000104533168 1196385772 /nfs/dbraw/zinc/38/57/72/1196385772.db2.gz PLBXRKCCDLBZJJ-UHFFFAOYSA-N 2 0 388.520 0.293 20 0 GCADRP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000516275155 1196390817 /nfs/dbraw/zinc/39/08/17/1196390817.db2.gz OPQZHOQZVKHGEE-JTQLQIEISA-N 2 0 388.394 0.900 20 0 GCADRP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643419504 1196396130 /nfs/dbraw/zinc/39/61/30/1196396130.db2.gz WAFWUASOKGJNKJ-QZTJIDSGSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643419503 1196396194 /nfs/dbraw/zinc/39/61/94/1196396194.db2.gz WAFWUASOKGJNKJ-MSOLQXFVSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897179601 1196402381 /nfs/dbraw/zinc/40/23/81/1196402381.db2.gz PLTIHHUKVXDOEZ-OALUTQOASA-N 2 0 388.512 0.112 20 0 GCADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000665712769 1196446260 /nfs/dbraw/zinc/44/62/60/1196446260.db2.gz KZOKWHWKKADJLC-GOSISDBHSA-N 2 0 381.565 0.814 20 0 GCADRP CC(CC(=O)NCC[NH+]1CCCOCC1)CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000444375848 1196447990 /nfs/dbraw/zinc/44/79/90/1196447990.db2.gz JSIGTBQZXFSAJH-UHFFFAOYSA-N 2 0 398.548 0.080 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000665727940 1196449873 /nfs/dbraw/zinc/44/98/73/1196449873.db2.gz NYMIVJZTJAFODO-SFHVURJKSA-N 2 0 381.565 0.957 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000523914648 1196567380 /nfs/dbraw/zinc/56/73/80/1196567380.db2.gz JZGVLPZWJMYFHS-KZNAEPCWSA-N 2 0 397.564 0.728 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000524139936 1196578227 /nfs/dbraw/zinc/57/82/27/1196578227.db2.gz HAZHNLAHQUQIOK-MRXNPFEDSA-N 2 0 383.537 0.515 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524619483 1196611171 /nfs/dbraw/zinc/61/11/71/1196611171.db2.gz UPIWPVYUVVTEQE-ZWKOTPCHSA-N 2 0 397.564 0.321 20 0 GCADRP CC[NH+](C)C[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000524698786 1196615820 /nfs/dbraw/zinc/61/58/20/1196615820.db2.gz YDLMTVWRQOXWSB-HDICACEKSA-N 2 0 382.549 0.603 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000446365048 1196637954 /nfs/dbraw/zinc/63/79/54/1196637954.db2.gz YQNBNRNPYNQKLK-ZKNHNOBHSA-N 2 0 380.533 0.578 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446368041 1196638433 /nfs/dbraw/zinc/63/84/33/1196638433.db2.gz BWWUUIDKTBWFNT-OXFYSEKESA-N 2 0 380.533 0.578 20 0 GCADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000446371162 1196638520 /nfs/dbraw/zinc/63/85/20/1196638520.db2.gz OJUHBNURKLEPBU-IDHHARJASA-N 2 0 392.504 0.032 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000525303290 1196666315 /nfs/dbraw/zinc/66/63/15/1196666315.db2.gz QEGDMCPZGYEAQB-INIZCTEOSA-N 2 0 397.564 0.762 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000525449458 1196682786 /nfs/dbraw/zinc/68/27/86/1196682786.db2.gz HJGRUCUXXPABBS-UHFFFAOYSA-N 2 0 396.536 0.376 20 0 GCADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000525802671 1196710568 /nfs/dbraw/zinc/71/05/68/1196710568.db2.gz IJCKDHORHDFNEL-SFHVURJKSA-N 3 0 380.533 0.642 20 0 GCADRP C[NH+]1CCN(C[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)c2ccccc2)CC1 ZINC000526096352 1196742467 /nfs/dbraw/zinc/74/24/67/1196742467.db2.gz WIGMLTXLUGGTMO-HXUWFJFHSA-N 2 0 389.544 0.997 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)NCC[N@@H+]2CCCOCC2)c2ccccc2)CC1 ZINC000526096351 1196742525 /nfs/dbraw/zinc/74/25/25/1196742525.db2.gz WIGMLTXLUGGTMO-FQEVSTJZSA-N 2 0 389.544 0.997 20 0 GCADRP COC(=O)c1cc(F)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527124233 1196767574 /nfs/dbraw/zinc/76/75/74/1196767574.db2.gz AESFTEHLCFEFCA-UHFFFAOYSA-N 2 0 382.436 0.503 20 0 GCADRP COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527374032 1196784207 /nfs/dbraw/zinc/78/42/07/1196784207.db2.gz CYDLPYYCPRODSF-UHFFFAOYSA-N 2 0 378.473 0.672 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000527373815 1196784637 /nfs/dbraw/zinc/78/46/37/1196784637.db2.gz MLSAUCUUUMRNRV-UHFFFAOYSA-N 2 0 390.488 0.320 20 0 GCADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000671071936 1196891688 /nfs/dbraw/zinc/89/16/88/1196891688.db2.gz WLVITBLRYLZSGD-APWZRJJASA-N 2 0 376.526 0.843 20 0 GCADRP CC(C)[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000371663073 1196913510 /nfs/dbraw/zinc/91/35/10/1196913510.db2.gz FOFCZJWVYKFILD-UXHICEINSA-N 2 0 394.608 0.680 20 0 GCADRP C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000529304279 1196915166 /nfs/dbraw/zinc/91/51/66/1196915166.db2.gz PIRZVJCPVVGBPR-ZBFHGGJFSA-N 2 0 379.480 0.926 20 0 GCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529339331 1196916196 /nfs/dbraw/zinc/91/61/96/1196916196.db2.gz OJXRMFGNIVELEY-GOSISDBHSA-N 2 0 388.516 0.601 20 0 GCADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000529382210 1196919080 /nfs/dbraw/zinc/91/90/80/1196919080.db2.gz CKVUWLCAUXANIZ-PMACEKPBSA-N 2 0 387.528 0.577 20 0 GCADRP CN(Cc1cc(C[N@H+](C)[C@]2(CO)CCOC2)ccc1F)[C@]1(CO)CCOC1 ZINC000450706867 1196949246 /nfs/dbraw/zinc/94/92/46/1196949246.db2.gz GSBMGGNHCOPOPG-PMACEKPBSA-N 2 0 382.476 0.992 20 0 GCADRP CNc1nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000450834319 1196956935 /nfs/dbraw/zinc/95/69/35/1196956935.db2.gz ZLNAMPRKIQYNBI-DBPPKFAGSA-N 3 0 386.548 0.253 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000530576820 1196996374 /nfs/dbraw/zinc/99/63/74/1196996374.db2.gz PUKOHESHLZZMNY-IRLDBZIGSA-N 2 0 386.540 0.862 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000530629986 1197000964 /nfs/dbraw/zinc/00/09/64/1197000964.db2.gz ANEXCESYVMLCJU-VAMGGRTRSA-N 2 0 389.544 0.414 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000530880584 1197022985 /nfs/dbraw/zinc/02/29/85/1197022985.db2.gz NCGYZMVFFIJYIC-UHFFFAOYSA-N 2 0 382.530 0.693 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000451992565 1197030099 /nfs/dbraw/zinc/03/00/99/1197030099.db2.gz UEBLVYHKRNEETN-UHFFFAOYSA-N 2 0 383.581 0.219 20 0 GCADRP C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000531118493 1197047878 /nfs/dbraw/zinc/04/78/78/1197047878.db2.gz IEYHRIOYSHZWNI-KXBFYZLASA-N 2 0 381.521 0.439 20 0 GCADRP Cc1ccc(S(=O)(=O)NCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000531357239 1197067238 /nfs/dbraw/zinc/06/72/38/1197067238.db2.gz GOXJMQRRMZXJLE-UHFFFAOYSA-N 2 0 398.573 0.924 20 0 GCADRP COc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1N1CCNC1=O ZINC000531357842 1197067782 /nfs/dbraw/zinc/06/77/82/1197067782.db2.gz PPPDVWXRRBKKEC-UHFFFAOYSA-N 2 0 377.489 0.790 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000531394026 1197070393 /nfs/dbraw/zinc/07/03/93/1197070393.db2.gz UFOLPFGKUWZTSH-QGZVFWFLSA-N 2 0 395.548 0.293 20 0 GCADRP CNc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000531569530 1197085167 /nfs/dbraw/zinc/08/51/67/1197085167.db2.gz KTSFOVHXDJPBNH-IAGOWNOFSA-N 2 0 386.548 0.684 20 0 GCADRP CNc1nc(N2CC[C@H]([NH+]3CCCC3)C2)nc(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000531569531 1197085275 /nfs/dbraw/zinc/08/52/75/1197085275.db2.gz KTSFOVHXDJPBNH-IRXDYDNUSA-N 2 0 386.548 0.684 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000532027651 1197107275 /nfs/dbraw/zinc/10/72/75/1197107275.db2.gz ZIHOYILOPKJJQD-RTBURBONSA-N 2 0 381.565 0.689 20 0 GCADRP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCN(C)CC1 ZINC000532281218 1197137931 /nfs/dbraw/zinc/13/79/31/1197137931.db2.gz ITLICIGQDIYPKD-UFYCRDLUSA-N 2 0 395.592 0.935 20 0 GCADRP COCc1ccc(CNC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000360019200 1197155431 /nfs/dbraw/zinc/15/54/31/1197155431.db2.gz RFSZELHKYCVCTO-UHFFFAOYSA-N 2 0 391.512 0.608 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000532375510 1197161492 /nfs/dbraw/zinc/16/14/92/1197161492.db2.gz XQUFQKBABUSFNX-OAQYLSRUSA-N 2 0 375.513 0.975 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@@H]3C2)O1 ZINC000986283499 1197162475 /nfs/dbraw/zinc/16/24/75/1197162475.db2.gz QUEOXGPLOYEKAD-VXIBKDFQSA-N 2 0 392.544 0.497 20 0 GCADRP [NH3+]CCCn1cc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000645598361 1197180116 /nfs/dbraw/zinc/18/01/16/1197180116.db2.gz ULZXLTQEXZGQOK-UHFFFAOYSA-N 2 0 385.516 0.959 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000177149435 1197188509 /nfs/dbraw/zinc/18/85/09/1197188509.db2.gz ZOUPCOHWKQAMNO-MJGOQNOKSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178738803 1197194822 /nfs/dbraw/zinc/19/48/22/1197194822.db2.gz FCINKEPIUWWBIC-QRQLOZEOSA-N 2 0 381.565 0.689 20 0 GCADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000897420641 1197244333 /nfs/dbraw/zinc/24/43/33/1197244333.db2.gz WGFXRBKTHCTALZ-UHFFFAOYSA-N 2 0 395.592 0.853 20 0 GCADRP C[NH+]1CCC(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)(N2CCOCC2)CC1 ZINC000666407231 1197273379 /nfs/dbraw/zinc/27/33/79/1197273379.db2.gz DQAMVRYKWKTESW-UHFFFAOYSA-N 2 0 396.557 0.944 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000104363024 1197295242 /nfs/dbraw/zinc/29/52/42/1197295242.db2.gz IUNXAYSOOVVFJN-INIZCTEOSA-N 2 0 388.516 0.748 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000151462414 1197297570 /nfs/dbraw/zinc/29/75/70/1197297570.db2.gz RQOQBOBGGRZMGU-INIZCTEOSA-N 2 0 377.493 0.215 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729610178 1197308496 /nfs/dbraw/zinc/30/84/96/1197308496.db2.gz DODWOKQGHXQQBE-ZACQAIPSSA-N 2 0 381.521 0.092 20 0 GCADRP C[C@@H]1CN(C(=O)NCc2cnc(N(C)C)n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536544462 1197356714 /nfs/dbraw/zinc/35/67/14/1197356714.db2.gz IQWFVEUKAFHFNT-NVXWUHKLSA-N 2 0 377.537 0.654 20 0 GCADRP C[C@@H](C(=O)Nc1ccc(CCN(CCO)C(=O)[C@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000614842896 1197386761 /nfs/dbraw/zinc/38/67/61/1197386761.db2.gz VKTMQGLNRGRHKD-HOTGVXAUSA-N 2 0 378.517 0.889 20 0 GCADRP O=C1C[C@@]2(CN1)CCC[NH+](CCOCC[N@H+]1CCC[C@@]3(CNC(=O)C3)C1)C2 ZINC000532717389 1197396643 /nfs/dbraw/zinc/39/66/43/1197396643.db2.gz XOLUXKXMUFYPOV-WOJBJXKFSA-N 2 0 378.517 0.207 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088579518 1197397927 /nfs/dbraw/zinc/39/79/27/1197397927.db2.gz MQXMHJGQRIHZDG-FXUDXRNXSA-N 2 0 393.532 0.626 20 0 GCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418942872 1197405090 /nfs/dbraw/zinc/40/50/90/1197405090.db2.gz BESHLBFYYYJARK-GOSISDBHSA-N 2 0 388.512 0.893 20 0 GCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419121004 1197411172 /nfs/dbraw/zinc/41/11/72/1197411172.db2.gz MACLVUHSQYJVRR-IRXDYDNUSA-N 2 0 395.548 0.213 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)CC1=O ZINC000245756694 1197429972 /nfs/dbraw/zinc/42/99/72/1197429972.db2.gz YMTAZPMVCNMMPW-QRVBRYPASA-N 2 0 394.560 0.672 20 0 GCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245941175 1197440300 /nfs/dbraw/zinc/44/03/00/1197440300.db2.gz UWGLOCDISNDNOG-ROUUACIJSA-N 2 0 380.533 0.642 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000171300304 1197468552 /nfs/dbraw/zinc/46/85/52/1197468552.db2.gz MHJYRUYDKQACGV-SFHVURJKSA-N 2 0 396.557 0.963 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246415779 1197469403 /nfs/dbraw/zinc/46/94/03/1197469403.db2.gz LOBWZXRCBBPEDI-CEXWTWQISA-N 2 0 393.576 0.319 20 0 GCADRP C(C[NH+]1CC[C@@H](CN2CCOCC2)C1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246924952 1197475148 /nfs/dbraw/zinc/47/51/48/1197475148.db2.gz QETJNDZFZGWLQV-NHCUHLMSSA-N 2 0 380.577 0.685 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000248372170 1197478743 /nfs/dbraw/zinc/47/87/43/1197478743.db2.gz ZOUPCOHWKQAMNO-HKUYNNGSSA-N 2 0 393.576 0.461 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1=O ZINC000249296697 1197482475 /nfs/dbraw/zinc/48/24/75/1197482475.db2.gz MPAFHPKTAPXSLA-GUDVDZBRSA-N 2 0 393.576 0.461 20 0 GCADRP NC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212076688 1197501569 /nfs/dbraw/zinc/50/15/69/1197501569.db2.gz OLOOZUQYEOHYIZ-WFASDCNBSA-N 2 0 399.455 0.034 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000666796333 1197504588 /nfs/dbraw/zinc/50/45/88/1197504588.db2.gz XMFVNPLBQCLXAO-QGZVFWFLSA-N 2 0 385.512 0.509 20 0 GCADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000261743398 1197512912 /nfs/dbraw/zinc/51/29/12/1197512912.db2.gz PKSNCQMSEZWKAG-SFHVURJKSA-N 2 0 383.514 0.757 20 0 GCADRP C[C@@]1(C[NH3+])CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000261828658 1197515972 /nfs/dbraw/zinc/51/59/72/1197515972.db2.gz YLZHIUPPKLNJHM-SFHVURJKSA-N 2 0 398.504 0.329 20 0 GCADRP CS(=O)(=O)C1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000262027357 1197522741 /nfs/dbraw/zinc/52/27/41/1197522741.db2.gz BCKCNUPPSOUGSD-QGZVFWFLSA-N 2 0 379.526 0.934 20 0 GCADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000262127796 1197526102 /nfs/dbraw/zinc/52/61/02/1197526102.db2.gz NTBYSSYRLNYSDX-UHFFFAOYSA-N 2 0 375.473 0.727 20 0 GCADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262303581 1197529212 /nfs/dbraw/zinc/52/92/12/1197529212.db2.gz BXFFYDQYKQFYNM-IEBWSBKVSA-N 2 0 386.496 0.170 20 0 GCADRP C[NH+](C)CCOc1ccccc1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262431868 1197531086 /nfs/dbraw/zinc/53/10/86/1197531086.db2.gz TVRAXWNSURLJJM-UHFFFAOYSA-N 2 0 383.514 0.410 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1 ZINC000262388551 1197531339 /nfs/dbraw/zinc/53/13/39/1197531339.db2.gz NYBFCTNZSOLPJM-UHFFFAOYSA-N 2 0 383.514 0.410 20 0 GCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000572404597 1197549662 /nfs/dbraw/zinc/54/96/62/1197549662.db2.gz PTIIOIRRLQSLBV-SCTDSRPQSA-N 2 0 389.544 0.723 20 0 GCADRP C[C@H]1COCCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001768 1198995880 /nfs/dbraw/zinc/99/58/80/1198995880.db2.gz DXNXFGHKQLUMKP-KRWDZBQOSA-N 2 0 389.500 0.347 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672008887 1199000008 /nfs/dbraw/zinc/00/00/08/1199000008.db2.gz MGQCFYFQFXZNQP-QGZVFWFLSA-N 2 0 393.576 0.319 20 0 GCADRP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC[NH+](C)CC1 ZINC000672008419 1199000661 /nfs/dbraw/zinc/00/06/61/1199000661.db2.gz RQUXPUZMSNULRK-MRXNPFEDSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010153 1199002873 /nfs/dbraw/zinc/00/28/73/1199002873.db2.gz UITUJQSKQAFGSL-LPHOPBHVSA-N 2 0 393.576 0.460 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672010309 1199004290 /nfs/dbraw/zinc/00/42/90/1199004290.db2.gz UWVVUIMQPQKHRI-ZIFCJYIRSA-N 2 0 393.576 0.317 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672014525 1199004758 /nfs/dbraw/zinc/00/47/58/1199004758.db2.gz VHIWXKFYSRWXSC-SJLPKXTDSA-N 2 0 382.549 0.792 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)c1 ZINC000672015489 1199005318 /nfs/dbraw/zinc/00/53/18/1199005318.db2.gz XCLXAIKZHDIGNT-HNNXBMFYSA-N 2 0 389.500 0.585 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000542748736 1199023337 /nfs/dbraw/zinc/02/33/37/1199023337.db2.gz PYIOLVCDVLPHNP-GOSISDBHSA-N 2 0 380.581 0.291 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000465852696 1199087759 /nfs/dbraw/zinc/08/77/59/1199087759.db2.gz XICHUZFVTXIJJK-ZWKOTPCHSA-N 2 0 397.564 0.681 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099842 1199088825 /nfs/dbraw/zinc/08/88/25/1199088825.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 2 0 379.549 0.214 20 0 GCADRP CC[N@H+](CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099841 1199089075 /nfs/dbraw/zinc/08/90/75/1199089075.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 2 0 379.549 0.214 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCN2CCOCC2)C1 ZINC001000479584 1199114650 /nfs/dbraw/zinc/11/46/50/1199114650.db2.gz YFGADEQNQKZSBK-BDXSIMOUSA-N 2 0 378.517 0.299 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000465880795 1199148534 /nfs/dbraw/zinc/14/85/34/1199148534.db2.gz WXQTXNXRWYUGOU-GOSISDBHSA-N 2 0 397.564 0.681 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000465894867 1199156674 /nfs/dbraw/zinc/15/66/74/1199156674.db2.gz BMTZAJDZMWOKRN-RTBURBONSA-N 3 0 382.597 0.680 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672203827 1199158126 /nfs/dbraw/zinc/15/81/26/1199158126.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 2 0 393.576 0.604 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000656316968 1199170033 /nfs/dbraw/zinc/17/00/33/1199170033.db2.gz AXFXQWSEDYIQCL-SJORKVTESA-N 2 0 379.549 0.262 20 0 GCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000265777149 1199170446 /nfs/dbraw/zinc/17/04/46/1199170446.db2.gz UPIGQCSTNZXSGR-ROUUACIJSA-N 2 0 375.517 0.798 20 0 GCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC[C@H]21 ZINC000672313598 1199204865 /nfs/dbraw/zinc/20/48/65/1199204865.db2.gz GHQXHIQMNDRDFU-ZWKOTPCHSA-N 2 0 392.544 0.690 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313120 1199205773 /nfs/dbraw/zinc/20/57/73/1199205773.db2.gz LCKIHTDUKKLGIF-QZTJIDSGSA-N 2 0 392.544 0.690 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000672358018 1199215521 /nfs/dbraw/zinc/21/55/21/1199215521.db2.gz NXFNFBGSGSEDGV-RBUKOAKNSA-N 2 0 388.512 0.556 20 0 GCADRP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000465957400 1199226132 /nfs/dbraw/zinc/22/61/32/1199226132.db2.gz QBBSQWMYAHMWAB-ZWKOTPCHSA-N 2 0 396.580 0.145 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC2CC[NH+](C)CC2)C1 ZINC001002790605 1199269978 /nfs/dbraw/zinc/26/99/78/1199269978.db2.gz NPEDFIJACNYAOS-IDCNUPLLSA-N 2 0 378.517 0.297 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672596850 1199277046 /nfs/dbraw/zinc/27/70/46/1199277046.db2.gz SDNWUBWKSDRCGQ-RTBURBONSA-N 2 0 387.528 0.081 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638395 1199288717 /nfs/dbraw/zinc/28/87/17/1199288717.db2.gz GOBFMRUIUUBESA-IEBWSBKVSA-N 2 0 391.560 0.358 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638397 1199289054 /nfs/dbraw/zinc/28/90/54/1199289054.db2.gz GOBFMRUIUUBESA-PKOBYXMFSA-N 2 0 391.560 0.358 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638644 1199290754 /nfs/dbraw/zinc/29/07/54/1199290754.db2.gz GEEFLIURIGZHEI-ROUUACIJSA-N 2 0 393.576 0.509 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638230 1199291427 /nfs/dbraw/zinc/29/14/27/1199291427.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 2 0 393.576 0.652 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638646 1199292144 /nfs/dbraw/zinc/29/21/44/1199292144.db2.gz GEEFLIURIGZHEI-ZWKOTPCHSA-N 2 0 393.576 0.509 20 0 GCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640209 1199295205 /nfs/dbraw/zinc/29/52/05/1199295205.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641014 1199297371 /nfs/dbraw/zinc/29/73/71/1199297371.db2.gz JUPMTSRJVFNUKW-HOTGVXAUSA-N 2 0 381.565 0.364 20 0 GCADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640960 1199297415 /nfs/dbraw/zinc/29/74/15/1199297415.db2.gz HPQOGHXPGSIGNW-QGZVFWFLSA-N 2 0 379.549 0.215 20 0 GCADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641399 1199298029 /nfs/dbraw/zinc/29/80/29/1199298029.db2.gz QVAHPHFBEOFLQM-GOSISDBHSA-N 2 0 393.576 0.606 20 0 GCADRP C[NH+]1CCC(OCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CC1 ZINC001002827847 1199298204 /nfs/dbraw/zinc/29/82/04/1199298204.db2.gz NRYKFKUSXSYMQW-NXHRZFHOSA-N 2 0 378.517 0.441 20 0 GCADRP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641015 1199298516 /nfs/dbraw/zinc/29/85/16/1199298516.db2.gz JUPMTSRJVFNUKW-HZPDHXFCSA-N 2 0 381.565 0.364 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641029 1199298824 /nfs/dbraw/zinc/29/88/24/1199298824.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 2 0 391.560 0.214 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642565 1199301265 /nfs/dbraw/zinc/30/12/65/1199301265.db2.gz CQOQSDZSMXSPEP-MJGOQNOKSA-N 2 0 391.560 0.358 20 0 GCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672641798 1199304045 /nfs/dbraw/zinc/30/40/45/1199304045.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 2 0 379.549 0.071 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643007 1199304997 /nfs/dbraw/zinc/30/49/97/1199304997.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 2 0 377.533 0.013 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672655523 1199309787 /nfs/dbraw/zinc/30/97/87/1199309787.db2.gz AMHZSXZLHLACHS-RBUKOAKNSA-N 2 0 393.576 0.606 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672655522 1199310633 /nfs/dbraw/zinc/31/06/33/1199310633.db2.gz AMHZSXZLHLACHS-OALUTQOASA-N 2 0 393.576 0.606 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672697499 1199318567 /nfs/dbraw/zinc/31/85/67/1199318567.db2.gz WYHIRUMGNUPQTN-SFHVURJKSA-N 2 0 380.533 0.548 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000673096081 1199417280 /nfs/dbraw/zinc/41/72/80/1199417280.db2.gz XCQKSKFPMPVHFW-YJBOKZPZSA-N 2 0 388.512 0.037 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000682077700 1199439896 /nfs/dbraw/zinc/43/98/96/1199439896.db2.gz VQCZDEQDLJKFGH-UHFFFAOYSA-N 2 0 389.544 0.871 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cn1 ZINC000673155003 1199459654 /nfs/dbraw/zinc/45/96/54/1199459654.db2.gz HAJHYRKNJMKPLR-QGZVFWFLSA-N 2 0 390.463 0.941 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2)CC1 ZINC000466144659 1199494959 /nfs/dbraw/zinc/49/49/59/1199494959.db2.gz YOMISVRECLKTBN-OALUTQOASA-N 2 0 380.581 0.291 20 0 GCADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000673288311 1199519027 /nfs/dbraw/zinc/51/90/27/1199519027.db2.gz JUUYJCGKRFBMPI-MJGOQNOKSA-N 2 0 388.512 0.859 20 0 GCADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000673288309 1199519658 /nfs/dbraw/zinc/51/96/58/1199519658.db2.gz JUUYJCGKRFBMPI-HKUYNNGSSA-N 2 0 388.512 0.859 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000673307637 1199532241 /nfs/dbraw/zinc/53/22/41/1199532241.db2.gz BPCQWKPQNWGSHO-RTBURBONSA-N 2 0 393.576 0.606 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000673325592 1199540448 /nfs/dbraw/zinc/54/04/48/1199540448.db2.gz BCMWPGXYEGIWJX-PKOBYXMFSA-N 2 0 390.528 0.802 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000673337141 1199550043 /nfs/dbraw/zinc/55/00/43/1199550043.db2.gz HUMAJKXBGFCUAN-ROUUACIJSA-N 2 0 382.549 0.719 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446305 1199659255 /nfs/dbraw/zinc/65/92/55/1199659255.db2.gz VGEPWBRCMKARBG-SJORKVTESA-N 2 0 382.549 0.792 20 0 GCADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550176 1199781434 /nfs/dbraw/zinc/78/14/34/1199781434.db2.gz PTQSRXOEEOBVCC-MJGOQNOKSA-N 2 0 382.549 0.792 20 0 GCADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584251 1199830119 /nfs/dbraw/zinc/83/01/19/1199830119.db2.gz ICTMWJSFCLFHME-ROUUACIJSA-N 2 0 380.533 0.423 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000673585361 1199831668 /nfs/dbraw/zinc/83/16/68/1199831668.db2.gz JUSFVPJGDVWWMK-ROUUACIJSA-N 2 0 380.533 0.425 20 0 GCADRP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)NCc3ccco3)cn2)CC1 ZINC001168735290 1199874986 /nfs/dbraw/zinc/87/49/86/1199874986.db2.gz MJZCDZNBXCFUMB-UHFFFAOYSA-N 2 0 378.458 0.747 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925848 /nfs/dbraw/zinc/92/58/48/1199925848.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 2 0 386.540 0.908 20 0 GCADRP O=C(Nc1cnn(CCN2CCOCC2)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673872073 1199963843 /nfs/dbraw/zinc/96/38/43/1199963843.db2.gz IHKJDSXNXSMZTF-QZTJIDSGSA-N 2 0 392.504 0.278 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000625465409 1199964143 /nfs/dbraw/zinc/96/41/43/1199964143.db2.gz NLMMXGBJATYUOC-FQEVSTJZSA-N 2 0 392.500 0.285 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCSC1 ZINC000673978652 1200045040 /nfs/dbraw/zinc/04/50/40/1200045040.db2.gz AWWGICKDQMVMND-SJLPKXTDSA-N 2 0 385.578 0.129 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCSC1 ZINC000673978641 1200045163 /nfs/dbraw/zinc/04/51/63/1200045163.db2.gz AWWGICKDQMVMND-AEFFLSMTSA-N 2 0 385.578 0.129 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCSC1 ZINC000673978654 1200045624 /nfs/dbraw/zinc/04/56/24/1200045624.db2.gz AWWGICKDQMVMND-WMZOPIPTSA-N 2 0 385.578 0.129 20 0 GCADRP CNC(=O)N[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000466588249 1200081903 /nfs/dbraw/zinc/08/19/03/1200081903.db2.gz VENVAGONOBPOEU-INIZCTEOSA-N 2 0 389.504 0.307 20 0 GCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000674320480 1200219993 /nfs/dbraw/zinc/21/99/93/1200219993.db2.gz JQBUCWLYORXAQB-UHFFFAOYSA-N 2 0 392.500 0.922 20 0 GCADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000670481538 1200310204 /nfs/dbraw/zinc/31/02/04/1200310204.db2.gz RQLXTCSIIXZECA-OAHLLOKOSA-N 2 0 393.576 0.697 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000670526892 1200404451 /nfs/dbraw/zinc/40/44/51/1200404451.db2.gz FGXJZHOEUCDFJT-QZTJIDSGSA-N 2 0 392.544 0.690 20 0 GCADRP CCc1cc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]n1 ZINC000804084181 1200491216 /nfs/dbraw/zinc/49/12/16/1200491216.db2.gz OWBQIMRZTARLFZ-UHFFFAOYSA-N 2 0 399.499 0.312 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000676168880 1200504445 /nfs/dbraw/zinc/50/44/45/1200504445.db2.gz RLTHJKZSNPLUBY-FUMNGEBKSA-N 2 0 394.560 0.995 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)C1 ZINC000676169426 1200504963 /nfs/dbraw/zinc/50/49/63/1200504963.db2.gz XLZOOPLSGYNKAZ-UFYCRDLUSA-N 2 0 393.576 0.786 20 0 GCADRP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243186 1200514915 /nfs/dbraw/zinc/51/49/15/1200514915.db2.gz FFFWUJSQKURJKM-MJGOQNOKSA-N 2 0 390.532 0.612 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448486553 1200628575 /nfs/dbraw/zinc/62/85/75/1200628575.db2.gz WOXALEBGATVDIV-CALCHBBNSA-N 2 0 392.548 1.258 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000366739532 1200637942 /nfs/dbraw/zinc/63/79/42/1200637942.db2.gz WIKOHZKNCMTWRK-QGZVFWFLSA-N 2 0 390.532 1.297 20 0 GCADRP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000377034704 1200639470 /nfs/dbraw/zinc/63/94/70/1200639470.db2.gz XIKXIPDEKFFQKY-AEFFLSMTSA-N 2 0 398.511 1.162 20 0 GCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427361444 1200650630 /nfs/dbraw/zinc/65/06/30/1200650630.db2.gz XLLNUWCBDGSHRZ-HNNXBMFYSA-N 2 0 376.505 1.031 20 0 GCADRP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000377034705 1200706645 /nfs/dbraw/zinc/70/66/45/1200706645.db2.gz XIKXIPDEKFFQKY-FUHWJXTLSA-N 2 0 398.511 1.162 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000923002290 1200709329 /nfs/dbraw/zinc/70/93/29/1200709329.db2.gz IKXQCWHUNRQBMJ-KRWDZBQOSA-N 2 0 375.517 0.669 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000477030005 1200788820 /nfs/dbraw/zinc/78/88/20/1200788820.db2.gz UYENIWNXRGVVLJ-VQIMIIECSA-N 2 0 390.528 0.716 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000477069413 1200813967 /nfs/dbraw/zinc/81/39/67/1200813967.db2.gz QUSAIKNIJXUAON-OKZBNKHCSA-N 2 0 381.565 0.317 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000477087296 1200819787 /nfs/dbraw/zinc/81/97/87/1200819787.db2.gz WDASYSSPJHTYDI-FHWLQOOXSA-N 2 0 395.592 0.850 20 0 GCADRP CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000569445065 1200847212 /nfs/dbraw/zinc/84/72/12/1200847212.db2.gz DTAIWQQLSGQIML-UHFFFAOYSA-N 2 0 392.548 1.498 20 0 GCADRP [NH3+][C@H](C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C1CCOCC1 ZINC000509334631 1200852389 /nfs/dbraw/zinc/85/23/89/1200852389.db2.gz ATINQGSLVUMSAA-KRWDZBQOSA-N 2 0 376.505 0.249 20 0 GCADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000570074084 1200863468 /nfs/dbraw/zinc/86/34/68/1200863468.db2.gz KMAODUDVKJLIKJ-IAGOWNOFSA-N 2 0 398.467 0.965 20 0 GCADRP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](O)CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923267807 1200914789 /nfs/dbraw/zinc/91/47/89/1200914789.db2.gz HRZCZHRPHLUCIR-YANVKFGNSA-N 2 0 392.544 0.518 20 0 GCADRP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)O1)[C@@H]1CCC[N@H+](C)C1 ZINC000189876561 1200954020 /nfs/dbraw/zinc/95/40/20/1200954020.db2.gz VDAYCRPAEJQARL-TVFCKZIOSA-N 2 0 380.533 0.639 20 0 GCADRP NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369825 1200968890 /nfs/dbraw/zinc/96/88/90/1200968890.db2.gz PNJKIKICIKNDAL-SJORKVTESA-N 2 0 378.904 0.863 20 0 GCADRP O=C1N[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923378187 1200973644 /nfs/dbraw/zinc/97/36/44/1200973644.db2.gz RQGDFECESPFXPH-CGTJXYLNSA-N 2 0 392.475 0.786 20 0 GCADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1=O ZINC000509395993 1200998222 /nfs/dbraw/zinc/99/82/22/1200998222.db2.gz FKWOQGKMMDCOGY-LJQANCHMSA-N 2 0 394.560 0.748 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369632794 1201001565 /nfs/dbraw/zinc/00/15/65/1201001565.db2.gz YUGOJZWYGLYMRS-MRXNPFEDSA-N 2 0 390.532 1.469 20 0 GCADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923504979 1201052893 /nfs/dbraw/zinc/05/28/93/1201052893.db2.gz JEBMKYPFZVIYSO-GOSISDBHSA-N 2 0 393.576 0.321 20 0 GCADRP O=C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000923518407 1201061236 /nfs/dbraw/zinc/06/12/36/1201061236.db2.gz LMWAKLYDIIXTPI-RBUKOAKNSA-N 2 0 386.496 0.317 20 0 GCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369483799 1201073062 /nfs/dbraw/zinc/07/30/62/1201073062.db2.gz JUKMLMQFFWIJSM-OAHLLOKOSA-N 2 0 376.505 0.936 20 0 GCADRP C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717293 1201254105 /nfs/dbraw/zinc/25/41/05/1201254105.db2.gz AGHJQYCMBGFENM-ZESCBINXSA-N 2 0 392.544 0.448 20 0 GCADRP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723694 1201255180 /nfs/dbraw/zinc/25/51/80/1201255180.db2.gz FIWSVHCYQBBUOH-KLHDSHLOSA-N 2 0 377.537 0.747 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2C)CC[N@@H+]1C ZINC001079732179 1201255541 /nfs/dbraw/zinc/25/55/41/1201255541.db2.gz CFQFYDWNCHFYAZ-QKPAOTATSA-N 2 0 393.532 0.484 20 0 GCADRP C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000727076424 1201333365 /nfs/dbraw/zinc/33/33/65/1201333365.db2.gz HHLVSOJCMRHSTN-QGZVFWFLSA-N 2 0 385.622 0.692 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCN4CCCC4=O)C[C@@H]32)CC[N@@H+]1C ZINC001083085687 1201382768 /nfs/dbraw/zinc/38/27/68/1201382768.db2.gz FXFPPPFLTFOUNF-ZJPYXAASSA-N 2 0 378.517 0.251 20 0 GCADRP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC001084447493 1201412750 /nfs/dbraw/zinc/41/27/50/1201412750.db2.gz PZSZXGLNYZMWJQ-SVYNMNNPSA-N 2 0 385.468 0.975 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001085203623 1201634054 /nfs/dbraw/zinc/63/40/54/1201634054.db2.gz SWZYXJWPYXJHNG-BSDSXHPESA-N 2 0 380.533 0.593 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001085204693 1201634503 /nfs/dbraw/zinc/63/45/03/1201634503.db2.gz DYGASWBTLBEVJW-ZJIFWQFVSA-N 2 0 379.505 0.286 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000735592353 1201694731 /nfs/dbraw/zinc/69/47/31/1201694731.db2.gz DRKDLSCVCPMQQJ-FUHWJXTLSA-N 2 0 390.484 0.545 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[N@H+](C)CCOC)cc2)CC1 ZINC000735590805 1201694750 /nfs/dbraw/zinc/69/47/50/1201694750.db2.gz UOXMECBUZKPPBZ-UHFFFAOYSA-N 2 0 391.516 0.461 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000737048675 1201720007 /nfs/dbraw/zinc/72/00/07/1201720007.db2.gz YAMNNUUYULCZEY-LJQANCHMSA-N 2 0 381.565 0.957 20 0 GCADRP CN(C(=O)COCCOCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000741623516 1201781816 /nfs/dbraw/zinc/78/18/16/1201781816.db2.gz CSVBWCNQQBPDQW-ROUUACIJSA-N 2 0 398.548 0.125 20 0 GCADRP CN1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCCN(C)CC2)CC1 ZINC000742473210 1201797697 /nfs/dbraw/zinc/79/76/97/1201797697.db2.gz XILHKICZBOMWSF-UHFFFAOYSA-N 2 0 382.402 0.585 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000743919367 1201828142 /nfs/dbraw/zinc/82/81/42/1201828142.db2.gz HMYAXGQHXYSTED-MRXNPFEDSA-N 2 0 389.500 0.214 20 0 GCADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000746247052 1201904426 /nfs/dbraw/zinc/90/44/26/1201904426.db2.gz JPWRUIFLEDOBNZ-MRXNPFEDSA-N 2 0 376.501 1.000 20 0 GCADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+](C)CCC[NH+](C)C ZINC001169197924 1201936269 /nfs/dbraw/zinc/93/62/69/1201936269.db2.gz YALPHPBSKKYCHX-HNNXBMFYSA-N 2 0 378.521 0.876 20 0 GCADRP C[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@@H+](C)CC2(C)C)C(C)(C)C1 ZINC000766621737 1201939021 /nfs/dbraw/zinc/93/90/21/1201939021.db2.gz AGZVWNOJEBHREI-UHFFFAOYSA-N 2 0 398.548 0.125 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945716 1201960070 /nfs/dbraw/zinc/96/00/70/1201960070.db2.gz MZCDPBMZSQPUKS-GOSISDBHSA-N 2 0 394.560 0.842 20 0 GCADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000867012758 1201960259 /nfs/dbraw/zinc/96/02/59/1201960259.db2.gz OZLMXGGXMCKHDP-INIZCTEOSA-N 2 0 386.537 0.747 20 0 GCADRP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109272418 1202010347 /nfs/dbraw/zinc/01/03/47/1202010347.db2.gz ITMAWAYAOUTYML-XWSJACJDSA-N 2 0 380.533 0.733 20 0 GCADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301930 1202017820 /nfs/dbraw/zinc/01/78/20/1202017820.db2.gz QPJOKIKBNOMKCB-NJAFHUGGSA-N 2 0 379.505 0.443 20 0 GCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001109449121 1202052172 /nfs/dbraw/zinc/05/21/72/1202052172.db2.gz FPJRVXZMOUBJRW-IKGGRYGDSA-N 2 0 376.505 0.358 20 0 GCADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000770580940 1202104119 /nfs/dbraw/zinc/10/41/19/1202104119.db2.gz DKUDDLJKBVJLFQ-PKOBYXMFSA-N 2 0 381.565 0.955 20 0 GCADRP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[NH+]1CCCC1 ZINC001109735408 1202115407 /nfs/dbraw/zinc/11/54/07/1202115407.db2.gz FRAHMAFFWHDQRD-BDXSIMOUSA-N 2 0 376.505 0.501 20 0 GCADRP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)n1 ZINC001109848111 1202135018 /nfs/dbraw/zinc/13/50/18/1202135018.db2.gz XEAQMFGFYFGAJH-SQNIBIBYSA-N 2 0 376.505 0.339 20 0 GCADRP COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NC[C@H]1COCC[NH2+]1 ZINC001170034269 1202164728 /nfs/dbraw/zinc/16/47/28/1202164728.db2.gz ALUABNCTKOLLIJ-ZBFHGGJFSA-N 2 0 380.489 0.588 20 0 GCADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688603 1205399110 /nfs/dbraw/zinc/39/91/10/1205399110.db2.gz KAWQQFXJSAHBPC-ROUUACIJSA-N 2 0 380.533 0.737 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787910215 1205407146 /nfs/dbraw/zinc/40/71/46/1205407146.db2.gz KLYOMSARAMLPHZ-ZSYWTGECSA-N 2 0 394.560 0.840 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000787901133 1205409227 /nfs/dbraw/zinc/40/92/27/1205409227.db2.gz AINCGAXVCIHBPX-FGTMMUONSA-N 2 0 380.533 0.737 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000790186552 1205458347 /nfs/dbraw/zinc/45/83/47/1205458347.db2.gz KLMXHMCSOBTRJD-SJLPKXTDSA-N 2 0 380.533 0.594 20 0 GCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790273883 1205461710 /nfs/dbraw/zinc/46/17/10/1205461710.db2.gz OLMXRJKVYRQXJR-BZSNNMDCSA-N 2 0 378.517 0.489 20 0 GCADRP O=C1O[C@@]2(CN1CN1CC[NH+](CC3CCOCC3)CC1)C[NH+]1CCC2CC1 ZINC000790364529 1205463252 /nfs/dbraw/zinc/46/32/52/1205463252.db2.gz ZMZTWODASQIHEH-HXUWFJFHSA-N 2 0 378.517 0.905 20 0 GCADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(=O)NC3CC[NH+](C)CC3)nn2)O1 ZINC001170278851 1205490582 /nfs/dbraw/zinc/49/05/82/1205490582.db2.gz ROBFQJPOUSOFJZ-MDZRGWNJSA-N 2 0 392.504 0.437 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(F)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388896 1205491290 /nfs/dbraw/zinc/49/12/90/1205491290.db2.gz AAUNENPPUZFQOL-XMSFWSCYSA-N 2 0 385.484 0.889 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C[NH3+])ccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170387443 1205491325 /nfs/dbraw/zinc/49/13/25/1205491325.db2.gz GPRYUTAKEZEFQD-QAGGRKNESA-N 3 0 395.548 0.814 20 0 GCADRP Cn1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])ncc1=O ZINC001170391688 1205491329 /nfs/dbraw/zinc/49/13/29/1205491329.db2.gz DQTJBWJTCQFRIH-PUMWCKSCSA-N 2 0 397.520 0.054 20 0 GCADRP COc1cnnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170388087 1205491341 /nfs/dbraw/zinc/49/13/41/1205491341.db2.gz JBDZFFGQYODOHW-ADBDHWBDSA-N 2 0 397.520 0.759 20 0 GCADRP Cc1ccc[n+]([O-])c1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389724 1205491368 /nfs/dbraw/zinc/49/13/68/1205491368.db2.gz CYKTTXCYCMRVGX-FYAJOAKPSA-N 2 0 396.532 0.902 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncncc2F)[C@@H](O)OC(C)(C)C)C1 ZINC001170396232 1205491527 /nfs/dbraw/zinc/49/15/27/1205491527.db2.gz BUJGYIVILPFBAE-LLLJDESDSA-N 2 0 385.484 0.889 20 0 GCADRP COc1cnc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cn1 ZINC001170394230 1205491598 /nfs/dbraw/zinc/49/15/98/1205491598.db2.gz VMYISJLWXQUJKV-LYHUEXMXSA-N 2 0 397.520 0.759 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc[n+]([O-])c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170395837 1205491621 /nfs/dbraw/zinc/49/16/21/1205491621.db2.gz ODBWKVRUKUVBSX-HILJTLORSA-N 2 0 382.505 0.593 20 0 GCADRP Cn1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc1=O ZINC001170392295 1205491622 /nfs/dbraw/zinc/49/16/22/1205491622.db2.gz GGCQTUYISNTKOR-AOILIUCDSA-N 2 0 396.532 0.659 20 0 GCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2=O ZINC000772829448 1205496840 /nfs/dbraw/zinc/49/68/40/1205496840.db2.gz SFESYJLPUWJLHB-DOTOQJQBSA-N 2 0 375.517 0.909 20 0 GCADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[NH+](C)C)cc1 ZINC000793717049 1205503272 /nfs/dbraw/zinc/50/32/72/1205503272.db2.gz DGGVIOHSIFHRDF-OTWHNJEPSA-N 2 0 388.512 0.693 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000793715597 1205503281 /nfs/dbraw/zinc/50/32/81/1205503281.db2.gz HPIFZCTXXXERMT-QGZVFWFLSA-N 2 0 382.549 0.983 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000793696655 1205504047 /nfs/dbraw/zinc/50/40/47/1205504047.db2.gz HFGHNIBOZLCKBA-KRWDZBQOSA-N 2 0 381.565 0.461 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000793708209 1205504662 /nfs/dbraw/zinc/50/46/62/1205504662.db2.gz LSBSGGOZAVJIED-IRXDYDNUSA-N 2 0 380.533 0.594 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000793850352 1205507923 /nfs/dbraw/zinc/50/79/23/1205507923.db2.gz XEDNRTALYJOPIY-YESZJQIVSA-N 2 0 392.500 0.758 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000793909444 1205509275 /nfs/dbraw/zinc/50/92/75/1205509275.db2.gz GYEBFNJRECSVFJ-ZACQAIPSSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793915353 1205509420 /nfs/dbraw/zinc/50/94/20/1205509420.db2.gz XSGIMLPBKYKAKA-RZFLPCETSA-N 2 0 380.533 0.448 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000804897701 1205527922 /nfs/dbraw/zinc/52/79/22/1205527922.db2.gz VKWSAWLBWNCGGJ-ADKAHSJRSA-N 2 0 380.533 0.737 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000804897157 1205528034 /nfs/dbraw/zinc/52/80/34/1205528034.db2.gz GGJQMIIOPKPKQW-GOSISDBHSA-N 2 0 376.501 0.544 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000805636056 1205541853 /nfs/dbraw/zinc/54/18/53/1205541853.db2.gz JOAXQZDJCRMBFK-KZNAEPCWSA-N 2 0 394.560 0.983 20 0 GCADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000805636055 1205541883 /nfs/dbraw/zinc/54/18/83/1205541883.db2.gz JOAXQZDJCRMBFK-KURKYZTESA-N 2 0 394.560 0.983 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806056639 1205548931 /nfs/dbraw/zinc/54/89/31/1205548931.db2.gz AWYYIQKKKMHGRO-DAWZGUTISA-N 2 0 379.549 0.262 20 0 GCADRP CC1CCC2(CC1)OC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O2 ZINC000806707287 1205563756 /nfs/dbraw/zinc/56/37/56/1205563756.db2.gz PZOGXNLCEMHDBX-OHTSDLOESA-N 2 0 398.548 0.376 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001130994148 1205585107 /nfs/dbraw/zinc/58/51/07/1205585107.db2.gz JGXVSGAQHAYBHI-YLFCFFPRSA-N 2 0 390.532 0.123 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000808324075 1205605985 /nfs/dbraw/zinc/60/59/85/1205605985.db2.gz ALNNYMGYBFRFHM-KRWDZBQOSA-N 2 0 380.920 0.875 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC000814110575 1205687044 /nfs/dbraw/zinc/68/70/44/1205687044.db2.gz VDPFMLPURHXMCV-UHFFFAOYSA-N 2 0 384.427 0.957 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC2)C1 ZINC001172014846 1205711045 /nfs/dbraw/zinc/71/10/45/1205711045.db2.gz OEEMCXKHBRTNIM-SFHVURJKSA-N 2 0 392.544 0.642 20 0 GCADRP CN1[C@H]2COC[C@@H]1CC([N@@H+]1CCc3onc(C(=O)NCC[NH+](C)C)c3C1)C2 ZINC001172137641 1205712878 /nfs/dbraw/zinc/71/28/78/1205712878.db2.gz XGXULXNJYXOUGG-GOOCMWNKSA-N 2 0 377.489 0.186 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172176922 1205714151 /nfs/dbraw/zinc/71/41/51/1205714151.db2.gz ZHJOMAMJNFVYDE-XMTFNYHQSA-N 2 0 378.517 0.251 20 0 GCADRP COCCC[NH+]1CCC(NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001172248884 1205714852 /nfs/dbraw/zinc/71/48/52/1205714852.db2.gz RLYCVIBNDNTLCT-UHFFFAOYSA-N 2 0 396.557 0.907 20 0 GCADRP COCCC[NH+]1CCC(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001172251464 1205715193 /nfs/dbraw/zinc/71/51/93/1205715193.db2.gz QPFLHGFYLZWCAF-UHFFFAOYSA-N 2 0 386.518 0.583 20 0 GCADRP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001172618634 1205716525 /nfs/dbraw/zinc/71/65/25/1205716525.db2.gz WRPCKZNQNDEEPW-ROUUACIJSA-N 2 0 394.560 0.888 20 0 GCADRP C[NH+](C)CCN1CC[N@@H+](C2CCN(CC(=O)OC(C)(C)C)CC2)CCC1=O ZINC001172894844 1205717899 /nfs/dbraw/zinc/71/78/99/1205717899.db2.gz ASMUDXBYFGOAMD-UHFFFAOYSA-N 2 0 382.549 0.888 20 0 GCADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173021145 1205718394 /nfs/dbraw/zinc/71/83/94/1205718394.db2.gz STZVZJZEOVCQFL-LSDHHAIUSA-N 2 0 379.457 0.532 20 0 GCADRP CCSC[C@H](C)[NH2+]CCOCCOCCOCCOCCOCC[NH3+] ZINC001173290119 1205719682 /nfs/dbraw/zinc/71/96/82/1205719682.db2.gz AIRXEYBGDAKVRB-KRWDZBQOSA-N 2 0 382.567 0.759 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755732 1205727762 /nfs/dbraw/zinc/72/77/62/1205727762.db2.gz WBDPUFVNZGNYHJ-XMTFNYHQSA-N 2 0 391.520 0.268 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2cnc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001176836374 1205755969 /nfs/dbraw/zinc/75/59/69/1205755969.db2.gz HETQCCPSAOCPGR-AHMROAQXSA-N 2 0 397.520 0.248 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](Cn1cccn1)NC(=O)OC(C)(C)C ZINC001177708478 1205775021 /nfs/dbraw/zinc/77/50/21/1205775021.db2.gz GMKXXQPQKMLODE-AWEZNQCLSA-N 2 0 395.508 0.840 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 ZINC001178666312 1205791589 /nfs/dbraw/zinc/79/15/89/1205791589.db2.gz GKYCUKLWMONWAE-KBPBESRZSA-N 2 0 385.509 0.668 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001178693308 1205792351 /nfs/dbraw/zinc/79/23/51/1205792351.db2.gz ZGMZNFAMUXMFRW-KRWDZBQOSA-N 2 0 379.549 0.168 20 0 GCADRP Cn1nnc2c1CCN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]2COCC[NH+]1CCCC1 ZINC001178691656 1205792379 /nfs/dbraw/zinc/79/23/79/1205792379.db2.gz GJZFIXBVWLJXKU-MSOLQXFVSA-N 2 0 390.532 0.838 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179017945 1205798127 /nfs/dbraw/zinc/79/81/27/1205798127.db2.gz VCDHYIRBBPZNED-UHFFFAOYSA-N 3 0 394.564 0.773 20 0 GCADRP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC([N@@H+](C)[C@H]4CCOC4)C3)CC2)CC1 ZINC001179012510 1205799669 /nfs/dbraw/zinc/79/96/69/1205799669.db2.gz MOAGNRILRRZMOE-IBGZPJMESA-N 2 0 392.544 0.641 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001180387479 1205823469 /nfs/dbraw/zinc/82/34/69/1205823469.db2.gz IBABWCHEZTVYOW-QGZVFWFLSA-N 2 0 378.521 0.695 20 0 GCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001180410108 1205825034 /nfs/dbraw/zinc/82/50/34/1205825034.db2.gz PSXUIWOYYXFCCR-ZWKOTPCHSA-N 2 0 389.496 0.481 20 0 GCADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OC ZINC001180411283 1205825042 /nfs/dbraw/zinc/82/50/42/1205825042.db2.gz XUNQFGDCYAANAI-DLBZAZTESA-N 2 0 391.468 0.258 20 0 GCADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001181983015 1205852723 /nfs/dbraw/zinc/85/27/23/1205852723.db2.gz MJBNOIKALYIXFN-HNNXBMFYSA-N 2 0 380.514 0.663 20 0 GCADRP Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001182127582 1205856821 /nfs/dbraw/zinc/85/68/21/1205856821.db2.gz RGPDFKOQESLDPT-HNNXBMFYSA-N 2 0 381.502 0.609 20 0 GCADRP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182342189 1205865730 /nfs/dbraw/zinc/86/57/30/1205865730.db2.gz DAHJXTWDBCHMPG-KRWDZBQOSA-N 2 0 378.477 0.872 20 0 GCADRP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)NC3(C[NH3+])COC3)CC2)C1 ZINC001183158975 1205888738 /nfs/dbraw/zinc/88/87/38/1205888738.db2.gz SRHLJAVCJANJRJ-HNNXBMFYSA-N 2 0 382.505 0.552 20 0 GCADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C(=O)NC3(C[NH3+])COC3)CC2)C1 ZINC001183158977 1205888876 /nfs/dbraw/zinc/88/88/76/1205888876.db2.gz SRHLJAVCJANJRJ-OAHLLOKOSA-N 2 0 382.505 0.552 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000774792073 1205914224 /nfs/dbraw/zinc/91/42/24/1205914224.db2.gz YWGKBILXCNEQBF-GOSISDBHSA-N 2 0 382.549 0.981 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001185251364 1205919288 /nfs/dbraw/zinc/91/92/88/1205919288.db2.gz NPBQANYWOZKJHB-QRQLOZEOSA-N 2 0 376.476 0.735 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001185254746 1205919975 /nfs/dbraw/zinc/91/99/75/1205919975.db2.gz GSTTXNJYLKPTBH-GOSISDBHSA-N 2 0 375.517 0.943 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000774855521 1205920582 /nfs/dbraw/zinc/92/05/82/1205920582.db2.gz DZXVQNAGSZWMCB-SFHVURJKSA-N 2 0 380.533 0.735 20 0 GCADRP CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185843298 1205930374 /nfs/dbraw/zinc/93/03/74/1205930374.db2.gz MZKMZNPMKPZMQS-OLZOCXBDSA-N 2 0 385.465 0.246 20 0 GCADRP C[NH+](C)CCN(C(=O)CN1CC[C@H](O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044731 1205933896 /nfs/dbraw/zinc/93/38/96/1205933896.db2.gz JMTVREMTUQMLAA-SJORKVTESA-N 2 0 398.548 0.843 20 0 GCADRP CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186503612 1205940630 /nfs/dbraw/zinc/94/06/30/1205940630.db2.gz QUJPYQJVXXTDAF-BFHYXJOUSA-N 2 0 383.493 0.719 20 0 GCADRP Cc1nc(Nc2cnn(CCC[NH+](C)C)c2)cc(N2CCN(CCO)CC2)n1 ZINC001186943133 1205951368 /nfs/dbraw/zinc/95/13/68/1205951368.db2.gz UPRNTNGNRXSACX-UHFFFAOYSA-N 2 0 388.520 0.791 20 0 GCADRP C[NH+](C)Cc1ccc(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)cc1 ZINC001187280527 1205958850 /nfs/dbraw/zinc/95/88/50/1205958850.db2.gz SPQLMTDVARIYIS-UHFFFAOYSA-N 2 0 392.481 0.984 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001187742748 1205968298 /nfs/dbraw/zinc/96/82/98/1205968298.db2.gz VOJRBOZJXDPCFD-QMHOLRBPSA-N 2 0 383.493 0.319 20 0 GCADRP Cc1n[nH]cc1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001188061583 1205974912 /nfs/dbraw/zinc/97/49/12/1205974912.db2.gz IZIPQQGXVYVYJH-WRHRSQKMSA-N 2 0 397.520 0.627 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCCC1 ZINC000775220896 1205995381 /nfs/dbraw/zinc/99/53/81/1205995381.db2.gz CTDVBNCIFZHCPU-SJORKVTESA-N 2 0 380.533 0.737 20 0 GCADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164733122 720554339 /nfs/dbraw/zinc/55/43/39/720554339.db2.gz JWJRJKOFIPKLTK-UHFFFAOYSA-N 2 0 382.516 0.741 20 0 GCADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164727996 720567165 /nfs/dbraw/zinc/56/71/65/720567165.db2.gz GZCOAGNNECQZGX-UHFFFAOYSA-N 2 0 382.516 0.741 20 0 GCADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164743680 720622583 /nfs/dbraw/zinc/62/25/83/720622583.db2.gz PZMVCYGWFMOIKX-SJORKVTESA-N 2 0 396.499 0.360 20 0 GCADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164740370 720725553 /nfs/dbraw/zinc/72/55/53/720725553.db2.gz KJSJGPCVSVLVND-MSOLQXFVSA-N 2 0 395.511 0.965 20 0 GCADRP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737770 720739377 /nfs/dbraw/zinc/73/93/77/720739377.db2.gz CQNKYZCTCRIWHV-QZTJIDSGSA-N 2 0 381.484 0.623 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]2C1 ZINC001164851883 720836177 /nfs/dbraw/zinc/83/61/77/720836177.db2.gz IOCRJQGKYPPWEW-QZTJIDSGSA-N 2 0 390.532 0.402 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164855989 720858777 /nfs/dbraw/zinc/85/87/77/720858777.db2.gz NGLJLJLKXYCJOB-DLBZAZTESA-N 2 0 376.505 0.060 20 0 GCADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164751748 720960944 /nfs/dbraw/zinc/96/09/44/720960944.db2.gz SZQVXNSAJVLOSS-UHFFFAOYSA-N 2 0 399.499 0.333 20 0 GCADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164866030 721061621 /nfs/dbraw/zinc/06/16/21/721061621.db2.gz BTIRVDXVJCWRKN-RBUKOAKNSA-N 2 0 395.511 0.761 20 0 GCADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C5C[NH2+]C5)ncn4)C3)O2)CC1 ZINC001164884298 721453149 /nfs/dbraw/zinc/45/31/49/721453149.db2.gz AOZFGKDUFGOFFL-WIYYLYMNSA-N 2 0 386.544 0.929 20 0 GCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+][nH]c(Cl)c4ncnc2-4)CC3)CC1 ZINC001164798514 721515960 /nfs/dbraw/zinc/51/59/60/721515960.db2.gz VENIQXKDAQVDIH-UHFFFAOYSA-N 2 0 387.879 0.970 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571260615 945420627 /nfs/dbraw/zinc/42/06/27/945420627.db2.gz XMPKYRAXAPOQPF-IAOMBJDPSA-N 2 0 385.447 0.504 20 0 GCADRP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264497 945486062 /nfs/dbraw/zinc/48/60/62/945486062.db2.gz QECVMIMIPHWCLO-CABCVRRESA-N 2 0 385.472 0.518 20 0 GCADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264725 945490817 /nfs/dbraw/zinc/49/08/17/945490817.db2.gz VCUGJNFLBXBTLP-IRXDYDNUSA-N 2 0 385.472 0.135 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571264729 945491325 /nfs/dbraw/zinc/49/13/25/945491325.db2.gz VIYVIEJEHPVMKE-IAGOWNOFSA-N 2 0 385.472 0.278 20 0 GCADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821627018 945755386 /nfs/dbraw/zinc/75/53/86/945755386.db2.gz JMCMJMMRIGQOEC-KRWDZBQOSA-N 2 0 389.504 0.176 20 0 GCADRP CC(C)(C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573765731 948923364 /nfs/dbraw/zinc/92/33/64/948923364.db2.gz APBWUUBWCAIQHF-CQSZACIVSA-N 2 0 384.488 0.961 20 0 GCADRP CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCC1 ZINC001573783179 949141195 /nfs/dbraw/zinc/14/11/95/949141195.db2.gz WGOOGDDKQSHLPS-HDJSIYSDSA-N 2 0 384.488 0.865 20 0 GCADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575252907 949174394 /nfs/dbraw/zinc/17/43/94/949174394.db2.gz IHGJSGNIASITPX-LBPRGKRZSA-N 2 0 387.513 0.961 20 0 GCADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263830 949410087 /nfs/dbraw/zinc/41/00/87/949410087.db2.gz JZJBXQNYNVMVDY-STQMWFEESA-N 2 0 387.463 0.894 20 0 GCADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574711654 949547403 /nfs/dbraw/zinc/54/74/03/949547403.db2.gz JXEBQUXRJFDJFT-TZMCWYRMSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574711652 949547719 /nfs/dbraw/zinc/54/77/19/949547719.db2.gz JXEBQUXRJFDJFT-JSGCOSHPSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711825 949557832 /nfs/dbraw/zinc/55/78/32/949557832.db2.gz MRENOUYMJBLSBO-QWHCGFSZSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957436 949615442 /nfs/dbraw/zinc/61/54/42/949615442.db2.gz XXWPCQAYBAQXOL-YRGRVCCFSA-N 2 0 375.452 0.940 20 0 GCADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714056 949617464 /nfs/dbraw/zinc/61/74/64/949617464.db2.gz ZXZLGJLSOWKVJO-JSGCOSHPSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714057 949619649 /nfs/dbraw/zinc/61/96/49/949619649.db2.gz ZXZLGJLSOWKVJO-OCCSQVGLSA-N 2 0 375.452 0.894 20 0 GCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576194235 950332547 /nfs/dbraw/zinc/33/25/47/950332547.db2.gz YAKILJGJCBAQFR-PBHICJAKSA-N 2 0 387.488 0.117 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197396 950393863 /nfs/dbraw/zinc/39/38/63/950393863.db2.gz MVODMEDJMXZGPE-LSDHHAIUSA-N 2 0 384.488 0.676 20 0 GCADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576198802 950414174 /nfs/dbraw/zinc/41/41/74/950414174.db2.gz VMRPANITDPJGFL-OAHLLOKOSA-N 2 0 384.488 0.818 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)C1 ZINC001576202884 950438351 /nfs/dbraw/zinc/43/83/51/950438351.db2.gz DPEKOCSPTPHYKX-RRFJBIMHSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205171 950496545 /nfs/dbraw/zinc/49/65/45/950496545.db2.gz VWFHYVIAKZEALZ-DJJJIMSYSA-N 2 0 384.488 0.722 20 0 GCADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576205419 950518372 /nfs/dbraw/zinc/51/83/72/950518372.db2.gz ITAIRXUERXYEHN-INIZCTEOSA-N 2 0 387.488 0.165 20 0 GCADRP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576208355 950611404 /nfs/dbraw/zinc/61/14/04/950611404.db2.gz OHYQMNWNTQUHDC-OLZOCXBDSA-N 2 0 375.452 0.942 20 0 GCADRP CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576209212 950621835 /nfs/dbraw/zinc/62/18/35/950621835.db2.gz YUIAUTPKMCRHIP-GOEBONIOSA-N 2 0 386.504 0.968 20 0 GCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576227602 950915531 /nfs/dbraw/zinc/91/55/31/950915531.db2.gz GNKFEQVWRSLBGA-HIFRSBDPSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576229173 950965201 /nfs/dbraw/zinc/96/52/01/950965201.db2.gz JOSXTUONIULDRB-KBPBESRZSA-N 2 0 384.488 0.532 20 0 GCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079482 951692324 /nfs/dbraw/zinc/69/23/24/951692324.db2.gz PZADLYAMZKXDJZ-LRDDRELGSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101258 951856606 /nfs/dbraw/zinc/85/66/06/951856606.db2.gz BHSYNBJYKQXMAJ-BLLLJJGKSA-N 2 0 375.452 0.942 20 0 GCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103001 951871350 /nfs/dbraw/zinc/87/13/50/951871350.db2.gz QKJBPEQHMSHSJM-ZDUSSCGKSA-N 2 0 387.463 0.944 20 0 GCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103296 951874554 /nfs/dbraw/zinc/87/45/54/951874554.db2.gz SGIAPIXGDKPQCI-ZDUSSCGKSA-N 2 0 375.452 0.944 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571212297 953086597 /nfs/dbraw/zinc/08/65/97/953086597.db2.gz KZUQHMYZLIOIBW-HDEZJCGLSA-N 2 0 382.472 0.685 20 0 GCADRP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001571219084 953122662 /nfs/dbraw/zinc/12/26/62/953122662.db2.gz UVRQSYXMSWYPHL-OEUWWYETSA-N 2 0 382.472 0.760 20 0 GCADRP C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239969 953244820 /nfs/dbraw/zinc/24/48/20/953244820.db2.gz WCOXLZJICYVFAY-WBMJQRKESA-N 2 0 384.419 0.982 20 0 GCADRP C[C@@H](C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCCC1 ZINC001571250654 953312871 /nfs/dbraw/zinc/31/28/71/953312871.db2.gz RSAIPGNTDDCCIN-GJZGRUSLSA-N 2 0 384.488 0.961 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571252305 953326285 /nfs/dbraw/zinc/32/62/85/953326285.db2.gz KHNIIUVKBWGCHJ-JKIFEVAISA-N 2 0 384.488 0.817 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571252525 953329864 /nfs/dbraw/zinc/32/98/64/953329864.db2.gz OLWJGPQTTUPJKB-RBSFLKMASA-N 2 0 384.488 0.674 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001571252533 953330256 /nfs/dbraw/zinc/33/02/56/953330256.db2.gz OYDJWVTVLSRBDP-RBSFLKMASA-N 2 0 384.488 0.674 20 0 GCADRP Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252579 953331037 /nfs/dbraw/zinc/33/10/37/953331037.db2.gz QGXRRCVUBUENRY-HZPDHXFCSA-N 2 0 384.488 0.927 20 0 GCADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252706 953331822 /nfs/dbraw/zinc/33/18/22/953331822.db2.gz URFGFTGZKGCJRJ-HUUCEWRRSA-N 2 0 384.488 0.818 20 0 GCADRP Cc1cc(NC2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252744 953332636 /nfs/dbraw/zinc/33/26/36/953332636.db2.gz VPLINCAGYFJCPW-KVULBXGLSA-N 2 0 384.488 0.878 20 0 GCADRP Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252859 953332876 /nfs/dbraw/zinc/33/28/76/953332876.db2.gz XIAPWDRWKWPKJH-VBQJREDUSA-N 2 0 384.488 0.783 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000530880325 530165101 /nfs/dbraw/zinc/16/51/01/530165101.db2.gz ZWOZNUYYDUESDU-UHFFFAOYSA-N 2 0 389.294 0.724 20 0 GCADRP Cc1nn(C)c(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)c1Br ZINC000447943163 530177457 /nfs/dbraw/zinc/17/74/57/530177457.db2.gz JHBNDYPJGWJOJD-UHFFFAOYSA-N 2 0 388.354 0.971 20 0 GCADRP COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1F ZINC000594531498 530430740 /nfs/dbraw/zinc/43/07/40/530430740.db2.gz BTBNBZBJZJCKLZ-UHFFFAOYSA-N 2 0 381.857 0.954 20 0 GCADRP CC[NH+](CC)CCN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000563163338 530508581 /nfs/dbraw/zinc/50/85/81/530508581.db2.gz UDEYTEPSDGQWLO-CYBMUJFWSA-N 2 0 388.559 0.615 20 0 GCADRP CC[NH+](CC)CCN(C(=O)C[C@H]1CSCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000573121953 530575590 /nfs/dbraw/zinc/57/55/90/530575590.db2.gz SJEBWGNRNHVJGW-LSDHHAIUSA-N 2 0 377.576 0.439 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCSC1 ZINC000417841451 530576558 /nfs/dbraw/zinc/57/65/58/530576558.db2.gz XKDAXKKFBTUBNW-TZMCWYRMSA-N 2 0 383.484 0.559 20 0 GCADRP CC1CCC(NS(=O)(=O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000068423597 530793797 /nfs/dbraw/zinc/79/37/97/530793797.db2.gz PLIRVRXYADTFJF-UHFFFAOYSA-N 2 0 376.567 0.436 20 0 GCADRP Cn1c2ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2sc1=O ZINC000631897740 530941023 /nfs/dbraw/zinc/94/10/23/530941023.db2.gz NGTDDOGJRHALSL-UHFFFAOYSA-N 2 0 386.543 0.714 20 0 GCADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000631954674 530953353 /nfs/dbraw/zinc/95/33/53/530953353.db2.gz TXNHPPNZMIHZIQ-ZIAGYGMSSA-N 2 0 386.484 0.413 20 0 GCADRP C[C@@]([NH3+])(C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccc(Br)cc1 ZINC000261987078 530991855 /nfs/dbraw/zinc/99/18/55/530991855.db2.gz QJDITQVFUNHXKR-SJCJKPOMSA-N 2 0 397.317 0.937 20 0 GCADRP COC(=O)c1scc(C)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527194328 531021433 /nfs/dbraw/zinc/02/14/33/531021433.db2.gz BEXCXLIXULEZSJ-UHFFFAOYSA-N 2 0 377.532 0.957 20 0 GCADRP CCc1oc(C(=O)OC)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000538703596 531035799 /nfs/dbraw/zinc/03/57/99/531035799.db2.gz BMXJAXLKMKYOPT-UHFFFAOYSA-N 2 0 375.491 0.743 20 0 GCADRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643500495 531085907 /nfs/dbraw/zinc/08/59/07/531085907.db2.gz RUEFZAXWJAFLDR-CQSZACIVSA-N 2 0 388.921 0.721 20 0 GCADRP C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000736182385 598701175 /nfs/dbraw/zinc/70/11/75/598701175.db2.gz NVGDHYMZWMWODE-CQSZACIVSA-N 2 0 375.477 0.586 20 0 GCADRP CC(C)[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)N1CC[NH+](C)CC1 ZINC000735706864 599484388 /nfs/dbraw/zinc/48/43/88/599484388.db2.gz FCIHVEFUDUITCQ-KRWDZBQOSA-N 2 0 383.504 0.876 20 0 GCADRP [NH3+]CC[C@@H]1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923490528 640139304 /nfs/dbraw/zinc/13/93/04/640139304.db2.gz VBYLBOISKUQVOV-HUUCEWRRSA-N 2 0 385.555 0.935 20 0 GCADRP CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000751067393 640374039 /nfs/dbraw/zinc/37/40/39/640374039.db2.gz OPZDIXUIGOYRKI-UHFFFAOYSA-N 2 0 375.495 0.009 20 0 GCADRP CO[C@@H](CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCOC1 ZINC000867591032 641360275 /nfs/dbraw/zinc/36/02/75/641360275.db2.gz XSCQBFMQVLOGMY-HZMVEIRTSA-N 2 0 377.551 0.039 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793036091 641462321 /nfs/dbraw/zinc/46/23/21/641462321.db2.gz NJFXJKSXSQHSRZ-UHFFFAOYSA-N 2 0 386.294 0.734 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875317900 641543426 /nfs/dbraw/zinc/54/34/26/641543426.db2.gz QXJRAWHWVSXAHH-HUUCEWRRSA-N 2 0 376.567 0.581 20 0 GCADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000925710196 641915914 /nfs/dbraw/zinc/91/59/14/641915914.db2.gz VXIMFZSFHCNWMF-ZRIRCROJSA-N 2 0 383.290 0.916 20 0 GCADRP Cn1ncc(I)c1C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925727520 641915953 /nfs/dbraw/zinc/91/59/53/641915953.db2.gz GWLWQZSPHKJJDS-QOAFMVCWSA-N 2 0 376.242 0.867 20 0 GCADRP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000842471580 642336739 /nfs/dbraw/zinc/33/67/39/642336739.db2.gz KECBDTCBGOKZOD-IRXDYDNUSA-N 2 0 376.567 0.867 20 0 GCADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000893494587 1192166733 /nfs/dbraw/zinc/16/67/33/1192166733.db2.gz PMMSPNUJRFPWSY-IAGOWNOFSA-N 2 0 379.549 0.959 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662972404 1192173918 /nfs/dbraw/zinc/17/39/18/1192173918.db2.gz VZTDVPUDFQBOOT-KNQAVFIVSA-N 2 0 384.524 0.974 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000662974137 1192174778 /nfs/dbraw/zinc/17/47/78/1192174778.db2.gz DGOYPQCGJUCJKF-VAMGGRTRSA-N 2 0 384.524 0.972 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000662974138 1192175088 /nfs/dbraw/zinc/17/50/88/1192175088.db2.gz DGOYPQCGJUCJKF-XUVXKRRUSA-N 2 0 384.524 0.972 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[C@H](C[NH3+])C1 ZINC000662986901 1192177400 /nfs/dbraw/zinc/17/74/00/1192177400.db2.gz PMYDVRUPZTZFCK-AEFFLSMTSA-N 2 0 380.533 0.533 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662987153 1192178529 /nfs/dbraw/zinc/17/85/29/1192178529.db2.gz RCMAJUGXHHOPTA-YRXWBPOGSA-N 2 0 393.576 0.589 20 0 GCADRP [NH3+]CCc1nc(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cs1 ZINC000663017763 1192185920 /nfs/dbraw/zinc/18/59/20/1192185920.db2.gz KZEQIJLMFRQIRG-CYBMUJFWSA-N 2 0 389.529 0.797 20 0 GCADRP COCC1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]CC1 ZINC000663020040 1192187233 /nfs/dbraw/zinc/18/72/33/1192187233.db2.gz VOUYWYSYJRKMJT-MRXNPFEDSA-N 2 0 390.532 0.542 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000661978968 1192209761 /nfs/dbraw/zinc/20/97/61/1192209761.db2.gz RAVFYNLFBUQQPQ-IBGZPJMESA-N 2 0 380.533 0.994 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000661986440 1192212203 /nfs/dbraw/zinc/21/22/03/1192212203.db2.gz HELOOYPAMZKUON-PKOBYXMFSA-N 2 0 380.533 0.994 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000652469915 1192229306 /nfs/dbraw/zinc/22/93/06/1192229306.db2.gz IDKCESSMDUUCGT-OALUTQOASA-N 2 0 393.576 0.415 20 0 GCADRP O=C(NCC[NH+]1CCCCC1)[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)O1 ZINC000188260777 1192256044 /nfs/dbraw/zinc/25/60/44/1192256044.db2.gz VXOMIMJAZFMZGV-HDICACEKSA-N 2 0 380.533 0.738 20 0 GCADRP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662295330 1192278317 /nfs/dbraw/zinc/27/83/17/1192278317.db2.gz YZUBRKKFWPSZER-SFHVURJKSA-N 2 0 388.512 0.879 20 0 GCADRP O=C(CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCOCC1 ZINC000662338723 1192285055 /nfs/dbraw/zinc/28/50/55/1192285055.db2.gz UXGUWSXJQWXKQL-INIZCTEOSA-N 2 0 376.505 0.248 20 0 GCADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662339023 1192285273 /nfs/dbraw/zinc/28/52/73/1192285273.db2.gz ZMIWFLGDYHKSPE-CQSZACIVSA-N 2 0 389.504 0.329 20 0 GCADRP C[NH+]1CCN(Cc2ccc(CNC(=O)c3cnnn3C3CC[NH2+]CC3)cc2)CC1 ZINC000662387273 1192287885 /nfs/dbraw/zinc/28/78/85/1192287885.db2.gz KALSDVLNTCYLFK-UHFFFAOYSA-N 2 0 397.527 0.880 20 0 GCADRP [NH3+]CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000563153107 1192368446 /nfs/dbraw/zinc/36/84/46/1192368446.db2.gz XVYPMNMHYBCCAL-UHFFFAOYSA-N 2 0 398.504 0.329 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@](C)(C(F)F)O1 ZINC000663537326 1192377692 /nfs/dbraw/zinc/37/76/92/1192377692.db2.gz GTOVDAUXAIJTBZ-DYVFJYSZSA-N 2 0 378.464 0.209 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000643539458 1192384277 /nfs/dbraw/zinc/38/42/77/1192384277.db2.gz HCBXBLDMBNAOER-AEFFLSMTSA-N 2 0 380.533 0.676 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000643539461 1192384508 /nfs/dbraw/zinc/38/45/08/1192384508.db2.gz HCBXBLDMBNAOER-WMZOPIPTSA-N 2 0 380.533 0.676 20 0 GCADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000637085211 1192381774 /nfs/dbraw/zinc/38/17/74/1192381774.db2.gz BSNNAOKFRZLQAY-MOPGFXCFSA-N 2 0 376.501 0.643 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000585775145 1192410020 /nfs/dbraw/zinc/41/00/20/1192410020.db2.gz NHYRYDKYZZMITA-GOSISDBHSA-N 2 0 379.549 0.073 20 0 GCADRP CN1CCN(C(=O)CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663620118 1192421617 /nfs/dbraw/zinc/42/16/17/1192421617.db2.gz IRXBXQPKANJFMU-KRWDZBQOSA-N 2 0 381.521 0.047 20 0 GCADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000279023287 1192440359 /nfs/dbraw/zinc/44/03/59/1192440359.db2.gz OVXGLSXRXMTRAE-INIZCTEOSA-N 2 0 384.484 0.708 20 0 GCADRP C[NH+](C)[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000663647275 1192444100 /nfs/dbraw/zinc/44/41/00/1192444100.db2.gz SOIGCTZXLSNNSE-OALUTQOASA-N 2 0 375.517 0.515 20 0 GCADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000433463790 1192486839 /nfs/dbraw/zinc/48/68/39/1192486839.db2.gz AMQWYBLDBJPWBP-SVFBPWRDSA-N 2 0 382.593 0.947 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSc1nnnn1C1CC1 ZINC000512332374 1192611083 /nfs/dbraw/zinc/61/10/83/1192611083.db2.gz UZGNFIDWYCOYAX-OAHLLOKOSA-N 2 0 381.550 0.975 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418608792 1192616967 /nfs/dbraw/zinc/61/69/67/1192616967.db2.gz DXOCFUXWVTVAHX-AWEZNQCLSA-N 2 0 395.470 0.357 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418622648 1192619055 /nfs/dbraw/zinc/61/90/55/1192619055.db2.gz VYIMXIFWWMYOID-HNNXBMFYSA-N 2 0 395.470 0.575 20 0 GCADRP COCC1(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000418618931 1192619546 /nfs/dbraw/zinc/61/95/46/1192619546.db2.gz BAWMAFRSFYGKET-RBUKOAKNSA-N 2 0 390.528 0.937 20 0 GCADRP COCC1(CNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000418618929 1192619709 /nfs/dbraw/zinc/61/97/09/1192619709.db2.gz BAWMAFRSFYGKET-OALUTQOASA-N 2 0 390.528 0.937 20 0 GCADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418630702 1192620725 /nfs/dbraw/zinc/62/07/25/1192620725.db2.gz FZWPLXYXJFEAEM-GGPKGHCWSA-N 2 0 385.512 0.819 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418623398 1192621576 /nfs/dbraw/zinc/62/15/76/1192621576.db2.gz XCJRKHKYCQGAPV-HUUCEWRRSA-N 2 0 395.470 0.575 20 0 GCADRP COC[C@]1(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CCC[NH2+]1 ZINC000418657597 1192625111 /nfs/dbraw/zinc/62/51/11/1192625111.db2.gz RIEBKKCUQXSRIH-IRFCIJBXSA-N 2 0 390.528 0.937 20 0 GCADRP C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000418669472 1192628922 /nfs/dbraw/zinc/62/89/22/1192628922.db2.gz PUBJJFUDDWFPKJ-LESCRADOSA-N 2 0 395.548 0.120 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418755656 1192639498 /nfs/dbraw/zinc/63/94/98/1192639498.db2.gz GBKHOAAHXZCPSP-FQEVSTJZSA-N 2 0 388.560 0.349 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000418765021 1192640288 /nfs/dbraw/zinc/64/02/88/1192640288.db2.gz ATWOBHQOBMOGSF-GOSISDBHSA-N 2 0 387.528 0.525 20 0 GCADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418760243 1192640898 /nfs/dbraw/zinc/64/08/98/1192640898.db2.gz JWWAQSPSVOHEEH-GUDVDZBRSA-N 2 0 375.517 0.072 20 0 GCADRP CC(C)([NH3+])CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418788014 1192644032 /nfs/dbraw/zinc/64/40/32/1192644032.db2.gz UYUMZGZCIGNMRE-UHFFFAOYSA-N 2 0 375.517 0.559 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000418782337 1192644763 /nfs/dbraw/zinc/64/47/63/1192644763.db2.gz NHLGTCREZKJKBO-IEBWSBKVSA-N 2 0 387.528 0.511 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418794881 1192645595 /nfs/dbraw/zinc/64/55/95/1192645595.db2.gz BSLDCMKUWWQSAT-OAQYLSRUSA-N 2 0 392.544 0.597 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418797625 1192647693 /nfs/dbraw/zinc/64/76/93/1192647693.db2.gz GIDGDSSTUOUHFW-QGZVFWFLSA-N 2 0 380.533 0.453 20 0 GCADRP CCCN(C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000418802276 1192648143 /nfs/dbraw/zinc/64/81/43/1192648143.db2.gz JXRNVZVNYQXZEV-SFHVURJKSA-N 2 0 394.560 0.986 20 0 GCADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418804637 1192649590 /nfs/dbraw/zinc/64/95/90/1192649590.db2.gz MLDFZWSSIQZQHH-CALCHBBNSA-N 2 0 378.517 0.063 20 0 GCADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCCC1 ZINC000418807622 1192650436 /nfs/dbraw/zinc/65/04/36/1192650436.db2.gz PWTTWPMIWUONNR-ROUUACIJSA-N 2 0 394.560 0.970 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418808562 1192651254 /nfs/dbraw/zinc/65/12/54/1192651254.db2.gz RECNJLUPCJNKTC-QGZVFWFLSA-N 2 0 380.533 0.596 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1C[NH3+] ZINC000418809364 1192651275 /nfs/dbraw/zinc/65/12/75/1192651275.db2.gz SMECKMBSWWDXOG-MSOLQXFVSA-N 2 0 394.560 0.829 20 0 GCADRP C[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1C[NH3+] ZINC000418809369 1192651590 /nfs/dbraw/zinc/65/15/90/1192651590.db2.gz SMECKMBSWWDXOG-ROUUACIJSA-N 2 0 394.560 0.829 20 0 GCADRP C[C@@H]1CCCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@H]1C[NH3+] ZINC000418809380 1192651616 /nfs/dbraw/zinc/65/16/16/1192651616.db2.gz SNOSVHFRYPUJKC-MSOLQXFVSA-N 2 0 394.560 0.971 20 0 GCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418812769 1192652881 /nfs/dbraw/zinc/65/28/81/1192652881.db2.gz XNSUSTYYKCIXFB-KRWDZBQOSA-N 2 0 380.533 0.501 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C)cc1OC ZINC000418822144 1192658118 /nfs/dbraw/zinc/65/81/18/1192658118.db2.gz AJCLQXPCIFSNLT-CABCVRRESA-N 2 0 380.489 0.522 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])[NH+](C)C)c1 ZINC000418837535 1192662437 /nfs/dbraw/zinc/66/24/37/1192662437.db2.gz ANUMSXHFYQISEX-OLMNPRSZSA-N 2 0 376.501 1.000 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCC1 ZINC000418826275 1192657099 /nfs/dbraw/zinc/65/70/99/1192657099.db2.gz BEYAQJKJGMPWPY-SOLBZPMBSA-N 2 0 386.496 0.626 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000418848160 1192665252 /nfs/dbraw/zinc/66/52/52/1192665252.db2.gz KSEFGOYJSSDSOA-BHYGNILZSA-N 2 0 376.501 0.505 20 0 GCADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[NH+](C)C)c1 ZINC000418847291 1192665304 /nfs/dbraw/zinc/66/53/04/1192665304.db2.gz HTIYHSWHYVOLQN-KANFNMMFSA-N 2 0 388.512 1.000 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000418846560 1192665390 /nfs/dbraw/zinc/66/53/90/1192665390.db2.gz YKRZDRWVFAQZCZ-MRXNPFEDSA-N 2 0 395.548 0.213 20 0 GCADRP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000418852583 1192666153 /nfs/dbraw/zinc/66/61/53/1192666153.db2.gz REUYUWGYJOOEKV-RDJZCZTQSA-N 2 0 390.484 0.053 20 0 GCADRP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000418852582 1192666421 /nfs/dbraw/zinc/66/64/21/1192666421.db2.gz REUYUWGYJOOEKV-NVXWUHKLSA-N 2 0 390.484 0.053 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000418849289 1192667511 /nfs/dbraw/zinc/66/75/11/1192667511.db2.gz MLGQLXFILTVNJY-NVXWUHKLSA-N 2 0 376.501 0.920 20 0 GCADRP C[C@@H]([NH2+]C1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000418865450 1192669776 /nfs/dbraw/zinc/66/97/76/1192669776.db2.gz LWOMIJYOGCMNML-SJLPKXTDSA-N 2 0 388.512 0.952 20 0 GCADRP CC1CC[NH+](C2CCC(NC(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)CC1 ZINC000418859003 1192670087 /nfs/dbraw/zinc/67/00/87/1192670087.db2.gz AMJXYGZCZMBGKL-DAWZGUTISA-N 2 0 380.533 0.640 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000418858757 1192670205 /nfs/dbraw/zinc/67/02/05/1192670205.db2.gz AQANVWLSXACBHW-MOPGFXCFSA-N 2 0 394.560 0.970 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000418862842 1192671667 /nfs/dbraw/zinc/67/16/67/1192671667.db2.gz OXMFYMCSTMMJNA-XHSDSOJGSA-N 2 0 394.541 0.966 20 0 GCADRP CCc1ccc([C@@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418863766 1192672049 /nfs/dbraw/zinc/67/20/49/1192672049.db2.gz PTIHIFQXRLMNQS-QZTJIDSGSA-N 2 0 376.501 0.544 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000418863782 1192672054 /nfs/dbraw/zinc/67/20/54/1192672054.db2.gz PTRRNFBKCRBRED-MJGOQNOKSA-N 2 0 387.528 0.116 20 0 GCADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418865347 1192672360 /nfs/dbraw/zinc/67/23/60/1192672360.db2.gz RMZVOTIRFIHKQW-QFIPXVFZSA-N 2 0 399.539 0.132 20 0 GCADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418869417 1192672839 /nfs/dbraw/zinc/67/28/39/1192672839.db2.gz XDMALWIZKGGVAU-QZTJIDSGSA-N 2 0 376.501 0.680 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418871074 1192673217 /nfs/dbraw/zinc/67/32/17/1192673217.db2.gz ZJCVASPUQZRBOL-SFHVURJKSA-N 2 0 375.517 0.207 20 0 GCADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000418937410 1192694578 /nfs/dbraw/zinc/69/45/78/1192694578.db2.gz LCYXLNWRKLGSPY-MOPGFXCFSA-N 2 0 388.512 0.680 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)Cc1ccccc1 ZINC000418945193 1192697180 /nfs/dbraw/zinc/69/71/80/1192697180.db2.gz PCQAFBUYNOWFQY-SFHVURJKSA-N 2 0 399.499 0.149 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000418953920 1192701022 /nfs/dbraw/zinc/70/10/22/1192701022.db2.gz MLDIOBIYUHRCOZ-BRWVUGGUSA-N 2 0 380.533 0.375 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000418955863 1192701772 /nfs/dbraw/zinc/70/17/72/1192701772.db2.gz RFEACGHNYAEXOK-RKTXRCNFSA-N 2 0 396.532 0.100 20 0 GCADRP C[C@H]1CCCN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H]1C[NH3+] ZINC000418955561 1192701973 /nfs/dbraw/zinc/70/19/73/1192701973.db2.gz QPECPSYVRNIXLF-HOCLYGCPSA-N 2 0 377.489 0.224 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCCC1 ZINC000418959466 1192702264 /nfs/dbraw/zinc/70/22/64/1192702264.db2.gz ZYXKEBOZNFBGAV-IRXDYDNUSA-N 2 0 380.533 0.648 20 0 GCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000418959477 1192702608 /nfs/dbraw/zinc/70/26/08/1192702608.db2.gz ZZXGJTXPGOOWSV-DKIMLUQUSA-N 2 0 380.533 0.504 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)[NH2+]1 ZINC000418962600 1192702864 /nfs/dbraw/zinc/70/28/64/1192702864.db2.gz KUBIPDKGMGTPAV-CALCHBBNSA-N 2 0 388.512 0.986 20 0 GCADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418962630 1192703166 /nfs/dbraw/zinc/70/31/66/1192703166.db2.gz KYWNHVKBSJHQFG-MJGOQNOKSA-N 2 0 386.496 0.598 20 0 GCADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000418970563 1192707327 /nfs/dbraw/zinc/70/73/27/1192707327.db2.gz WSFBBTMQOXTIDG-JZGRTCEGSA-N 2 0 388.512 0.856 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000418995640 1192713161 /nfs/dbraw/zinc/71/31/61/1192713161.db2.gz DCVDNOSSHHFELO-MOPGFXCFSA-N 2 0 388.512 0.863 20 0 GCADRP C[C@@H]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000419002295 1192713871 /nfs/dbraw/zinc/71/38/71/1192713871.db2.gz ZHYDDTLXHOBHBP-SJLPKXTDSA-N 2 0 388.512 0.780 20 0 GCADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419003596 1192714343 /nfs/dbraw/zinc/71/43/43/1192714343.db2.gz DEHJNGQPDILHHC-UHFFFAOYSA-N 2 0 375.517 0.166 20 0 GCADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000419006207 1192716135 /nfs/dbraw/zinc/71/61/35/1192716135.db2.gz HIKOUSBJVHWJNU-SFHVURJKSA-N 2 0 376.501 0.639 20 0 GCADRP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419010967 1192716984 /nfs/dbraw/zinc/71/69/84/1192716984.db2.gz ZJAAZQDYWWVIEV-ROUUACIJSA-N 2 0 376.501 0.589 20 0 GCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000419021046 1192726000 /nfs/dbraw/zinc/72/60/00/1192726000.db2.gz AQIIQMVMXXJUGO-ZWKOTPCHSA-N 2 0 375.517 0.288 20 0 GCADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000419021043 1192726423 /nfs/dbraw/zinc/72/64/23/1192726423.db2.gz AQIIQMVMXXJUGO-MSOLQXFVSA-N 2 0 375.517 0.288 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419026529 1192727836 /nfs/dbraw/zinc/72/78/36/1192727836.db2.gz BNSIOVXEJOPOJP-MRXNPFEDSA-N 2 0 398.573 0.349 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419044391 1192738160 /nfs/dbraw/zinc/73/81/60/1192738160.db2.gz PTLYAGKIKCDDBN-GOEBONIOSA-N 2 0 384.521 0.221 20 0 GCADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@@H](C)C1 ZINC000419044185 1192738311 /nfs/dbraw/zinc/73/83/11/1192738311.db2.gz SOJFLIADKWCUIQ-QAETUUGQSA-N 2 0 398.548 0.469 20 0 GCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419040835 1192738704 /nfs/dbraw/zinc/73/87/04/1192738704.db2.gz XHSDXTMQNIWZQX-MRXNPFEDSA-N 2 0 382.574 0.970 20 0 GCADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000419043537 1192741473 /nfs/dbraw/zinc/74/14/73/1192741473.db2.gz RMRDZLKHUISKRG-KZNAEPCWSA-N 2 0 382.549 0.840 20 0 GCADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000419043538 1192741573 /nfs/dbraw/zinc/74/15/73/1192741573.db2.gz RMRDZLKHUISKRG-OKZBNKHCSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419048243 1192742463 /nfs/dbraw/zinc/74/24/63/1192742463.db2.gz ZSRFHDXTVMXJMY-GOSISDBHSA-N 2 0 376.501 0.808 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419048245 1192742693 /nfs/dbraw/zinc/74/26/93/1192742693.db2.gz ZSRFHDXTVMXJMY-SFHVURJKSA-N 2 0 376.501 0.808 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419046868 1192743639 /nfs/dbraw/zinc/74/36/39/1192743639.db2.gz WNSAFVKZOOLWAN-UHFFFAOYSA-N 2 0 390.528 0.980 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419050602 1192749263 /nfs/dbraw/zinc/74/92/63/1192749263.db2.gz ABKOAAMXICLCIT-CEXWTWQISA-N 2 0 388.512 0.508 20 0 GCADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419061872 1192754952 /nfs/dbraw/zinc/75/49/52/1192754952.db2.gz VKTUNRIZWMKFAR-QZTJIDSGSA-N 2 0 388.512 0.637 20 0 GCADRP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000419062814 1192758772 /nfs/dbraw/zinc/75/87/72/1192758772.db2.gz HDXQPTWAWOHTMK-BFYDXBDKSA-N 2 0 376.501 0.807 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410623563 1192764084 /nfs/dbraw/zinc/76/40/84/1192764084.db2.gz PZBRRGSZHUOMHE-IPMKNSEASA-N 2 0 392.544 0.642 20 0 GCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631833 1192774856 /nfs/dbraw/zinc/77/48/56/1192774856.db2.gz OHFOVTKDEVQEAK-ZIFCJYIRSA-N 2 0 394.560 0.744 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000419102340 1192786303 /nfs/dbraw/zinc/78/63/03/1192786303.db2.gz FBFUBGSOTUHEIW-BLLLJJGKSA-N 2 0 380.464 0.733 20 0 GCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000419102705 1192787102 /nfs/dbraw/zinc/78/71/02/1192787102.db2.gz JCJXJHVZCZPVLE-GOSISDBHSA-N 2 0 388.512 0.770 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000419121752 1192795066 /nfs/dbraw/zinc/79/50/66/1192795066.db2.gz VIXRXROUODZVTC-IRXDYDNUSA-N 2 0 388.516 0.083 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)N1CC[NH+](C)CC1 ZINC000419127669 1192797770 /nfs/dbraw/zinc/79/77/70/1192797770.db2.gz RWDDQICCXOGQLZ-MSOLQXFVSA-N 2 0 381.565 0.398 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000419112331 1192799190 /nfs/dbraw/zinc/79/91/90/1192799190.db2.gz JXPDCFZYBRYHRK-RDJZCZTQSA-N 2 0 388.516 0.178 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419114721 1192801148 /nfs/dbraw/zinc/80/11/48/1192801148.db2.gz SIGUHFKXZVTEDG-CGTJXYLNSA-N 2 0 376.501 0.588 20 0 GCADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132080 1192806249 /nfs/dbraw/zinc/80/62/49/1192806249.db2.gz AUTIEKPNBYHNJJ-NQIIRXRSSA-N 2 0 388.512 0.591 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132078 1192806396 /nfs/dbraw/zinc/80/63/96/1192806396.db2.gz AUTIEKPNBYHNJJ-GHTZIAJQSA-N 2 0 388.512 0.591 20 0 GCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419150666 1192810393 /nfs/dbraw/zinc/81/03/93/1192810393.db2.gz MTWAZRBOLBYXST-OAGGEKHMSA-N 2 0 376.526 0.754 20 0 GCADRP O=C1[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)CCN1c1ccc(F)cc1 ZINC000419141038 1192812620 /nfs/dbraw/zinc/81/26/20/1192812620.db2.gz KGJUTQHOTFYLIP-IBGZPJMESA-N 2 0 378.492 0.911 20 0 GCADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419156846 1192817058 /nfs/dbraw/zinc/81/70/58/1192817058.db2.gz VUQAUIDHFLXZGT-UXLLHSPISA-N 2 0 376.526 0.897 20 0 GCADRP C[C@H](NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000419146804 1192815129 /nfs/dbraw/zinc/81/51/29/1192815129.db2.gz IODAIEKCSZMGGS-JKSUJKDBSA-N 2 0 376.501 0.748 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419155675 1192815924 /nfs/dbraw/zinc/81/59/24/1192815924.db2.gz UFNXGCXUKBPQMQ-QIIPPGSGSA-N 2 0 392.450 0.879 20 0 GCADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419156845 1192816958 /nfs/dbraw/zinc/81/69/58/1192816958.db2.gz VUQAUIDHFLXZGT-INMHGKMJSA-N 2 0 376.526 0.897 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000419159457 1192817500 /nfs/dbraw/zinc/81/75/00/1192817500.db2.gz ZDPGMBYRNZVBJF-KRWDZBQOSA-N 2 0 392.500 0.113 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159195 1192818303 /nfs/dbraw/zinc/81/83/03/1192818303.db2.gz YZLOTUVUQZIZNA-GOEBONIOSA-N 2 0 392.500 0.472 20 0 GCADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419163551 1192820784 /nfs/dbraw/zinc/82/07/84/1192820784.db2.gz LOYOQKAMEKYVFG-MOPGFXCFSA-N 2 0 390.528 0.754 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1(C)C ZINC000419165068 1192822122 /nfs/dbraw/zinc/82/21/22/1192822122.db2.gz AVIDMCDHTTUWAB-UHFFFAOYSA-N 2 0 389.544 0.506 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)[NH2+]1 ZINC000419166087 1192822597 /nfs/dbraw/zinc/82/25/97/1192822597.db2.gz OFOPWQVMZFHZKP-SCTDSRPQSA-N 2 0 388.512 0.603 20 0 GCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419166578 1192822713 /nfs/dbraw/zinc/82/27/13/1192822713.db2.gz HMINNAYVKIXZKO-IRXDYDNUSA-N 2 0 395.548 0.071 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000419167290 1192823736 /nfs/dbraw/zinc/82/37/36/1192823736.db2.gz QKJRVEMHRKLNBB-RTBURBONSA-N 2 0 388.512 0.462 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000512520288 1192828528 /nfs/dbraw/zinc/82/85/28/1192828528.db2.gz YVVBUCOPEULXGU-UHFFFAOYSA-N 2 0 391.516 0.695 20 0 GCADRP COc1cc(C[NH+](C)[C@]2(CO)CCOC2)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1 ZINC000432868764 1192831167 /nfs/dbraw/zinc/83/11/67/1192831167.db2.gz XOLGZXKXDTYWKF-SFTDATJTSA-N 2 0 394.512 0.862 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419198330 1192836372 /nfs/dbraw/zinc/83/63/72/1192836372.db2.gz CDRNZYJUGUASHA-PMPSAXMXSA-N 2 0 376.501 0.623 20 0 GCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000419198362 1192836848 /nfs/dbraw/zinc/83/68/48/1192836848.db2.gz CGWYJIKVEUYYOG-OAHLLOKOSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000419197735 1192837525 /nfs/dbraw/zinc/83/75/25/1192837525.db2.gz CAMZGXQPCWDPPB-GPMSIDNRSA-N 2 0 388.512 0.862 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000419203916 1192850213 /nfs/dbraw/zinc/85/02/13/1192850213.db2.gz OLGSCFGXWTZMEG-WMZOPIPTSA-N 2 0 376.501 0.589 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893742961 1192847436 /nfs/dbraw/zinc/84/74/36/1192847436.db2.gz NPJHTLDQKMTBGZ-MANSERQUSA-N 2 0 380.533 0.605 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419209342 1192887586 /nfs/dbraw/zinc/88/75/86/1192887586.db2.gz PEDCIJPYQYVQGX-CEXWTWQISA-N 2 0 388.512 0.732 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419209347 1192888623 /nfs/dbraw/zinc/88/86/23/1192888623.db2.gz PEDCIJPYQYVQGX-GUDVDZBRSA-N 2 0 388.512 0.732 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419209917 1192894573 /nfs/dbraw/zinc/89/45/73/1192894573.db2.gz XDFIIDAWNIZZBJ-YTQUADARSA-N 2 0 390.528 0.978 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419213501 1192901712 /nfs/dbraw/zinc/90/17/12/1192901712.db2.gz LJPIVFMTFPOEDK-PMPSAXMXSA-N 2 0 376.501 0.766 20 0 GCADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000419213983 1192907270 /nfs/dbraw/zinc/90/72/70/1192907270.db2.gz LWZKAOUSCAEMGM-GPMSIDNRSA-N 2 0 388.512 0.732 20 0 GCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000419217810 1192916519 /nfs/dbraw/zinc/91/65/19/1192916519.db2.gz REWGSTUDZUFDIX-NVXWUHKLSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000410934768 1192916737 /nfs/dbraw/zinc/91/67/37/1192916737.db2.gz CANYKZFLECQEAJ-KRWDZBQOSA-N 2 0 396.576 0.870 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000419218200 1192918154 /nfs/dbraw/zinc/91/81/54/1192918154.db2.gz RUJBDPZYWVJMNK-GVDBMIGSSA-N 2 0 388.512 0.732 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000419218213 1192918180 /nfs/dbraw/zinc/91/81/80/1192918180.db2.gz RUVSCVYTEAZAQN-UHFFFAOYSA-N 2 0 376.501 0.701 20 0 GCADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419217749 1192919224 /nfs/dbraw/zinc/91/92/24/1192919224.db2.gz QVPFFZBAGQDEFW-INIZCTEOSA-N 2 0 376.501 0.314 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000419220200 1192921238 /nfs/dbraw/zinc/92/12/38/1192921238.db2.gz UWUKBAGPTSSGEI-HOTGVXAUSA-N 2 0 376.501 0.638 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000428743146 1192922654 /nfs/dbraw/zinc/92/26/54/1192922654.db2.gz VVXXSXACVAXZEG-WBVHZDCISA-N 2 0 381.521 0.221 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000274621046 1184124127 /nfs/dbraw/zinc/12/41/27/1184124127.db2.gz FVWYRCDRDGMKSN-MRXNPFEDSA-N 2 0 382.505 0.920 20 0 GCADRP CC[N@H+](CCO)CCNC(=O)NCCC[NH+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000274680769 1184182571 /nfs/dbraw/zinc/18/25/71/1184182571.db2.gz RHCDMVHVCWBFEG-HXUWFJFHSA-N 2 0 391.560 0.979 20 0 GCADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418559467 1184216841 /nfs/dbraw/zinc/21/68/41/1184216841.db2.gz CLXBQZDGFJGJPG-KSZLIROESA-N 2 0 375.517 0.845 20 0 GCADRP COc1c(F)cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000547646606 1184220457 /nfs/dbraw/zinc/22/04/57/1184220457.db2.gz KGCJKXKJLXQHPT-UHFFFAOYSA-N 2 0 392.453 0.856 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000579813522 1184241971 /nfs/dbraw/zinc/24/19/71/1184241971.db2.gz XUQFJOJUEFHBKF-SFHVURJKSA-N 2 0 395.592 0.757 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418799522 1184255382 /nfs/dbraw/zinc/25/53/82/1184255382.db2.gz IDDRIXGLPOPSOJ-SJORKVTESA-N 2 0 380.533 0.771 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000418799520 1184255778 /nfs/dbraw/zinc/25/57/78/1184255778.db2.gz IDDRIXGLPOPSOJ-IAGOWNOFSA-N 2 0 380.533 0.771 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000520857157 1184274148 /nfs/dbraw/zinc/27/41/48/1184274148.db2.gz JWSHJPKRKCQQJL-UHFFFAOYSA-N 2 0 381.565 0.319 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000471181806 1184364560 /nfs/dbraw/zinc/36/45/60/1184364560.db2.gz HXRIANAFEMSLBC-MRXNPFEDSA-N 2 0 383.537 0.027 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000245941381 1184366646 /nfs/dbraw/zinc/36/66/46/1184366646.db2.gz VCTCYENGMSMGQB-QZTJIDSGSA-N 2 0 379.549 0.215 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCc2n[nH]c(=O)cc2C1 ZINC000274908564 1184422714 /nfs/dbraw/zinc/42/27/14/1184422714.db2.gz GQWCSWTYGREBEB-UHFFFAOYSA-N 2 0 397.483 0.445 20 0 GCADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000471219699 1184463559 /nfs/dbraw/zinc/46/35/59/1184463559.db2.gz IYSUGUJAWTUANG-CQSZACIVSA-N 2 0 383.537 0.637 20 0 GCADRP CN1CC[NH+](CCCCNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000547775013 1184544653 /nfs/dbraw/zinc/54/46/53/1184544653.db2.gz QXIQFRKHVYSYRR-UHFFFAOYSA-N 2 0 382.597 0.729 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000610250405 1184576823 /nfs/dbraw/zinc/57/68/23/1184576823.db2.gz DHGMNYAAYHTDNL-FQEVSTJZSA-N 2 0 377.577 0.830 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)CC1 ZINC000683373871 1184610718 /nfs/dbraw/zinc/61/07/18/1184610718.db2.gz LIQFONFDCKSRLL-UHFFFAOYSA-N 2 0 394.608 0.681 20 0 GCADRP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001167197173 1184627366 /nfs/dbraw/zinc/62/73/66/1184627366.db2.gz CPDMOWDXOKQNHH-AWEZNQCLSA-N 2 0 394.497 0.176 20 0 GCADRP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275518399 1184695954 /nfs/dbraw/zinc/69/59/54/1184695954.db2.gz DUBAKYXXNFWHGQ-UHFFFAOYSA-N 2 0 389.544 0.873 20 0 GCADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000275554023 1184709458 /nfs/dbraw/zinc/70/94/58/1184709458.db2.gz GOWSHZUKKSVKON-UHFFFAOYSA-N 2 0 389.544 0.871 20 0 GCADRP COc1ncc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1C(N)=O ZINC000275574338 1184726823 /nfs/dbraw/zinc/72/68/23/1184726823.db2.gz DWTFEYTWPBWDCF-UHFFFAOYSA-N 2 0 390.488 0.869 20 0 GCADRP C[N@@H+]1CC[C@H]2OCCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000332767661 1184745758 /nfs/dbraw/zinc/74/57/58/1184745758.db2.gz GUJSRPFGPANXNF-RTBURBONSA-N 2 0 394.560 0.543 20 0 GCADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C)C1 ZINC000332831873 1184746904 /nfs/dbraw/zinc/74/69/04/1184746904.db2.gz FKHLMKHDGZABPD-UKBAYJJMSA-N 2 0 382.549 0.851 20 0 GCADRP CC1(C)CCC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000683561991 1184777547 /nfs/dbraw/zinc/77/75/47/1184777547.db2.gz GGYGANVTSADFKV-GOSISDBHSA-N 2 0 381.565 0.814 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000642732924 1184817934 /nfs/dbraw/zinc/81/79/34/1184817934.db2.gz CZDGPWJYCXIMTL-RBUKOAKNSA-N 2 0 387.528 0.302 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[N@@H+]1CCCOCC1 ZINC000275688358 1184929865 /nfs/dbraw/zinc/92/98/65/1184929865.db2.gz VPLPLCGQNNRLNX-UHFFFAOYSA-N 3 0 390.532 0.615 20 0 GCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656027586 1184963001 /nfs/dbraw/zinc/96/30/01/1184963001.db2.gz DNOAJUHTZFRYGQ-NCXUSEDFSA-N 2 0 392.544 0.864 20 0 GCADRP Cc1nnc(N2CC[C@H](C(N)=O)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001707878490 1184968227 /nfs/dbraw/zinc/96/82/27/1184968227.db2.gz KEFYAXNDFHEDFC-KRWDZBQOSA-N 2 0 398.515 0.505 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000656068398 1185005052 /nfs/dbraw/zinc/00/50/52/1185005052.db2.gz XOGGHRWGLXHADU-QGZVFWFLSA-N 2 0 382.549 0.888 20 0 GCADRP C[C@@H](N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1)C(F)(F)F ZINC000580045182 1185032388 /nfs/dbraw/zinc/03/23/88/1185032388.db2.gz QDNWFAPJBGWHNK-CQSZACIVSA-N 2 0 395.470 0.033 20 0 GCADRP O=C(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000580184555 1185109916 /nfs/dbraw/zinc/10/99/16/1185109916.db2.gz HHDIHEAOYGUJBA-FUMNGEBKSA-N 2 0 382.508 0.787 20 0 GCADRP O=C(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000580184556 1185110163 /nfs/dbraw/zinc/11/01/63/1185110163.db2.gz HHDIHEAOYGUJBA-IYWMVGAKSA-N 2 0 382.508 0.787 20 0 GCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000564825275 1185223807 /nfs/dbraw/zinc/22/38/07/1185223807.db2.gz YORWTIRDULNHNP-MRXNPFEDSA-N 2 0 380.533 0.533 20 0 GCADRP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000580458434 1185236930 /nfs/dbraw/zinc/23/69/30/1185236930.db2.gz PIQYWDKUYRQVKM-SFHVURJKSA-N 2 0 389.544 0.234 20 0 GCADRP CC(C)(CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCCCC1 ZINC000580476857 1185245403 /nfs/dbraw/zinc/24/54/03/1185245403.db2.gz MFAPTKQKHCGKAK-MSOLQXFVSA-N 2 0 394.560 0.861 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000580477456 1185246207 /nfs/dbraw/zinc/24/62/07/1185246207.db2.gz OVWHTZRMRRNNPO-PKOBYXMFSA-N 2 0 390.528 0.850 20 0 GCADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC000580531741 1185262708 /nfs/dbraw/zinc/26/27/08/1185262708.db2.gz KFKQTMRBHWCJDW-FUHIMQAGSA-N 2 0 389.544 0.999 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C[C@@H](C)O1 ZINC000580531743 1185263155 /nfs/dbraw/zinc/26/31/55/1185263155.db2.gz KFKQTMRBHWCJDW-MBOZVWFJSA-N 2 0 389.544 0.999 20 0 GCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC000275905732 1185265329 /nfs/dbraw/zinc/26/53/29/1185265329.db2.gz IWAQITMXNNUUIA-HOTGVXAUSA-N 2 0 376.505 0.432 20 0 GCADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580561823 1185276505 /nfs/dbraw/zinc/27/65/05/1185276505.db2.gz YVQQDIKYSDBZLH-RBUKOAKNSA-N 2 0 388.512 0.652 20 0 GCADRP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000564605500 1185277716 /nfs/dbraw/zinc/27/77/16/1185277716.db2.gz OYEVIIDYGIUNFR-WMZOPIPTSA-N 2 0 382.549 0.791 20 0 GCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000580569625 1185277810 /nfs/dbraw/zinc/27/78/10/1185277810.db2.gz YINMLKOFYPLYIM-MRXNPFEDSA-N 2 0 376.505 0.021 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000557302239 1185287523 /nfs/dbraw/zinc/28/75/23/1185287523.db2.gz PQAGGXFXRCVSSF-UHFFFAOYSA-N 2 0 382.549 0.840 20 0 GCADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000047978152 1185297022 /nfs/dbraw/zinc/29/70/22/1185297022.db2.gz WRLAGOLEOMIQHC-UHFFFAOYSA-N 2 0 381.565 0.273 20 0 GCADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000275943425 1185329063 /nfs/dbraw/zinc/32/90/63/1185329063.db2.gz XXYBMLDWIRYJAJ-UHFFFAOYSA-N 2 0 391.516 0.509 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656293607 1185352470 /nfs/dbraw/zinc/35/24/70/1185352470.db2.gz KZVOOJZMDNCZDA-MSOLQXFVSA-N 2 0 379.549 0.262 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000656300993 1185368128 /nfs/dbraw/zinc/36/81/28/1185368128.db2.gz WUVWYNNJWMXIGJ-KRWDZBQOSA-N 2 0 381.565 0.319 20 0 GCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000580845235 1185394795 /nfs/dbraw/zinc/39/47/95/1185394795.db2.gz VLJPTALWSJBPQU-QZTJIDSGSA-N 2 0 399.495 0.034 20 0 GCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000580845238 1185394969 /nfs/dbraw/zinc/39/49/69/1185394969.db2.gz VLJPTALWSJBPQU-ROUUACIJSA-N 2 0 399.495 0.034 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000580852169 1185396241 /nfs/dbraw/zinc/39/62/41/1185396241.db2.gz DIWGRENUOCSVDL-UHFFFAOYSA-N 2 0 397.545 0.927 20 0 GCADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401177 /nfs/dbraw/zinc/40/11/77/1185401177.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 2 0 391.560 0.404 20 0 GCADRP CC(C)[NH2+]CCCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000580882558 1185403013 /nfs/dbraw/zinc/40/30/13/1185403013.db2.gz COMOKQDVWQQHLS-UHFFFAOYSA-N 2 0 382.549 0.890 20 0 GCADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000656316964 1185403104 /nfs/dbraw/zinc/40/31/04/1185403104.db2.gz AXFXQWSEDYIQCL-IRXDYDNUSA-N 2 0 379.549 0.262 20 0 GCADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000580904536 1185411726 /nfs/dbraw/zinc/41/17/26/1185411726.db2.gz WFLSDIOLOXXBIW-HUUCEWRRSA-N 2 0 381.546 0.301 20 0 GCADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000580904535 1185411914 /nfs/dbraw/zinc/41/19/14/1185411914.db2.gz WFLSDIOLOXXBIW-GJZGRUSLSA-N 2 0 381.546 0.301 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CCCO1 ZINC000656326133 1185418511 /nfs/dbraw/zinc/41/85/11/1185418511.db2.gz IQZXCUVCNHDUOV-FGTMMUONSA-N 2 0 380.533 0.737 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000656326136 1185419136 /nfs/dbraw/zinc/41/91/36/1185419136.db2.gz IQZXCUVCNHDUOV-SQNIBIBYSA-N 2 0 380.533 0.737 20 0 GCADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)C2)CC1 ZINC000580938445 1185433999 /nfs/dbraw/zinc/43/39/99/1185433999.db2.gz ILZGTSQOSIMWSV-SFHVURJKSA-N 2 0 393.576 0.556 20 0 GCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCO1 ZINC000642796501 1185434079 /nfs/dbraw/zinc/43/40/79/1185434079.db2.gz OSGUYHBXUQUIQL-TXPKVOOTSA-N 2 0 388.512 0.903 20 0 GCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656360880 1185465494 /nfs/dbraw/zinc/46/54/94/1185465494.db2.gz WZCGCPBTOXYTIC-MOPGFXCFSA-N 2 0 392.544 0.690 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000581025963 1185470777 /nfs/dbraw/zinc/47/07/77/1185470777.db2.gz NTOLIZSUJFDUGJ-IBGZPJMESA-N 2 0 387.528 0.302 20 0 GCADRP C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000581092738 1185491482 /nfs/dbraw/zinc/49/14/82/1185491482.db2.gz ZELXEDZYLYXNIE-OALUTQOASA-N 2 0 394.560 0.938 20 0 GCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000581086542 1185491548 /nfs/dbraw/zinc/49/15/48/1185491548.db2.gz GVXNECHEBOWJDC-KRWDZBQOSA-N 3 0 383.581 0.565 20 0 GCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419415953 1185506132 /nfs/dbraw/zinc/50/61/32/1185506132.db2.gz IOCNHIWHPZAVPK-MSOLQXFVSA-N 2 0 387.528 0.701 20 0 GCADRP C[NH2+]CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419421369 1185506321 /nfs/dbraw/zinc/50/63/21/1185506321.db2.gz OXPJIKIXFKCJBH-GOSISDBHSA-N 2 0 375.517 0.159 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000684150434 1185507242 /nfs/dbraw/zinc/50/72/42/1185507242.db2.gz XISNIPVUDCRMLN-UHFFFAOYSA-N 2 0 375.473 0.314 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC(C[NH+]3CCOCC3)CC1)CC[NH2+]CC2 ZINC000581198172 1185528781 /nfs/dbraw/zinc/52/87/81/1185528781.db2.gz NCLTVIQDHPOWDF-QGZVFWFLSA-N 2 0 392.544 0.548 20 0 GCADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000891362532 1185535852 /nfs/dbraw/zinc/53/58/52/1185535852.db2.gz ABLMWMBWOJWUID-KURKYZTESA-N 2 0 387.484 0.825 20 0 GCADRP C[C@H](CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000581329897 1185596751 /nfs/dbraw/zinc/59/67/51/1185596751.db2.gz IZJBUSKYLXNKIQ-GOSISDBHSA-N 2 0 394.560 0.938 20 0 GCADRP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346806 1185618028 /nfs/dbraw/zinc/61/80/28/1185618028.db2.gz KBTOJQLBGQZFGC-BRSBDYLESA-N 2 0 382.549 0.648 20 0 GCADRP CC[NH2+]CC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430570742 1185619629 /nfs/dbraw/zinc/61/96/29/1185619629.db2.gz GXWVOELRWBOFBL-UHFFFAOYSA-N 2 0 396.557 0.704 20 0 GCADRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCc1ccnn1C ZINC001104346952 1185620045 /nfs/dbraw/zinc/62/00/45/1185620045.db2.gz MQCNYNBKXWLFCB-YWTNHNAXSA-N 2 0 377.533 0.756 20 0 GCADRP C[NH+](C)CCOCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000471648977 1185647320 /nfs/dbraw/zinc/64/73/20/1185647320.db2.gz WXRITBBXQBWAAV-MOPGFXCFSA-N 2 0 378.517 0.747 20 0 GCADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891393985 1185681206 /nfs/dbraw/zinc/68/12/06/1185681206.db2.gz FHFYFEDREZTFOL-XHSDSOJGSA-N 2 0 379.505 0.826 20 0 GCADRP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430602396 1185689839 /nfs/dbraw/zinc/68/98/39/1185689839.db2.gz HFGJHTYLQHPXFB-MRXNPFEDSA-N 2 0 394.491 0.840 20 0 GCADRP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606005 1185700253 /nfs/dbraw/zinc/70/02/53/1185700253.db2.gz VEVDTSRTINSEKG-GDBMZVCRSA-N 2 0 394.491 0.968 20 0 GCADRP O=C([C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1)N1CC[NH2+]CC1 ZINC000430608747 1185737920 /nfs/dbraw/zinc/73/79/20/1185737920.db2.gz FZDAFOJWUGUQDF-AWEZNQCLSA-N 2 0 389.887 0.992 20 0 GCADRP C[NH+](C)[C@H]1CCCN(C(=O)COCC(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000581525310 1185744579 /nfs/dbraw/zinc/74/45/79/1185744579.db2.gz YSYRGWZOOFUMBF-ROUUACIJSA-N 2 0 382.549 0.888 20 0 GCADRP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609196 1185752410 /nfs/dbraw/zinc/75/24/10/1185752410.db2.gz HICWRZVLBXDUQD-KRWDZBQOSA-N 2 0 376.501 0.626 20 0 GCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430609148 1185754881 /nfs/dbraw/zinc/75/48/81/1185754881.db2.gz GYNFSPGSTNUTDH-AWEZNQCLSA-N 2 0 382.892 0.622 20 0 GCADRP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430612948 1185764080 /nfs/dbraw/zinc/76/40/80/1185764080.db2.gz TXLCYKWEAPPYSN-WMZOPIPTSA-N 2 0 388.512 0.844 20 0 GCADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430612405 1185765044 /nfs/dbraw/zinc/76/50/44/1185765044.db2.gz REUVRTDWNQWTGQ-MRXNPFEDSA-N 2 0 392.500 0.449 20 0 GCADRP O=C([C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621734 1185797835 /nfs/dbraw/zinc/79/78/35/1185797835.db2.gz DCWKYAUARBKTMO-INIZCTEOSA-N 2 0 380.514 0.109 20 0 GCADRP CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430622571 1185800106 /nfs/dbraw/zinc/80/01/06/1185800106.db2.gz FPQVNOFTFTZOAL-KRWDZBQOSA-N 2 0 376.501 0.879 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1cccc(F)c1 ZINC000430622412 1185803454 /nfs/dbraw/zinc/80/34/54/1185803454.db2.gz FVOQUIXTSWAGRY-INIZCTEOSA-N 2 0 392.475 0.465 20 0 GCADRP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430625014 1185806564 /nfs/dbraw/zinc/80/65/64/1185806564.db2.gz JWNFBVMWZHLCIG-QGZVFWFLSA-N 2 0 376.501 0.831 20 0 GCADRP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430626477 1185811318 /nfs/dbraw/zinc/81/13/18/1185811318.db2.gz LCVOWXOZJOXAIM-AEFFLSMTSA-N 2 0 388.512 0.844 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCc1ccc(F)cc1 ZINC000430629303 1185817938 /nfs/dbraw/zinc/81/79/38/1185817938.db2.gz WGFLOUZQFVDEQN-QGZVFWFLSA-N 2 0 376.476 0.628 20 0 GCADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633095 1185821790 /nfs/dbraw/zinc/82/17/90/1185821790.db2.gz BIJQPNNURFBKQW-SFHVURJKSA-N 2 0 388.512 0.797 20 0 GCADRP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891445295 1185825266 /nfs/dbraw/zinc/82/52/66/1185825266.db2.gz KWMMWIHQQICPOS-HNNXBMFYSA-N 2 0 382.459 0.877 20 0 GCADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc2c(c1)OCO2 ZINC000430636480 1185834714 /nfs/dbraw/zinc/83/47/14/1185834714.db2.gz JHQLDCQUGNGUAL-MRXNPFEDSA-N 2 0 388.468 0.175 20 0 GCADRP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637661 1185837969 /nfs/dbraw/zinc/83/79/69/1185837969.db2.gz DHEMNTQWWMIKSG-KRWDZBQOSA-N 2 0 376.501 0.667 20 0 GCADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430638725 1185841517 /nfs/dbraw/zinc/84/15/17/1185841517.db2.gz DCXCGQNMFRTSLW-SFHVURJKSA-N 2 0 388.512 0.797 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430639896 1185843051 /nfs/dbraw/zinc/84/30/51/1185843051.db2.gz GPRAPAJPQXYANQ-QGZVFWFLSA-N 2 0 384.484 0.275 20 0 GCADRP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430642392 1185854604 /nfs/dbraw/zinc/85/46/04/1185854604.db2.gz KECOPALFPDDIKA-AEFFLSMTSA-N 2 0 386.496 0.944 20 0 GCADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2sccc2C1 ZINC000430648174 1185865420 /nfs/dbraw/zinc/86/54/20/1185865420.db2.gz HERFAAAWPRVPQW-INIZCTEOSA-N 2 0 376.526 0.777 20 0 GCADRP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000581734419 1185871285 /nfs/dbraw/zinc/87/12/85/1185871285.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 0 384.609 0.931 20 0 GCADRP COCCC1(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000891481747 1185887077 /nfs/dbraw/zinc/88/70/77/1185887077.db2.gz GKKFNBXSYABJPM-MRXNPFEDSA-N 2 0 383.537 0.387 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891483486 1185887192 /nfs/dbraw/zinc/88/71/92/1185887192.db2.gz QJMXKGGCZLWFDW-KGLIPLIRSA-N 2 0 375.464 0.473 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484811 1185887683 /nfs/dbraw/zinc/88/76/83/1185887683.db2.gz YDLXDBQEJHTVLN-IRXDYDNUSA-N 2 0 395.548 0.387 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C[NH+]1CCCC1 ZINC000581839620 1185910307 /nfs/dbraw/zinc/91/03/07/1185910307.db2.gz QSGIETHGBYJMSE-NZSAHSFTSA-N 2 0 394.560 0.719 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558981 1185918574 /nfs/dbraw/zinc/91/85/74/1185918574.db2.gz CKJRYCSOHYJYTF-KCQAQPDRSA-N 2 0 377.455 0.934 20 0 GCADRP [NH3+][C@@H](CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000891567866 1185923500 /nfs/dbraw/zinc/92/35/00/1185923500.db2.gz XKGLNZFTMWIUON-VQTJNVASSA-N 2 0 389.544 0.652 20 0 GCADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000891576775 1185924912 /nfs/dbraw/zinc/92/49/12/1185924912.db2.gz UFGROMSYIWTAIJ-SJLPKXTDSA-N 2 0 380.533 0.945 20 0 GCADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430671301 1185944390 /nfs/dbraw/zinc/94/43/90/1185944390.db2.gz XKVCMLKPTSXIKY-HNNXBMFYSA-N 2 0 378.473 0.107 20 0 GCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891670073 1185963997 /nfs/dbraw/zinc/96/39/97/1185963997.db2.gz NISFWHYVANVISW-VQHPVUNQSA-N 2 0 379.505 0.541 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419898360 1185976424 /nfs/dbraw/zinc/97/64/24/1185976424.db2.gz PLLRYSFYENKMLU-XMTFNYHQSA-N 2 0 379.549 0.390 20 0 GCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000891693817 1185980264 /nfs/dbraw/zinc/98/02/64/1185980264.db2.gz GTFPRIRMYFUBOP-BZSNNMDCSA-N 2 0 380.533 0.822 20 0 GCADRP C[C@@H](NC(=O)NCCN1CCN(c2ncccn2)CC1)C(C)(C)C[NH+](C)C ZINC000085359521 1185989208 /nfs/dbraw/zinc/98/92/08/1185989208.db2.gz FTXBTLBSDDXHLQ-MRXNPFEDSA-N 2 0 377.537 0.874 20 0 GCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000581944232 1186000888 /nfs/dbraw/zinc/00/08/88/1186000888.db2.gz XRZUWWZVBPTBCD-APWZRJJASA-N 2 0 390.484 0.392 20 0 GCADRP CCN(CC)C(=O)CN1CCCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430768451 1186027455 /nfs/dbraw/zinc/02/74/55/1186027455.db2.gz LBJHDOBSWJUKEF-UHFFFAOYSA-N 2 0 391.520 0.219 20 0 GCADRP C[C@H](CO)N(C[C@H](C)O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276766006 1186035347 /nfs/dbraw/zinc/03/53/47/1186035347.db2.gz NPTOQPJWQKSMPN-SJORKVTESA-N 2 0 379.505 0.367 20 0 GCADRP C[C@H](CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733059 1186048472 /nfs/dbraw/zinc/04/84/72/1186048472.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 2 0 377.577 0.258 20 0 GCADRP C[NH2+]CC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000430934771 1186057880 /nfs/dbraw/zinc/05/78/80/1186057880.db2.gz NSDZAEVTWQQLFM-UHFFFAOYSA-N 2 0 388.512 0.707 20 0 GCADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430956833 1186067399 /nfs/dbraw/zinc/06/73/99/1186067399.db2.gz MJDAYHNYNPFDFF-KGLIPLIRSA-N 2 0 382.530 0.831 20 0 GCADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430956832 1186067636 /nfs/dbraw/zinc/06/76/36/1186067636.db2.gz MJDAYHNYNPFDFF-KBPBESRZSA-N 2 0 382.530 0.831 20 0 GCADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891858531 1186101064 /nfs/dbraw/zinc/10/10/64/1186101064.db2.gz QHZKKSUVGJEVBD-BBWFWOEESA-N 2 0 377.489 0.437 20 0 GCADRP COCC[C@]1(C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC[NH2+]C1 ZINC000431017706 1186104490 /nfs/dbraw/zinc/10/44/90/1186104490.db2.gz RLUORAPBHPDKAD-UYAOXDASSA-N 2 0 382.549 0.256 20 0 GCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865447 1186107089 /nfs/dbraw/zinc/10/70/89/1186107089.db2.gz PGTRIXDWIGWRNF-FZKCQIBNSA-N 2 0 379.505 0.683 20 0 GCADRP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431036436 1186110069 /nfs/dbraw/zinc/11/00/69/1186110069.db2.gz WKDWNBZLUBJUPW-AWEZNQCLSA-N 2 0 392.525 0.687 20 0 GCADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000431034238 1186110238 /nfs/dbraw/zinc/11/02/38/1186110238.db2.gz UTTORICCPYTHJN-CABCVRRESA-N 2 0 394.541 0.975 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)C2)CC1 ZINC000610731876 1186155856 /nfs/dbraw/zinc/15/58/56/1186155856.db2.gz NFMTYVBTLJJQBC-LJQANCHMSA-N 2 0 394.608 0.822 20 0 GCADRP O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891917795 1186158628 /nfs/dbraw/zinc/15/86/28/1186158628.db2.gz IADNAMAQLFJZTC-ZACQAIPSSA-N 2 0 379.505 0.829 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000563092776 1186223293 /nfs/dbraw/zinc/22/32/93/1186223293.db2.gz KRQRZGBILBIOSM-IAGOWNOFSA-N 2 0 377.537 0.648 20 0 GCADRP Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](C)N1CCOCC1 ZINC001707912772 1186268952 /nfs/dbraw/zinc/26/89/52/1186268952.db2.gz FYFGMDNHWBESGM-IRXDYDNUSA-N 2 0 392.548 0.997 20 0 GCADRP Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001707913366 1186269421 /nfs/dbraw/zinc/26/94/21/1186269421.db2.gz ZNZFNHQMAVPJJF-BEFAXECRSA-N 2 0 378.521 0.343 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)CC2)CC1 ZINC000151541642 1186291605 /nfs/dbraw/zinc/29/16/05/1186291605.db2.gz IMDVKZMOGYCPMN-UHFFFAOYSA-N 2 0 381.565 0.643 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000236841663 1186291790 /nfs/dbraw/zinc/29/17/90/1186291790.db2.gz JOGAZLRHTBLCLV-UHFFFAOYSA-N 2 0 391.520 0.137 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCSC1 ZINC000431284775 1186318789 /nfs/dbraw/zinc/31/87/89/1186318789.db2.gz WKEUKFMSCGVXEK-GOSISDBHSA-N 2 0 385.578 0.715 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000582016527 1186348655 /nfs/dbraw/zinc/34/86/55/1186348655.db2.gz BZLUNLVBCWXDAN-UHFFFAOYSA-N 2 0 395.592 0.852 20 0 GCADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000892132746 1186363670 /nfs/dbraw/zinc/36/36/70/1186363670.db2.gz ULJCLAKOPLJKID-ABHNRTSZSA-N 2 0 379.549 0.661 20 0 GCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000582017264 1186372781 /nfs/dbraw/zinc/37/27/81/1186372781.db2.gz ISYKSDBHISFYKB-GOSISDBHSA-N 2 0 395.592 0.757 20 0 GCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892156990 1186380437 /nfs/dbraw/zinc/38/04/37/1186380437.db2.gz UGXPMUFRRVYQIE-LSDHHAIUSA-N 2 0 375.464 0.079 20 0 GCADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)c(C)c2)CC1 ZINC000892221072 1186464344 /nfs/dbraw/zinc/46/43/44/1186464344.db2.gz MGAQWNPKNWVGDI-UHFFFAOYSA-N 2 0 391.516 0.116 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000582236523 1186469239 /nfs/dbraw/zinc/46/92/39/1186469239.db2.gz ZNWRDVRNCPXMRK-UHFFFAOYSA-N 2 0 395.569 0.853 20 0 GCADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582240518 1186471962 /nfs/dbraw/zinc/47/19/62/1186471962.db2.gz VKNVXUNZAZCWCE-SJLPKXTDSA-N 2 0 380.533 0.450 20 0 GCADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000582240516 1186472157 /nfs/dbraw/zinc/47/21/57/1186472157.db2.gz VKNVXUNZAZCWCE-AEFFLSMTSA-N 2 0 380.533 0.450 20 0 GCADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000582252536 1186478409 /nfs/dbraw/zinc/47/84/09/1186478409.db2.gz KFBVXPMNEPSPKQ-MSOLQXFVSA-N 2 0 385.512 0.995 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000582263770 1186479368 /nfs/dbraw/zinc/47/93/68/1186479368.db2.gz IPPJFSZVZNZQNV-RYQLBKOJSA-N 2 0 380.533 0.281 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000125165334 1186548835 /nfs/dbraw/zinc/54/88/35/1186548835.db2.gz OEXPAQFHBCCNOJ-KRWDZBQOSA-N 2 0 390.463 0.941 20 0 GCADRP CC(C)(O)C[NH+]1CCN(c2ccnc(N3CC[NH+](CC(C)(C)O)CC3)n2)CC1 ZINC000892271574 1186584761 /nfs/dbraw/zinc/58/47/61/1186584761.db2.gz ULXXWMCIPUDXPO-UHFFFAOYSA-N 2 0 392.548 0.262 20 0 GCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000125412864 1186587597 /nfs/dbraw/zinc/58/75/97/1186587597.db2.gz UHLFFOSXRIOLCV-HOTGVXAUSA-N 2 0 378.521 0.867 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000125414675 1186587693 /nfs/dbraw/zinc/58/76/93/1186587693.db2.gz XAQPRMLRGRCGIE-UHFFFAOYSA-N 2 0 398.511 0.948 20 0 GCADRP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582670423 1186605299 /nfs/dbraw/zinc/60/52/99/1186605299.db2.gz YBQGOQGOQIANEH-FXAWDEMLSA-N 2 0 389.519 0.842 20 0 GCADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000892283115 1186615439 /nfs/dbraw/zinc/61/54/39/1186615439.db2.gz GDKPHEXFWFMZSU-HNNXBMFYSA-N 2 0 385.472 0.516 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000237433098 1186631172 /nfs/dbraw/zinc/63/11/72/1186631172.db2.gz RFXGTCAGQYPJBV-IAGOWNOFSA-N 2 0 389.548 0.833 20 0 GCADRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3(O)CC[NH+](C)CC3)cn2)CC1 ZINC000077759323 1186653809 /nfs/dbraw/zinc/65/38/09/1186653809.db2.gz KIKGUJLVYOKMLJ-UHFFFAOYSA-N 2 0 376.505 0.089 20 0 GCADRP CCn1ncc(C)c1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000657612231 1186663509 /nfs/dbraw/zinc/66/35/09/1186663509.db2.gz JGCKJUPTHKQULO-UHFFFAOYSA-N 2 0 399.499 0.873 20 0 GCADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466912157 1186736925 /nfs/dbraw/zinc/73/69/25/1186736925.db2.gz FERKLNDCURFJNL-IAGOWNOFSA-N 2 0 380.533 0.676 20 0 GCADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000582975953 1186740495 /nfs/dbraw/zinc/74/04/95/1186740495.db2.gz MLLNWPHTPQZDIK-HOTGVXAUSA-N 2 0 382.892 0.635 20 0 GCADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000583015245 1186748103 /nfs/dbraw/zinc/74/81/03/1186748103.db2.gz WLIUGDKDAFHNAN-SJORKVTESA-N 2 0 378.517 0.062 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000583041576 1186755290 /nfs/dbraw/zinc/75/52/90/1186755290.db2.gz IWVIZRNQFNASQU-HKUYNNGSSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000583107571 1186771432 /nfs/dbraw/zinc/77/14/32/1186771432.db2.gz YTCOADXWYDSBGB-LJQANCHMSA-N 2 0 390.576 0.934 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000153871278 1186772129 /nfs/dbraw/zinc/77/21/29/1186772129.db2.gz XTWZYNJBYQYUFO-MRXNPFEDSA-N 2 0 376.505 0.718 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000583134012 1186779703 /nfs/dbraw/zinc/77/97/03/1186779703.db2.gz KBFPUCIQWALHTM-LMMKCTJWSA-N 2 0 387.528 0.300 20 0 GCADRP C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)C[NH+]1CCN(C)CC1 ZINC000561285706 1186790490 /nfs/dbraw/zinc/79/04/90/1186790490.db2.gz ZLYWJWLFQWENPR-MSOLQXFVSA-N 2 0 381.565 0.319 20 0 GCADRP CCc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000124588391 1186798151 /nfs/dbraw/zinc/79/81/51/1186798151.db2.gz JEZNGWKHOBFMII-MRXNPFEDSA-N 2 0 376.505 0.852 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000124622871 1186799588 /nfs/dbraw/zinc/79/95/88/1186799588.db2.gz WRSLOBAYEFKYJS-OAHLLOKOSA-N 2 0 377.489 0.198 20 0 GCADRP CCc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n(C)n1 ZINC000124658356 1186800196 /nfs/dbraw/zinc/80/01/96/1186800196.db2.gz ADMWFJOZXGECRJ-MRXNPFEDSA-N 2 0 378.521 0.796 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000583252546 1186809157 /nfs/dbraw/zinc/80/91/57/1186809157.db2.gz PPLFZJLUKNQMBN-IAGOWNOFSA-N 2 0 379.509 0.440 20 0 GCADRP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000155190562 1186809958 /nfs/dbraw/zinc/80/99/58/1186809958.db2.gz WCDWKKXKBHNZEY-IRXDYDNUSA-N 2 0 380.533 0.546 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000583285811 1186817940 /nfs/dbraw/zinc/81/79/40/1186817940.db2.gz QBVYSNMPCNCYHH-OTWHNJEPSA-N 2 0 392.544 0.567 20 0 GCADRP CN1CC[NH+](CC2(C)CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000583331944 1186828415 /nfs/dbraw/zinc/82/84/15/1186828415.db2.gz RZYHKQOGGPSBQV-UHFFFAOYSA-N 2 0 376.549 0.934 20 0 GCADRP C[C@H](C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)n1cccn1 ZINC000329162349 1186869144 /nfs/dbraw/zinc/86/91/44/1186869144.db2.gz ZPGOABPLIIJHNO-MRXNPFEDSA-N 2 0 376.505 0.141 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCO1 ZINC000278315918 1186885079 /nfs/dbraw/zinc/88/50/79/1186885079.db2.gz IJPKXMXUCCBXCS-OAHLLOKOSA-N 2 0 386.456 0.823 20 0 GCADRP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158422 1186891112 /nfs/dbraw/zinc/89/11/12/1186891112.db2.gz UQKNNICZTZXOTC-QFBILLFUSA-N 2 0 398.573 0.634 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)CC1=O ZINC000888990831 1186894312 /nfs/dbraw/zinc/89/43/12/1186894312.db2.gz FXXIRGZUCMPJRO-ROUUACIJSA-N 2 0 379.549 0.025 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000583720975 1186926995 /nfs/dbraw/zinc/92/69/95/1186926995.db2.gz HKGSYYNOQUUZJU-LJQANCHMSA-N 2 0 391.560 0.215 20 0 GCADRP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458662823 1186930371 /nfs/dbraw/zinc/93/03/71/1186930371.db2.gz UTRRYTWTJICZHQ-PMACEKPBSA-N 2 0 390.528 0.899 20 0 GCADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000583764195 1186934671 /nfs/dbraw/zinc/93/46/71/1186934671.db2.gz AFHXHMKXHVOMFC-SLFFLAALSA-N 2 0 384.524 0.924 20 0 GCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583812282 1186943407 /nfs/dbraw/zinc/94/34/07/1186943407.db2.gz ARSGMEONPAJBKJ-XYJFISCASA-N 2 0 375.517 0.333 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000583827855 1186946574 /nfs/dbraw/zinc/94/65/74/1186946574.db2.gz HYJPCTLROJPFJM-UHFFFAOYSA-N 2 0 382.549 0.794 20 0 GCADRP O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000168400606 1186967705 /nfs/dbraw/zinc/96/77/05/1186967705.db2.gz OWDHKKANKMOAMM-LJQANCHMSA-N 2 0 388.512 0.897 20 0 GCADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000583986646 1186973845 /nfs/dbraw/zinc/97/38/45/1186973845.db2.gz CSSGVARTISZZCC-QGZVFWFLSA-N 2 0 380.533 0.690 20 0 GCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000584011129 1186980612 /nfs/dbraw/zinc/98/06/12/1186980612.db2.gz ZYXHPJMVRVEIMK-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000127201555 1186984963 /nfs/dbraw/zinc/98/49/63/1186984963.db2.gz UYYRYTROHLPCRF-QGZVFWFLSA-N 2 0 376.505 0.860 20 0 GCADRP C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000458778751 1186986004 /nfs/dbraw/zinc/98/60/04/1186986004.db2.gz PJXMKVJQPRKYJR-IYBDPMFKSA-N 2 0 379.505 0.619 20 0 GCADRP C[C@@H](O)C[NH+]1CCN(c2cnc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)cn2)[C@@H](C)C1 ZINC000685273059 1187008551 /nfs/dbraw/zinc/00/85/51/1187008551.db2.gz FKUHFMQIWONCJQ-FZDBZEDMSA-N 2 0 392.548 0.259 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276385 1187017595 /nfs/dbraw/zinc/01/75/95/1187017595.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 2 0 391.560 0.355 20 0 GCADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000584277682 1187024505 /nfs/dbraw/zinc/02/45/05/1187024505.db2.gz BSIIMFFJFSSJHP-CADBVGFASA-N 2 0 391.560 0.166 20 0 GCADRP CC[NH+](CC)CCN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000584351849 1187037100 /nfs/dbraw/zinc/03/71/00/1187037100.db2.gz OPZDHBBAHVZCHL-GJZGRUSLSA-N 2 0 397.545 0.458 20 0 GCADRP CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000584416220 1187055936 /nfs/dbraw/zinc/05/59/36/1187055936.db2.gz RZCSZWNXYLJNLJ-UHFFFAOYSA-N 2 0 375.473 0.713 20 0 GCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000685310521 1187069697 /nfs/dbraw/zinc/06/96/97/1187069697.db2.gz YXWVDLCPVLEBOB-MAUKXSAKSA-N 2 0 380.533 0.545 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1nc2ccccn2c1=O ZINC000600982781 1187074448 /nfs/dbraw/zinc/07/44/48/1187074448.db2.gz GFDGSLURMVTJIV-KRWDZBQOSA-N 2 0 388.516 0.761 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)CC[N@@H+]1C ZINC001023977747 1187208139 /nfs/dbraw/zinc/20/81/39/1187208139.db2.gz MQNXDTPGVITLHX-YLFCFFPRSA-N 2 0 378.517 0.033 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023978797 1187208954 /nfs/dbraw/zinc/20/89/54/1187208954.db2.gz IWACSRYILYUZSC-YLFCFFPRSA-N 2 0 380.533 0.279 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2O)CC[N@@H+]1C ZINC001023979333 1187211366 /nfs/dbraw/zinc/21/13/66/1187211366.db2.gz VADMWBCGRNMUNQ-YLFCFFPRSA-N 2 0 392.500 0.373 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658084563 1187242665 /nfs/dbraw/zinc/24/26/65/1187242665.db2.gz DHSXUYSEHYTGNK-GOSISDBHSA-N 2 0 381.565 0.271 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000612046031 1187245441 /nfs/dbraw/zinc/24/54/41/1187245441.db2.gz XWSGDMCAKPYCHY-KURKYZTESA-N 2 0 378.517 0.489 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000658180357 1187253091 /nfs/dbraw/zinc/25/30/91/1187253091.db2.gz XBZLFRUNDFKGTP-ROUUACIJSA-N 2 0 379.549 0.168 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000658180358 1187253370 /nfs/dbraw/zinc/25/33/70/1187253370.db2.gz XBZLFRUNDFKGTP-ZWKOTPCHSA-N 2 0 379.549 0.168 20 0 GCADRP CN(c1ccccc1)[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000658534420 1187328098 /nfs/dbraw/zinc/32/80/98/1187328098.db2.gz BNXXBNAQIQYLDM-IBGZPJMESA-N 2 0 389.544 0.676 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)C2)CC1 ZINC000586850980 1187392395 /nfs/dbraw/zinc/39/23/95/1187392395.db2.gz FTCPGOKTQZIRNQ-FUHWJXTLSA-N 2 0 379.549 0.071 20 0 GCADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000658649836 1187398745 /nfs/dbraw/zinc/39/87/45/1187398745.db2.gz RSGBJSGKQNPRGO-OAHLLOKOSA-N 2 0 376.505 0.906 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612221986 1187410750 /nfs/dbraw/zinc/41/07/50/1187410750.db2.gz XVRUUOXOOXOLBJ-LJQANCHMSA-N 2 0 387.528 0.962 20 0 GCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)[C@H]2C1 ZINC000612223819 1187412016 /nfs/dbraw/zinc/41/20/16/1187412016.db2.gz LORFNMLXTNSOLB-PMACEKPBSA-N 2 0 399.539 0.962 20 0 GCADRP CC[C@@H]1CN(CCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000413631420 1187446585 /nfs/dbraw/zinc/44/65/85/1187446585.db2.gz XJDAWFXAWCYGSL-GOSISDBHSA-N 2 0 397.564 0.193 20 0 GCADRP CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000685759465 1187447714 /nfs/dbraw/zinc/44/77/14/1187447714.db2.gz PPIXSQXIGUKWLS-UHFFFAOYSA-N 2 0 398.529 0.119 20 0 GCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000658776622 1187456070 /nfs/dbraw/zinc/45/60/70/1187456070.db2.gz BYCKNRFZCSHDCP-LJQANCHMSA-N 2 0 387.528 0.973 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445250 1187492528 /nfs/dbraw/zinc/49/25/28/1187492528.db2.gz WVDIMHVDEVVTHM-KRWDZBQOSA-N 3 0 381.565 0.461 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000612483894 1187505499 /nfs/dbraw/zinc/50/54/99/1187505499.db2.gz ANEISZMPUQADIC-SFHVURJKSA-N 2 0 394.560 0.794 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612484490 1187505667 /nfs/dbraw/zinc/50/56/67/1187505667.db2.gz AZUDJXDVESHMPN-OKZBNKHCSA-N 2 0 382.549 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CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612591199 1187537410 /nfs/dbraw/zinc/53/74/10/1187537410.db2.gz HUUNJKZLXDHQGO-QGZVFWFLSA-N 2 0 380.533 0.689 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000612598319 1187538449 /nfs/dbraw/zinc/53/84/49/1187538449.db2.gz BUQHVVWXLNMAOQ-QZTJIDSGSA-N 2 0 378.517 0.443 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000612599140 1187538785 /nfs/dbraw/zinc/53/87/85/1187538785.db2.gz PUJVEIRPQHJZQH-ROUUACIJSA-N 2 0 378.517 0.443 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000612602437 1187540335 /nfs/dbraw/zinc/54/03/35/1187540335.db2.gz XVSDQXMAQNHSPZ-AEFFLSMTSA-N 2 0 380.533 0.594 20 0 GCADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612776055 1187579088 /nfs/dbraw/zinc/57/90/88/1187579088.db2.gz FXRCJFMRUIYFCC-UHFFFAOYSA-N 2 0 394.560 0.530 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612778017 1187584814 /nfs/dbraw/zinc/58/48/14/1187584814.db2.gz UYWYELOUWOVDMW-UHFFFAOYSA-N 2 0 393.576 0.321 20 0 GCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876648 1187609999 /nfs/dbraw/zinc/60/99/99/1187609999.db2.gz MNEPPKKHGWZNLO-JKSUJKDBSA-N 2 0 375.521 0.803 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880793 1187611012 /nfs/dbraw/zinc/61/10/12/1187611012.db2.gz JYQBCUQAULKCFT-JKSUJKDBSA-N 2 0 387.532 0.945 20 0 GCADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000413954620 1187611201 /nfs/dbraw/zinc/61/12/01/1187611201.db2.gz KTYPUMXWVAVWIK-HNNXBMFYSA-N 2 0 392.500 0.984 20 0 GCADRP O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612913781 1187617705 /nfs/dbraw/zinc/61/77/05/1187617705.db2.gz DSPJFULYNXMBGR-HZPDHXFCSA-N 2 0 375.521 0.708 20 0 GCADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612913780 1187618172 /nfs/dbraw/zinc/61/81/72/1187618172.db2.gz DSPJFULYNXMBGR-HOTGVXAUSA-N 2 0 375.521 0.708 20 0 GCADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612924119 1187619647 /nfs/dbraw/zinc/61/96/47/1187619647.db2.gz NOQSQWYYTJSUFR-CVEARBPZSA-N 2 0 391.520 0.087 20 0 GCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612920874 1187620043 /nfs/dbraw/zinc/62/00/43/1187620043.db2.gz MPHVCZDKTNFEFW-INMHGKMJSA-N 2 0 375.521 0.706 20 0 GCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612920875 1187620309 /nfs/dbraw/zinc/62/03/09/1187620309.db2.gz MPHVCZDKTNFEFW-VYDXJSESSA-N 2 0 375.521 0.706 20 0 GCADRP [NH3+]C1(CNC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCCC1 ZINC000612929042 1187620470 /nfs/dbraw/zinc/62/04/70/1187620470.db2.gz CQYFKRSWGUODMF-HNNXBMFYSA-N 2 0 375.521 0.980 20 0 GCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612923738 1187620844 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/nfs/dbraw/zinc/78/43/32/1187784332.db2.gz WPAZZQXWGUWIPI-KSZLIROESA-N 2 0 378.517 0.443 20 0 GCADRP O=C1C[C@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C(=O)N1CCOCCO ZINC000685897131 1187798814 /nfs/dbraw/zinc/79/88/14/1187798814.db2.gz JCOHMOMVWMOWKK-SFHVURJKSA-N 2 0 381.517 0.711 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[NH+]4CCC[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658993226 1187834097 /nfs/dbraw/zinc/83/40/97/1187834097.db2.gz IXRAWMYAAIFPMH-ZIFCJYIRSA-N 2 0 392.544 0.641 20 0 GCADRP O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659096931 1187877698 /nfs/dbraw/zinc/87/76/98/1187877698.db2.gz FPTGZDRLKPCAMX-DLBZAZTESA-N 2 0 382.468 0.747 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 ZINC000659112146 1187891005 /nfs/dbraw/zinc/89/10/05/1187891005.db2.gz HYNSVMNFHKABPR-AWEZNQCLSA-N 2 0 375.473 0.013 20 0 GCADRP CCCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647568663 1187895125 /nfs/dbraw/zinc/89/51/25/1187895125.db2.gz QVWPMBVUWXFLIK-QZTJIDSGSA-N 2 0 380.533 0.500 20 0 GCADRP O=C(C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659124736 1187899109 /nfs/dbraw/zinc/89/91/09/1187899109.db2.gz PMISGYSGGUKOBM-IBGZPJMESA-N 2 0 392.544 0.644 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000659318667 1187943522 /nfs/dbraw/zinc/94/35/22/1187943522.db2.gz WMBJUTWZTCPJNO-INIZCTEOSA-N 2 0 397.564 0.078 20 0 GCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000659345081 1187945397 /nfs/dbraw/zinc/94/53/97/1187945397.db2.gz YNZPOWLQCRQITN-MOPGFXCFSA-N 2 0 393.576 0.556 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000659345057 1187945452 /nfs/dbraw/zinc/94/54/52/1187945452.db2.gz VRMHIKUHLRQYKK-PKOBYXMFSA-N 2 0 393.576 0.602 20 0 GCADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344805 1187946623 /nfs/dbraw/zinc/94/66/23/1187946623.db2.gz KWRFYSGPJMOSHS-SFHVURJKSA-N 2 0 379.549 0.168 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000659376368 1187950812 /nfs/dbraw/zinc/95/08/12/1187950812.db2.gz BDVOKWXKEKHEKY-LJQANCHMSA-N 2 0 390.528 0.756 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000659376367 1187950896 /nfs/dbraw/zinc/95/08/96/1187950896.db2.gz BDVOKWXKEKHEKY-IBGZPJMESA-N 2 0 390.528 0.756 20 0 GCADRP C[NH+]1CCN(C[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc2)CC1 ZINC000659449538 1187960080 /nfs/dbraw/zinc/96/00/80/1187960080.db2.gz IMBFDLZHXCBURH-KRWDZBQOSA-N 2 0 399.499 0.429 20 0 GCADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000659513459 1187967453 /nfs/dbraw/zinc/96/74/53/1187967453.db2.gz YDFVFQDSZZUXQU-KBAYOESNSA-N 2 0 378.517 0.251 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659541152 1187968791 /nfs/dbraw/zinc/96/87/91/1187968791.db2.gz ZTMLIVDUJSIESJ-HUUCEWRRSA-N 2 0 393.454 0.375 20 0 GCADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659580505 1187973542 /nfs/dbraw/zinc/97/35/42/1187973542.db2.gz CSOYEVYVSMXDHR-QYZOEREBSA-N 2 0 375.492 0.960 20 0 GCADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589881 1187974128 /nfs/dbraw/zinc/97/41/28/1187974128.db2.gz ZGLASHWORTYTKM-QZTJIDSGSA-N 2 0 393.507 0.933 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659608148 1187975949 /nfs/dbraw/zinc/97/59/49/1187975949.db2.gz LFEKZOJJGPCNGY-SJLPKXTDSA-N 2 0 393.532 0.093 20 0 GCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659641463 1187979856 /nfs/dbraw/zinc/97/98/56/1187979856.db2.gz PTBJYLHGZJYRPL-LJQANCHMSA-N 2 0 391.560 0.962 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000659676523 1187994599 /nfs/dbraw/zinc/99/45/99/1187994599.db2.gz HCWFHYKTAOWRJF-MNEFBYGVSA-N 2 0 388.512 0.455 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCO1 ZINC000659676839 1187995163 /nfs/dbraw/zinc/99/51/63/1187995163.db2.gz JQSGNDNLWYHXSG-HKUYNNGSSA-N 2 0 394.560 0.842 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000659688614 1187997369 /nfs/dbraw/zinc/99/73/69/1187997369.db2.gz CRDMPZFQUPTUJO-OAHLLOKOSA-N 2 0 390.488 0.170 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000659689561 1187998096 /nfs/dbraw/zinc/99/80/96/1187998096.db2.gz DDNXLNRROJRYEX-WBVHZDCISA-N 2 0 376.501 0.829 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000659689553 1187998115 /nfs/dbraw/zinc/99/81/15/1187998115.db2.gz CRDXCKOZGQZZBW-HRCADAONSA-N 2 0 376.501 0.636 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000659689552 1187998337 /nfs/dbraw/zinc/99/83/37/1187998337.db2.gz CRDXCKOZGQZZBW-ARFHVFGLSA-N 2 0 376.501 0.636 20 0 GCADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000659698630 1187999405 /nfs/dbraw/zinc/99/94/05/1187999405.db2.gz FTJMVCZFLABKDU-QGZVFWFLSA-N 2 0 375.517 0.347 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000659698404 1187999487 /nfs/dbraw/zinc/99/94/87/1187999487.db2.gz NAPKCJRQDUCQAC-WMZOPIPTSA-N 2 0 375.517 0.206 20 0 GCADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000659697478 1188001830 /nfs/dbraw/zinc/00/18/30/1188001830.db2.gz HYIRICDEAUDUIT-GOSISDBHSA-N 2 0 389.544 0.677 20 0 GCADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000659699533 1188003101 /nfs/dbraw/zinc/00/31/01/1188003101.db2.gz WKYHEPVTGDIALD-MRXNPFEDSA-N 2 0 398.467 0.210 20 0 GCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2O)CC1 ZINC001025436240 1188008325 /nfs/dbraw/zinc/00/83/25/1188008325.db2.gz FWDCPSVUVDMDNR-VDHUWJSZSA-N 2 0 380.533 0.135 20 0 GCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)C[C@@H]21 ZINC000659726931 1188013864 /nfs/dbraw/zinc/01/38/64/1188013864.db2.gz DDIUGAKOWSBUJV-HSALFYBXSA-N 2 0 399.539 0.996 20 0 GCADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659730788 1188016514 /nfs/dbraw/zinc/01/65/14/1188016514.db2.gz VFPZSRLUYABDRF-NRFANRHFSA-N 2 0 385.512 0.622 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000659739412 1188017844 /nfs/dbraw/zinc/01/78/44/1188017844.db2.gz TYFMGLHTTUQSDP-BHIYHBOVSA-N 2 0 392.544 0.737 20 0 GCADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659739521 1188018081 /nfs/dbraw/zinc/01/80/81/1188018081.db2.gz WQEMTJQWHLPCOV-MJGOQNOKSA-N 2 0 392.544 0.594 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000659739414 1188018115 /nfs/dbraw/zinc/01/81/15/1188018115.db2.gz TYFMGLHTTUQSDP-QXAKKESOSA-N 2 0 392.544 0.737 20 0 GCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000659740189 1188018922 /nfs/dbraw/zinc/01/89/22/1188018922.db2.gz FXGOULAVXQCUDY-QXAKKESOSA-N 2 0 394.560 0.968 20 0 GCADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000659756343 1188021079 /nfs/dbraw/zinc/02/10/79/1188021079.db2.gz QVCDRZNVLLODJM-RYQLBKOJSA-N 2 0 381.565 0.506 20 0 GCADRP COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000376695745 1188021639 /nfs/dbraw/zinc/02/16/39/1188021639.db2.gz UQCKXKPMYWMJLT-KRWDZBQOSA-N 2 0 381.521 0.045 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000415306362 1188027254 /nfs/dbraw/zinc/02/72/54/1188027254.db2.gz WLHYTZIXQKJNLF-INIZCTEOSA-N 2 0 375.473 0.726 20 0 GCADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000415304537 1188027788 /nfs/dbraw/zinc/02/77/88/1188027788.db2.gz UFJATSDZRZZFEG-SFHVURJKSA-N 2 0 385.512 0.977 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000415307276 1188028113 /nfs/dbraw/zinc/02/81/13/1188028113.db2.gz VQBTUVXRYZYEFC-UHFFFAOYSA-N 2 0 387.528 0.960 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCC[NH2+]C ZINC000415310482 1188029785 /nfs/dbraw/zinc/02/97/85/1188029785.db2.gz WQGLHYXMRGCWRI-UHFFFAOYSA-N 2 0 377.489 0.501 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000377477551 1188030586 /nfs/dbraw/zinc/03/05/86/1188030586.db2.gz UJXLXLDDQIWWKP-UHFFFAOYSA-N 2 0 395.548 0.973 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000415316007 1188031614 /nfs/dbraw/zinc/03/16/14/1188031614.db2.gz ITYUQZKIXJMZCI-QGZVFWFLSA-N 2 0 389.500 0.517 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580309380 1188056900 /nfs/dbraw/zinc/05/69/00/1188056900.db2.gz UMXGPZRUBKWWRW-KURKYZTESA-N 2 0 379.549 0.262 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000415351342 1188059161 /nfs/dbraw/zinc/05/91/61/1188059161.db2.gz NSWVRCZEIPDODD-OAHLLOKOSA-N 2 0 389.500 0.517 20 0 GCADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415373942 1188066105 /nfs/dbraw/zinc/06/61/05/1188066105.db2.gz IBTLVUBFXAHEBU-INIZCTEOSA-N 2 0 375.473 0.774 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415441817 1188081738 /nfs/dbraw/zinc/08/17/38/1188081738.db2.gz PKBRWIBHNSAHRX-INIZCTEOSA-N 2 0 391.516 0.875 20 0 GCADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c1 ZINC000415465850 1188086689 /nfs/dbraw/zinc/08/66/89/1188086689.db2.gz GIBQWQNXVURLCV-UHFFFAOYSA-N 2 0 377.489 0.550 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000415492857 1188090659 /nfs/dbraw/zinc/09/06/59/1188090659.db2.gz LNBKBSPIGRVZBV-OAHLLOKOSA-N 2 0 375.473 0.704 20 0 GCADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415513088 1188097766 /nfs/dbraw/zinc/09/77/66/1188097766.db2.gz WNEKLDIFRTWXOQ-AWEZNQCLSA-N 2 0 377.489 0.487 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893011706 1188099905 /nfs/dbraw/zinc/09/99/05/1188099905.db2.gz MDNYKOLEISAPDG-IPMKNSEASA-N 2 0 380.533 0.870 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021057 1188102731 /nfs/dbraw/zinc/10/27/31/1188102731.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 2 0 379.549 0.396 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000415574213 1188109383 /nfs/dbraw/zinc/10/93/83/1188109383.db2.gz CZZYAOZJBXNHNL-DFQSSKMNSA-N 2 0 399.539 0.958 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000415582877 1188113037 /nfs/dbraw/zinc/11/30/37/1188113037.db2.gz VDDICZBAZBYIHJ-FUHWJXTLSA-N 2 0 387.528 0.958 20 0 GCADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000415592736 1188115315 /nfs/dbraw/zinc/11/53/15/1188115315.db2.gz CLCWXLVOYIUIPG-SFHVURJKSA-N 2 0 389.500 0.342 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000415599296 1188118987 /nfs/dbraw/zinc/11/89/87/1188118987.db2.gz QIJFTHZZYDPLON-UHFFFAOYSA-N 2 0 385.512 0.799 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCO1 ZINC000415602640 1188120271 /nfs/dbraw/zinc/12/02/71/1188120271.db2.gz SCVRQGAGGGEWOO-SFHVURJKSA-N 2 0 390.484 0.676 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)c2)CC1 ZINC000415676416 1188139989 /nfs/dbraw/zinc/13/99/89/1188139989.db2.gz KRTYOHOUDPBIJW-QGZVFWFLSA-N 2 0 387.528 0.960 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)c2)CC1 ZINC000415676412 1188140057 /nfs/dbraw/zinc/14/00/57/1188140057.db2.gz KRTYOHOUDPBIJW-KRWDZBQOSA-N 2 0 387.528 0.960 20 0 GCADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000415700650 1188143360 /nfs/dbraw/zinc/14/33/60/1188143360.db2.gz AFBXJAQPSZBEEP-IBGZPJMESA-N 2 0 387.528 0.973 20 0 GCADRP COC[C@]1(CNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000415703991 1188144058 /nfs/dbraw/zinc/14/40/58/1188144058.db2.gz GPIVSGDGVRLUAF-LJQANCHMSA-N 2 0 378.473 0.450 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000415725175 1188149736 /nfs/dbraw/zinc/14/97/36/1188149736.db2.gz MIMPIYPFESFWFH-QGZVFWFLSA-N 2 0 389.500 0.072 20 0 GCADRP CCCN1Cc2cccc(NC(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2C1 ZINC000415720766 1188151191 /nfs/dbraw/zinc/15/11/91/1188151191.db2.gz FNNYVFRIQILSDR-QGZVFWFLSA-N 2 0 385.512 0.857 20 0 GCADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000415751265 1188155715 /nfs/dbraw/zinc/15/57/15/1188155715.db2.gz VVTJYVONTNWTLQ-ZIAGYGMSSA-N 2 0 378.448 0.773 20 0 GCADRP CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N(C)C2C[NH2+]C2)ccc1OC ZINC000415745256 1188156186 /nfs/dbraw/zinc/15/61/86/1188156186.db2.gz QQVQRHJGOTWYIZ-UHFFFAOYSA-N 2 0 378.473 0.785 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415754438 1188158759 /nfs/dbraw/zinc/15/87/59/1188158759.db2.gz ZMLDPMDQOKVLRC-QZTJIDSGSA-N 2 0 385.512 0.440 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415754441 1188158829 /nfs/dbraw/zinc/15/88/29/1188158829.db2.gz ZMLDPMDQOKVLRC-ROUUACIJSA-N 2 0 385.512 0.440 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000415778187 1188162912 /nfs/dbraw/zinc/16/29/12/1188162912.db2.gz JGAAUPVHAFMHBO-PKOBYXMFSA-N 2 0 385.512 0.583 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415862903 1189385711 /nfs/dbraw/zinc/38/57/11/1189385711.db2.gz KZRPTQGOISMJBB-HNNXBMFYSA-N 2 0 378.473 0.450 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415858538 1189387673 /nfs/dbraw/zinc/38/76/73/1189387673.db2.gz KCXSLFNAYXIEOK-INIZCTEOSA-N 2 0 392.500 0.922 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)CC1 ZINC000415873417 1189391533 /nfs/dbraw/zinc/39/15/33/1189391533.db2.gz UULPVWACVOMJOZ-IRXDYDNUSA-N 2 0 385.512 0.835 20 0 GCADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)CC1 ZINC000415873000 1189393820 /nfs/dbraw/zinc/39/38/20/1189393820.db2.gz UCXDJAOJPIKUQV-ZWKOTPCHSA-N 2 0 385.512 0.440 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1nnnn1CC1CC1 ZINC000472954629 1189463676 /nfs/dbraw/zinc/46/36/76/1189463676.db2.gz TVDWNJDMJYXRAT-UHFFFAOYSA-N 2 0 399.503 0.490 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(C)(C)OC(C)(C)C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000416310858 1189487476 /nfs/dbraw/zinc/48/74/76/1189487476.db2.gz HHKKWXWXAXZXKM-UHFFFAOYSA-N 2 0 382.549 0.981 20 0 GCADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000893230123 1189501714 /nfs/dbraw/zinc/50/17/14/1189501714.db2.gz AEKAPLYCAOUDAA-SZMVWBNQSA-N 2 0 381.542 0.688 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000893238610 1189508695 /nfs/dbraw/zinc/50/86/95/1189508695.db2.gz OADWDJSHXCYOQL-QYZOEREBSA-N 2 0 381.565 0.501 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000378510889 1189523707 /nfs/dbraw/zinc/52/37/07/1189523707.db2.gz JEJBYCIGPVCVOG-QZTJIDSGSA-N 2 0 398.548 0.966 20 0 GCADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000378528068 1189527772 /nfs/dbraw/zinc/52/77/72/1189527772.db2.gz HACIQNHBTSOGND-IAGOWNOFSA-N 2 0 397.545 0.632 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000378526455 1189528013 /nfs/dbraw/zinc/52/80/13/1189528013.db2.gz NTQJNIGINCEYLT-IPMKNSEASA-N 2 0 379.549 0.519 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000511571528 1189559230 /nfs/dbraw/zinc/55/92/30/1189559230.db2.gz HCQAYJJWTXTCDH-PKOBYXMFSA-N 2 0 390.528 0.660 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000511577745 1189575002 /nfs/dbraw/zinc/57/50/02/1189575002.db2.gz SBTRNYDONYDNLX-WMZOPIPTSA-N 2 0 376.501 0.318 20 0 GCADRP COc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)cc1OC ZINC000416813152 1189585871 /nfs/dbraw/zinc/58/58/71/1189585871.db2.gz MHWQXODZHAHYEA-HZPDHXFCSA-N 2 0 380.489 0.984 20 0 GCADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000416834904 1189587495 /nfs/dbraw/zinc/58/74/95/1189587495.db2.gz XWFPDSBHCHXKRP-CVEARBPZSA-N 2 0 377.489 0.913 20 0 GCADRP CO[C@@H]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000416833029 1189587933 /nfs/dbraw/zinc/58/79/33/1189587933.db2.gz CCUYHSHUPGRAIL-WOJBJXKFSA-N 2 0 389.544 0.952 20 0 GCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000584585973 1189598350 /nfs/dbraw/zinc/59/83/50/1189598350.db2.gz FXBCKLVNTXMHFA-RDJZCZTQSA-N 2 0 375.473 0.090 20 0 GCADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC000416949719 1189600013 /nfs/dbraw/zinc/60/00/13/1189600013.db2.gz QQMZPXQFLNZXKF-KSZLIROESA-N 2 0 395.548 0.339 20 0 GCADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000416947566 1189600175 /nfs/dbraw/zinc/60/01/75/1189600175.db2.gz GXPWOHTVJNRQGS-RTBURBONSA-N 2 0 381.565 0.813 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000416981653 1189605272 /nfs/dbraw/zinc/60/52/72/1189605272.db2.gz CVLIDXHMDLGZQQ-LJQANCHMSA-N 2 0 375.517 0.612 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000416999618 1189606567 /nfs/dbraw/zinc/60/65/67/1189606567.db2.gz XSSISLLOUMKTCW-UHFFFAOYSA-N 2 0 388.560 0.529 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417016176 1189607962 /nfs/dbraw/zinc/60/79/62/1189607962.db2.gz HYYKJPFFACNUJF-IBGZPJMESA-N 2 0 375.517 0.482 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014813 1189608061 /nfs/dbraw/zinc/60/80/61/1189608061.db2.gz FYHUKMSCIUXZKW-MOPGFXCFSA-N 2 0 375.517 0.653 20 0 GCADRP C[C@H](O)C[C@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274437222 1189608111 /nfs/dbraw/zinc/60/81/11/1189608111.db2.gz WRZJFQCNRPDOHH-HKUYNNGSSA-N 2 0 391.516 0.775 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000364036719 1189625431 /nfs/dbraw/zinc/62/54/31/1189625431.db2.gz LZWHRSZNNSPYCE-UZLBHIALSA-N 2 0 393.532 0.581 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000417148585 1189625468 /nfs/dbraw/zinc/62/54/68/1189625468.db2.gz HCUFRLPQTGMWLQ-IBGZPJMESA-N 2 0 375.517 0.958 20 0 GCADRP CN1CC[NH2+]C[C@H]1CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417159724 1189626405 /nfs/dbraw/zinc/62/64/05/1189626405.db2.gz XLKFDBAZXCZASP-FQEVSTJZSA-N 2 0 388.560 0.792 20 0 GCADRP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417307901 1189643865 /nfs/dbraw/zinc/64/38/65/1189643865.db2.gz CEOQJZONKFQDPM-VQIMIIECSA-N 2 0 387.528 0.930 20 0 GCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915911 1189650375 /nfs/dbraw/zinc/65/03/75/1189650375.db2.gz MCQKAKSOLQYHLZ-HRCADAONSA-N 2 0 375.521 0.849 20 0 GCADRP COC[C@@]1(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000417457672 1189667638 /nfs/dbraw/zinc/66/76/38/1189667638.db2.gz CTPNTCZCCKVIBD-FQEVSTJZSA-N 2 0 391.516 0.546 20 0 GCADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C[NH2+]1 ZINC000417516881 1189676302 /nfs/dbraw/zinc/67/63/02/1189676302.db2.gz PDOGMEVBSJCSIL-SJORKVTESA-N 2 0 375.521 0.771 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000364165362 1189687290 /nfs/dbraw/zinc/68/72/90/1189687290.db2.gz PYSKJTPJTUHALT-DLBZAZTESA-N 2 0 381.521 0.045 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000417757712 1189702430 /nfs/dbraw/zinc/70/24/30/1189702430.db2.gz ULCRBJVAYWVEPG-IAGOWNOFSA-N 2 0 383.537 0.245 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000660342762 1189721522 /nfs/dbraw/zinc/72/15/22/1189721522.db2.gz UGZOFGKWGRITAT-IEBWSBKVSA-N 2 0 392.544 0.785 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCO1 ZINC000418119213 1189725216 /nfs/dbraw/zinc/72/52/16/1189725216.db2.gz UOPDWRVDUAYLMC-ROUUACIJSA-N 2 0 395.548 0.341 20 0 GCADRP CN(CC[NH3+])C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000418250355 1189742237 /nfs/dbraw/zinc/74/22/37/1189742237.db2.gz LBFVOPHEVDUCQZ-UHFFFAOYSA-N 2 0 375.517 0.958 20 0 GCADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)C2)CC1 ZINC000364332749 1189751151 /nfs/dbraw/zinc/75/11/51/1189751151.db2.gz QKRRLHFFFVKMQF-RBUKOAKNSA-N 2 0 381.565 0.909 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000500432219 1189870203 /nfs/dbraw/zinc/87/02/03/1189870203.db2.gz NFERDARWMGZXOM-UHFFFAOYSA-N 2 0 379.549 0.073 20 0 GCADRP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652125541 1189902691 /nfs/dbraw/zinc/90/26/91/1189902691.db2.gz XUANIMWEWOGYKI-JENIJYKNSA-N 2 0 381.565 0.940 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)CC[N@@H+]1C ZINC000974926030 1189909987 /nfs/dbraw/zinc/90/99/87/1189909987.db2.gz MNOMEBBQLWQYMA-PSBWJHGTSA-N 2 0 392.544 0.497 20 0 GCADRP C[C@H]1CN(Cc2cccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)c2)CCO1 ZINC000636646123 1189921038 /nfs/dbraw/zinc/92/10/38/1189921038.db2.gz QWGPTYXXQWLQSB-LPHOPBHVSA-N 2 0 376.501 0.773 20 0 GCADRP Cc1cncn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]2C1 ZINC000975245513 1189932693 /nfs/dbraw/zinc/93/26/93/1189932693.db2.gz GTVHBEHPBBAVCE-YFHUEUNASA-N 2 0 382.468 0.788 20 0 GCADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711771 1189939555 /nfs/dbraw/zinc/93/95/55/1189939555.db2.gz GSBJRGUYBFWSQZ-PKOBYXMFSA-N 2 0 379.549 0.707 20 0 GCADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660861445 1189958523 /nfs/dbraw/zinc/95/85/23/1189958523.db2.gz DWMTWNHLYXWNMO-FQEVSTJZSA-N 2 0 393.576 0.814 20 0 GCADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900233 1189964001 /nfs/dbraw/zinc/96/40/01/1189964001.db2.gz KRLYUKOEVHYLNK-FXAWDEMLSA-N 2 0 378.517 0.111 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000660919723 1189965139 /nfs/dbraw/zinc/96/51/39/1189965139.db2.gz XAFRXWCXOFAXNX-KRWDZBQOSA-N 2 0 382.549 0.935 20 0 GCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000661232742 1190020210 /nfs/dbraw/zinc/02/02/10/1190020210.db2.gz OLPXUCSTMOUVDE-QYZOEREBSA-N 2 0 391.560 0.310 20 0 GCADRP CC(=O)N1CCc2ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000115580038 1190040927 /nfs/dbraw/zinc/04/09/27/1190040927.db2.gz RBSHCOAEUPKUGK-UHFFFAOYSA-N 2 0 382.530 0.710 20 0 GCADRP C[NH+](C)C1(CNC(=O)c2cc(C(=O)NCC3([NH+](C)C)CCC3)[nH]n2)CCC1 ZINC000613796548 1190064716 /nfs/dbraw/zinc/06/47/16/1190064716.db2.gz RDMKJHYILASXFI-UHFFFAOYSA-N 2 0 376.505 0.838 20 0 GCADRP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC2CC[NH+](CCO)CC2)CCC[N@@H+]1C ZINC000500876192 1193735100 /nfs/dbraw/zinc/73/51/00/1193735100.db2.gz MQYCZBFZSTTZNC-PKOBYXMFSA-N 2 0 392.548 0.807 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419229109 1193736436 /nfs/dbraw/zinc/73/64/36/1193736436.db2.gz NQLDKIULPKTGHK-JFIYKMOQSA-N 2 0 388.512 0.445 20 0 GCADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419233973 1193745220 /nfs/dbraw/zinc/74/52/20/1193745220.db2.gz XAHLQPOYMJKDOM-PKOBYXMFSA-N 2 0 387.528 0.035 20 0 GCADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419235189 1193746336 /nfs/dbraw/zinc/74/63/36/1193746336.db2.gz YOWQYKBWYSLJGI-RWQQGDIJSA-N 2 0 384.524 0.937 20 0 GCADRP Cc1cc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n2ncnc2n1 ZINC000433132049 1193762088 /nfs/dbraw/zinc/76/20/88/1193762088.db2.gz BEYWOEDLTOJHRT-UHFFFAOYSA-N 2 0 386.504 0.285 20 0 GCADRP C[C@]1(c2ccc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)NC(=O)NC1=O ZINC000433136895 1193762869 /nfs/dbraw/zinc/76/28/69/1193762869.db2.gz ZAZFYCVOSANQLM-HXUWFJFHSA-N 2 0 387.484 0.561 20 0 GCADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000419249450 1193763368 /nfs/dbraw/zinc/76/33/68/1193763368.db2.gz ZAFAAEDHICWQOE-QZTJIDSGSA-N 2 0 388.512 0.857 20 0 GCADRP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433141924 1193764535 /nfs/dbraw/zinc/76/45/35/1193764535.db2.gz BQWZWQSTMYQMOO-KRWDZBQOSA-N 2 0 379.549 0.345 20 0 GCADRP CN(C)c1nccc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC000433149640 1193765775 /nfs/dbraw/zinc/76/57/75/1193765775.db2.gz DPZYBCBIDLBOPP-UHFFFAOYSA-N 2 0 375.521 0.395 20 0 GCADRP CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957591 1193772427 /nfs/dbraw/zinc/77/24/27/1193772427.db2.gz GIJLDVDXCYOEHI-GOSISDBHSA-N 2 0 381.517 0.975 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1)C1CCCC1 ZINC000419273239 1193780059 /nfs/dbraw/zinc/78/00/59/1193780059.db2.gz WQVIWYPUCHSTRK-IBGZPJMESA-N 2 0 388.512 0.769 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419280824 1193785169 /nfs/dbraw/zinc/78/51/69/1193785169.db2.gz AOTQKXLSRIYMEU-GOEBONIOSA-N 2 0 391.491 0.623 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000512836710 1193786105 /nfs/dbraw/zinc/78/61/05/1193786105.db2.gz BGTMKJRPJIMPER-LJQANCHMSA-N 2 0 381.565 0.646 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419283843 1193786381 /nfs/dbraw/zinc/78/63/81/1193786381.db2.gz NQZKZLIIECIHEM-LSDHHAIUSA-N 2 0 391.491 0.575 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419288337 1193788041 /nfs/dbraw/zinc/78/80/41/1193788041.db2.gz SSMJLMBIZFWMDO-ZIAGYGMSSA-N 2 0 379.480 0.560 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419300206 1193794058 /nfs/dbraw/zinc/79/40/58/1193794058.db2.gz LGRBXFLDTFZNTG-GJZGRUSLSA-N 2 0 393.507 0.950 20 0 GCADRP C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000419301342 1193794787 /nfs/dbraw/zinc/79/47/87/1193794787.db2.gz NNIBPVFNRIXZLM-DYVFJYSZSA-N 2 0 391.491 0.608 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419305548 1193796548 /nfs/dbraw/zinc/79/65/48/1193796548.db2.gz XBWJEAVLMVKRRL-LSDHHAIUSA-N 2 0 393.507 0.856 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419306916 1193798316 /nfs/dbraw/zinc/79/83/16/1193798316.db2.gz ZDAWLPFRPSXDPZ-AWEZNQCLSA-N 2 0 379.480 0.480 20 0 GCADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419306926 1193798723 /nfs/dbraw/zinc/79/87/23/1193798723.db2.gz ZDKLILLYYRCFOB-AWEZNQCLSA-N 2 0 379.480 0.562 20 0 GCADRP CCCNC(=O)CN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433286781 1193802446 /nfs/dbraw/zinc/80/24/46/1193802446.db2.gz JMTQUGYUYXBJRZ-QGZVFWFLSA-N 2 0 397.564 0.777 20 0 GCADRP CCCNC(=O)CN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433286780 1193802639 /nfs/dbraw/zinc/80/26/39/1193802639.db2.gz JMTQUGYUYXBJRZ-KRWDZBQOSA-N 2 0 397.564 0.777 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000419326414 1193820024 /nfs/dbraw/zinc/82/00/24/1193820024.db2.gz CDWYFNSGHGPJMA-UHFFFAOYSA-N 2 0 387.528 0.438 20 0 GCADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419327081 1193820505 /nfs/dbraw/zinc/82/05/05/1193820505.db2.gz CQQNHRGFRJNEDA-QGZVFWFLSA-N 2 0 376.501 0.973 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000419331298 1193824642 /nfs/dbraw/zinc/82/46/42/1193824642.db2.gz GZBUQMXZKJFVIX-INIZCTEOSA-N 2 0 376.501 0.844 20 0 GCADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419334196 1193826662 /nfs/dbraw/zinc/82/66/62/1193826662.db2.gz GOHNQQNONDNEEE-IAGOWNOFSA-N 2 0 390.528 0.560 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000419343656 1193835178 /nfs/dbraw/zinc/83/51/78/1193835178.db2.gz QWVQPRXIYLLQFN-QGZVFWFLSA-N 2 0 376.501 0.892 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000419340437 1193836142 /nfs/dbraw/zinc/83/61/42/1193836142.db2.gz NHONFTXRIOCTGW-LJQANCHMSA-N 2 0 387.528 0.261 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419346795 1193841366 /nfs/dbraw/zinc/84/13/66/1193841366.db2.gz VWWYIQGSTIPRMW-BGYRXZFFSA-N 2 0 399.539 0.118 20 0 GCADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1OC ZINC000419346370 1193842043 /nfs/dbraw/zinc/84/20/43/1193842043.db2.gz VDBLROHQZBFWRQ-INIZCTEOSA-N 2 0 392.500 0.592 20 0 GCADRP CC[NH2+]CCNC(=O)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000419347368 1193842494 /nfs/dbraw/zinc/84/24/94/1193842494.db2.gz WMYFRLDKATUJKE-UHFFFAOYSA-N 2 0 375.517 0.166 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419350241 1193846808 /nfs/dbraw/zinc/84/68/08/1193846808.db2.gz WHLDVVDXRMFABO-MRXNPFEDSA-N 2 0 395.548 0.119 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419350136 1193846938 /nfs/dbraw/zinc/84/69/38/1193846938.db2.gz ZDPBSMINBAJOFP-QGZVFWFLSA-N 2 0 387.528 0.261 20 0 GCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857263 /nfs/dbraw/zinc/85/72/63/1193857263.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 2 0 379.549 0.396 20 0 GCADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857426 /nfs/dbraw/zinc/85/74/26/1193857426.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 2 0 379.549 0.396 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419360944 1193864640 /nfs/dbraw/zinc/86/46/40/1193864640.db2.gz AGAVDTOOEJHZLA-WMLDXEAASA-N 2 0 388.512 0.431 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccsc1 ZINC000419367641 1193868459 /nfs/dbraw/zinc/86/84/59/1193868459.db2.gz DMNQVWIQEJMXRP-HOTGVXAUSA-N 2 0 382.530 0.823 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000419368168 1193872687 /nfs/dbraw/zinc/87/26/87/1193872687.db2.gz FONVXIPTTXXWLM-MOPGFXCFSA-N 2 0 390.528 0.550 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccsc1 ZINC000419375498 1193874998 /nfs/dbraw/zinc/87/49/98/1193874998.db2.gz RPSIFTIHGPMXQZ-INIZCTEOSA-N 2 0 381.546 0.269 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)Cc2ccccc2C1 ZINC000419373021 1193876157 /nfs/dbraw/zinc/87/61/57/1193876157.db2.gz LWZZTNQNNAWRPV-OTWHNJEPSA-N 2 0 384.524 0.788 20 0 GCADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000419389460 1193900371 /nfs/dbraw/zinc/90/03/71/1193900371.db2.gz FIJUUWUUHINTCV-YLJYHZDGSA-N 2 0 390.553 0.918 20 0 GCADRP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000419393724 1193919287 /nfs/dbraw/zinc/91/92/87/1193919287.db2.gz NSYLADJBRXRQTK-UHFFFAOYSA-N 2 0 376.501 0.292 20 0 GCADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000513219085 1193923073 /nfs/dbraw/zinc/92/30/73/1193923073.db2.gz NONGGUNBSFCLKC-LSDHHAIUSA-N 2 0 379.505 0.287 20 0 GCADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261749369 1193924965 /nfs/dbraw/zinc/92/49/65/1193924965.db2.gz LBTKTQLTJDVMBP-APWZRJJASA-N 2 0 376.501 0.782 20 0 GCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000549936410 1193949125 /nfs/dbraw/zinc/94/91/25/1193949125.db2.gz BLLKMEZCVBDGBF-SFHVURJKSA-N 2 0 393.576 0.653 20 0 GCADRP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513475495 1193955398 /nfs/dbraw/zinc/95/53/98/1193955398.db2.gz KJYCQLUCOAAJIC-KURKYZTESA-N 2 0 395.592 0.563 20 0 GCADRP O=C(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccnc1 ZINC000509933345 1193960168 /nfs/dbraw/zinc/96/01/68/1193960168.db2.gz FJAQJZLEJWEQNO-UHFFFAOYSA-N 2 0 397.483 0.927 20 0 GCADRP O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261797155 1193963339 /nfs/dbraw/zinc/96/33/39/1193963339.db2.gz IOOJMLYIERQZDN-CGTJXYLNSA-N 2 0 378.517 0.347 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC[NH2+]1 ZINC000419404528 1194020660 /nfs/dbraw/zinc/02/06/60/1194020660.db2.gz TXMQTSLOBPGRDR-RDJZCZTQSA-N 2 0 376.526 0.541 20 0 GCADRP O=C(NC[C@@H]1CSCCN1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419404253 1194020795 /nfs/dbraw/zinc/02/07/95/1194020795.db2.gz SQVAWRNCRHCLQI-FGTMMUONSA-N 2 0 388.537 0.398 20 0 GCADRP C[N@H+](CCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000419402993 1194021001 /nfs/dbraw/zinc/02/10/01/1194021001.db2.gz CVXKWCUBWYNBQC-INIZCTEOSA-N 2 0 395.548 0.071 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC[NH2+]1 ZINC000419404529 1194021069 /nfs/dbraw/zinc/02/10/69/1194021069.db2.gz TXMQTSLOBPGRDR-WBVHZDCISA-N 2 0 376.526 0.541 20 0 GCADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419406437 1194021943 /nfs/dbraw/zinc/02/19/43/1194021943.db2.gz WVMXMQQQLLOYCZ-QXAKKESOSA-N 2 0 388.512 0.508 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000419406813 1194022108 /nfs/dbraw/zinc/02/21/08/1194022108.db2.gz JIDFFAXYQRAZFQ-VBNZEHGJSA-N 2 0 380.464 0.774 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419419316 1194022485 /nfs/dbraw/zinc/02/24/85/1194022485.db2.gz JEDDCUAGGPIJJD-QAPCUYQASA-N 2 0 388.512 0.780 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419421714 1194023750 /nfs/dbraw/zinc/02/37/50/1194023750.db2.gz PJTMKAMWJNYCTH-IEBWSBKVSA-N 2 0 387.528 0.116 20 0 GCADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419420458 1194023838 /nfs/dbraw/zinc/02/38/38/1194023838.db2.gz NAPOKKONPBTGPU-MJGOQNOKSA-N 2 0 389.544 0.453 20 0 GCADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419424340 1194025432 /nfs/dbraw/zinc/02/54/32/1194025432.db2.gz TVWDEGMZTKHXMV-QGZVFWFLSA-N 2 0 375.517 0.022 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419424082 1194025818 /nfs/dbraw/zinc/02/58/18/1194025818.db2.gz STBLQSLFFAIQDS-KRWDZBQOSA-N 2 0 375.517 0.287 20 0 GCADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419427561 1194026552 /nfs/dbraw/zinc/02/65/52/1194026552.db2.gz ZGHVFECCHPNJFF-UHFFFAOYSA-N 2 0 387.528 0.179 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427549 1194026763 /nfs/dbraw/zinc/02/67/63/1194026763.db2.gz ZFDBBASXXXRLMP-OALUTQOASA-N 2 0 387.528 0.350 20 0 GCADRP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419409571 1194028552 /nfs/dbraw/zinc/02/85/52/1194028552.db2.gz FIHHJDFJJPHHHM-CEXWTWQISA-N 2 0 388.512 0.603 20 0 GCADRP CN1CC[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000419413368 1194030573 /nfs/dbraw/zinc/03/05/73/1194030573.db2.gz FIPMRUPULATVGN-SFHVURJKSA-N 2 0 387.528 0.479 20 0 GCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419412908 1194030820 /nfs/dbraw/zinc/03/08/20/1194030820.db2.gz DVMAVHUCMYGEFD-ROUUACIJSA-N 2 0 387.528 0.559 20 0 GCADRP CC[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419416484 1194032175 /nfs/dbraw/zinc/03/21/75/1194032175.db2.gz WHXYENXPKAVCAA-MOPGFXCFSA-N 2 0 388.512 0.516 20 0 GCADRP CC[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000419416488 1194032507 /nfs/dbraw/zinc/03/25/07/1194032507.db2.gz WHXYENXPKAVCAA-RBUKOAKNSA-N 2 0 388.512 0.516 20 0 GCADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419445757 1194035897 /nfs/dbraw/zinc/03/58/97/1194035897.db2.gz FDNDIJIIQHOUSJ-QZTJIDSGSA-N 2 0 387.528 0.429 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419482506 1194041386 /nfs/dbraw/zinc/04/13/86/1194041386.db2.gz QKKWDFZPZLINAY-BRSBDYLESA-N 2 0 382.549 0.825 20 0 GCADRP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000419481297 1194041496 /nfs/dbraw/zinc/04/14/96/1194041496.db2.gz WQLXWJHMIACIQG-SJLPKXTDSA-N 2 0 376.501 0.183 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419507173 1194047405 /nfs/dbraw/zinc/04/74/05/1194047405.db2.gz OCUIHRBXHGWOPX-JQHSSLGASA-N 2 0 388.512 0.854 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000419516890 1194051466 /nfs/dbraw/zinc/05/14/66/1194051466.db2.gz VNNCRSFGOKZABK-LJQANCHMSA-N 2 0 389.544 0.723 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419516870 1194051786 /nfs/dbraw/zinc/05/17/86/1194051786.db2.gz VHKGDQPLVLVHOW-QGZVFWFLSA-N 2 0 375.517 0.334 20 0 GCADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000419517445 1194052556 /nfs/dbraw/zinc/05/25/56/1194052556.db2.gz WXWLPUJTXMJMPF-GOSISDBHSA-N 2 0 389.544 0.819 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419535500 1194054804 /nfs/dbraw/zinc/05/48/04/1194054804.db2.gz LFKBIBDJIVNROP-QRQLOZEOSA-N 2 0 390.528 0.926 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419535504 1194054900 /nfs/dbraw/zinc/05/49/00/1194054900.db2.gz LFKBIBDJIVNROP-WDSOQIARSA-N 2 0 390.528 0.926 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419536403 1194054984 /nfs/dbraw/zinc/05/49/84/1194054984.db2.gz MFCZXYKGWWDNPB-QZTJIDSGSA-N 2 0 376.501 0.762 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419535498 1194055122 /nfs/dbraw/zinc/05/51/22/1194055122.db2.gz LFKBIBDJIVNROP-NEWSRXKRSA-N 2 0 390.528 0.926 20 0 GCADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000419539405 1194055838 /nfs/dbraw/zinc/05/58/38/1194055838.db2.gz POUQUNLSEOHBTN-GOSISDBHSA-N 2 0 376.501 0.634 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000419549842 1194057262 /nfs/dbraw/zinc/05/72/62/1194057262.db2.gz VWJOVUORZOIQPY-NEWSRXKRSA-N 2 0 390.528 0.926 20 0 GCADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419549317 1194057441 /nfs/dbraw/zinc/05/74/41/1194057441.db2.gz VLFCHEUAGNZLCW-WMZOPIPTSA-N 2 0 376.501 0.633 20 0 GCADRP C[C@@H](CO)CCCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000419574465 1194059492 /nfs/dbraw/zinc/05/94/92/1194059492.db2.gz SMGDRLCLGHJQIP-QGZVFWFLSA-N 2 0 390.528 0.621 20 0 GCADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCSC1 ZINC000419583859 1194060855 /nfs/dbraw/zinc/06/08/55/1194060855.db2.gz LQMVKRSUYJPJHI-FRQCXROJSA-N 2 0 376.526 0.493 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419596028 1194068092 /nfs/dbraw/zinc/06/80/92/1194068092.db2.gz XKMWBJGADKRYNQ-SQNIBIBYSA-N 2 0 380.533 0.722 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000419656112 1194074100 /nfs/dbraw/zinc/07/41/00/1194074100.db2.gz IBQFWEXXOLHXHJ-KRWDZBQOSA-N 2 0 376.501 0.626 20 0 GCADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000419655628 1194074175 /nfs/dbraw/zinc/07/41/75/1194074175.db2.gz HWYJHVSYBXLIBV-UHFFFAOYSA-N 2 0 390.528 0.792 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000419657811 1194074623 /nfs/dbraw/zinc/07/46/23/1194074623.db2.gz KFYLRPZDWVRTQO-SJLPKXTDSA-N 2 0 390.528 0.729 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000419657721 1194074692 /nfs/dbraw/zinc/07/46/92/1194074692.db2.gz JVYRMHIIKADTOQ-DOTOQJQBSA-N 2 0 376.501 0.829 20 0 GCADRP CC(C)(CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000419663032 1194077363 /nfs/dbraw/zinc/07/73/63/1194077363.db2.gz JBZIBELVRXVQKW-MRXNPFEDSA-N 2 0 395.548 0.071 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000419661721 1194077557 /nfs/dbraw/zinc/07/75/57/1194077557.db2.gz MYBWENJKJUNIRR-QGZVFWFLSA-N 2 0 376.501 0.701 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000419666695 1194078385 /nfs/dbraw/zinc/07/83/85/1194078385.db2.gz WHCMEDBMOJVAIS-CRAIPNDOSA-N 2 0 376.501 0.829 20 0 GCADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000419666312 1194078747 /nfs/dbraw/zinc/07/87/47/1194078747.db2.gz VZMZPFUTMXPHNG-NZSAHSFTSA-N 2 0 388.512 0.650 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419679057 1194080927 /nfs/dbraw/zinc/08/09/27/1194080927.db2.gz PCHSIWFGWQRMBU-DLBZAZTESA-N 2 0 380.464 0.163 20 0 GCADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCCO1 ZINC000419681226 1194081245 /nfs/dbraw/zinc/08/12/45/1194081245.db2.gz RNFVZBRXNLMFIQ-KRWDZBQOSA-N 2 0 380.533 0.725 20 0 GCADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419689065 1194085058 /nfs/dbraw/zinc/08/50/58/1194085058.db2.gz IEGRNVOSQJFQDE-QGZVFWFLSA-N 2 0 375.517 0.164 20 0 GCADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419693541 1194085991 /nfs/dbraw/zinc/08/59/91/1194085991.db2.gz NLUIETLWOJIKIB-SFHVURJKSA-N 2 0 389.544 0.506 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000419699274 1194087635 /nfs/dbraw/zinc/08/76/35/1194087635.db2.gz VZZKVGGHJDXEEX-UHOSZYNNSA-N 2 0 392.544 0.864 20 0 GCADRP CC1(C)CC(NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC(C)(C)[NH2+]1 ZINC000419728640 1194088721 /nfs/dbraw/zinc/08/87/21/1194088721.db2.gz YSGKJEQDJIKBEF-OAHLLOKOSA-N 2 0 395.548 0.258 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419744199 1194094752 /nfs/dbraw/zinc/09/47/52/1194094752.db2.gz MUEJVCVLEQLZBB-OAHLLOKOSA-N 2 0 395.935 0.822 20 0 GCADRP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419744997 1194095381 /nfs/dbraw/zinc/09/53/81/1194095381.db2.gz ONUDXTLBRRPHHN-UHFFFAOYSA-N 2 0 381.908 0.304 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CCCC2)CC1 ZINC000419746321 1194095620 /nfs/dbraw/zinc/09/56/20/1194095620.db2.gz BTONUJNLSSUZAD-FQEVSTJZSA-N 2 0 392.544 0.738 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)NCCC3=CC[NH2+]CC3)CCCC2)CC1 ZINC000419751872 1194096812 /nfs/dbraw/zinc/09/68/12/1194096812.db2.gz LGKHMIDQTGEKKT-UHFFFAOYSA-N 2 0 392.544 0.952 20 0 GCADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419754688 1194097914 /nfs/dbraw/zinc/09/79/14/1194097914.db2.gz BQQDPEZMUBWCTE-JQHSSLGASA-N 2 0 376.476 0.960 20 0 GCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000419753918 1194098036 /nfs/dbraw/zinc/09/80/36/1194098036.db2.gz ZERTVIBCYGRZDL-JKSUJKDBSA-N 2 0 388.512 0.468 20 0 GCADRP COC1CC[NH+](C2(CNC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)CC1 ZINC000419757972 1194098585 /nfs/dbraw/zinc/09/85/85/1194098585.db2.gz VLJXDJLFMBWXQW-SJORKVTESA-N 2 0 392.544 0.879 20 0 GCADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000419758529 1194099307 /nfs/dbraw/zinc/09/93/07/1194099307.db2.gz JQGBGFRPWPOROH-IBGZPJMESA-N 2 0 390.528 0.747 20 0 GCADRP COc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000419800497 1194106372 /nfs/dbraw/zinc/10/63/72/1194106372.db2.gz AKDPTMLUQJLDDE-ROUUACIJSA-N 2 0 390.484 0.134 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)c1 ZINC000419800648 1194106448 /nfs/dbraw/zinc/10/64/48/1194106448.db2.gz IHPNATYPHPIAOZ-UHFFFAOYSA-N 2 0 375.473 0.517 20 0 GCADRP COc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)ccc1OCC[NH+](C)C ZINC000419824690 1194111014 /nfs/dbraw/zinc/11/10/14/1194111014.db2.gz QPTOUJULMKGVEX-UHFFFAOYSA-N 2 0 378.473 0.785 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419826006 1194111208 /nfs/dbraw/zinc/11/12/08/1194111208.db2.gz RVAWQXNWNQRRMS-QGZVFWFLSA-N 2 0 380.533 0.786 20 0 GCADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCO1 ZINC000419809096 1194111974 /nfs/dbraw/zinc/11/19/74/1194111974.db2.gz HFJYFNWAZLKNFG-QGZVFWFLSA-N 2 0 380.533 0.868 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000419812307 1194112587 /nfs/dbraw/zinc/11/25/87/1194112587.db2.gz ZKZTXTFNJLFWCV-UHFFFAOYSA-N 2 0 393.576 0.781 20 0 GCADRP C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419848189 1194113802 /nfs/dbraw/zinc/11/38/02/1194113802.db2.gz UCLPRFMNSFPILT-QZTJIDSGSA-N 2 0 381.565 0.508 20 0 GCADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419850357 1194115313 /nfs/dbraw/zinc/11/53/13/1194115313.db2.gz FXBQALANJWDCIO-UHFFFAOYSA-N 2 0 393.507 0.127 20 0 GCADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000419850364 1194115554 /nfs/dbraw/zinc/11/55/54/1194115554.db2.gz FXLBGBJTNNPMGJ-PKOBYXMFSA-N 2 0 387.528 0.177 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419832059 1194116689 /nfs/dbraw/zinc/11/66/89/1194116689.db2.gz RLOOQSUFNPRZRX-GOSISDBHSA-N 2 0 389.544 0.364 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419839903 1194118918 /nfs/dbraw/zinc/11/89/18/1194118918.db2.gz YVUITUOTHQFIIP-AEFFLSMTSA-N 2 0 375.517 0.192 20 0 GCADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419841769 1194119286 /nfs/dbraw/zinc/11/92/86/1194119286.db2.gz AHJPAEWNKDIPCC-UHFFFAOYSA-N 2 0 381.565 0.368 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419852718 1194120845 /nfs/dbraw/zinc/12/08/45/1194120845.db2.gz LXDWOOGTLHPUKA-IBGZPJMESA-N 2 0 387.528 0.179 20 0 GCADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419854517 1194122140 /nfs/dbraw/zinc/12/21/40/1194122140.db2.gz GTZCBKHVNPWUGU-SFHVURJKSA-N 2 0 380.533 0.453 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000419856552 1194122386 /nfs/dbraw/zinc/12/23/86/1194122386.db2.gz JBZKNKHIAKEUOA-NUJGCVRESA-N 2 0 380.533 0.450 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419857379 1194122921 /nfs/dbraw/zinc/12/29/21/1194122921.db2.gz KCXCIMXSCALPDR-KSZLIROESA-N 2 0 379.549 0.119 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858021 1194123042 /nfs/dbraw/zinc/12/30/42/1194123042.db2.gz KVNGCUTUNAXZAX-CQSZACIVSA-N 2 0 382.455 0.971 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419860697 1194124223 /nfs/dbraw/zinc/12/42/23/1194124223.db2.gz CJRCZTVYWQLWQA-GOSISDBHSA-N 2 0 379.549 0.311 20 0 GCADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000419861460 1194124663 /nfs/dbraw/zinc/12/46/63/1194124663.db2.gz DXMFQVXOMPXGSU-LJQANCHMSA-N 2 0 393.576 0.513 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419864342 1194125152 /nfs/dbraw/zinc/12/51/52/1194125152.db2.gz INLALJXHALHOOC-CALCHBBNSA-N 2 0 381.565 0.271 20 0 GCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863721 1194125542 /nfs/dbraw/zinc/12/55/42/1194125542.db2.gz IBMZJWFQSBOCQH-MJGOQNOKSA-N 2 0 387.528 0.350 20 0 GCADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000419870610 1194127721 /nfs/dbraw/zinc/12/77/21/1194127721.db2.gz OWFYIAZFZVKVIA-GOSISDBHSA-N 2 0 375.517 0.125 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419851751 1194129462 /nfs/dbraw/zinc/12/94/62/1194129462.db2.gz JLTWAZYJFXVECT-IYBDPMFKSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419880142 1194131451 /nfs/dbraw/zinc/13/14/51/1194131451.db2.gz ZXCMBILPQLJIRJ-HDICACEKSA-N 2 0 381.565 0.272 20 0 GCADRP C[C@H](NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000419886114 1194132914 /nfs/dbraw/zinc/13/29/14/1194132914.db2.gz KLHMQXKFLSMTPT-YRXWBPOGSA-N 2 0 393.576 0.508 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419916392 1194137932 /nfs/dbraw/zinc/13/79/32/1194137932.db2.gz QSBWTIKJHHQCTJ-GOSISDBHSA-N 2 0 376.501 0.762 20 0 GCADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419923871 1194139857 /nfs/dbraw/zinc/13/98/57/1194139857.db2.gz BOUGKIKLWJZEOD-HNNXBMFYSA-N 2 0 375.473 0.245 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419948846 1194143301 /nfs/dbraw/zinc/14/33/01/1194143301.db2.gz GMJZXDOAQMIXDQ-SOLBZPMBSA-N 2 0 382.549 0.824 20 0 GCADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419956386 1194144247 /nfs/dbraw/zinc/14/42/47/1194144247.db2.gz ALGXWXVMFFUIDX-ROUUACIJSA-N 2 0 382.549 0.970 20 0 GCADRP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419936469 1194145055 /nfs/dbraw/zinc/14/50/55/1194145055.db2.gz UIPLPGWVTKALOS-HXUWFJFHSA-N 2 0 376.501 0.198 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419942557 1194146516 /nfs/dbraw/zinc/14/65/16/1194146516.db2.gz GCFRTUGJMKJBHD-JXFKEZNVSA-N 2 0 376.501 0.054 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419960519 1194147896 /nfs/dbraw/zinc/14/78/96/1194147896.db2.gz WGAFXBDYQDYCJI-WMZOPIPTSA-N 2 0 375.517 0.866 20 0 GCADRP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000419961102 1194147912 /nfs/dbraw/zinc/14/79/12/1194147912.db2.gz FUYMFFIIRNWTKH-AEFFLSMTSA-N 2 0 380.533 0.581 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419969379 1194149474 /nfs/dbraw/zinc/14/94/74/1194149474.db2.gz SBLVJEPKKWVOOL-SFHVURJKSA-N 2 0 381.565 0.495 20 0 GCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419978621 1194151344 /nfs/dbraw/zinc/15/13/44/1194151344.db2.gz OLFGUTIDISBOLK-OKZBNKHCSA-N 2 0 381.565 0.493 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419988217 1194152993 /nfs/dbraw/zinc/15/29/93/1194152993.db2.gz ZHJBEJIQBIXOGH-QGZVFWFLSA-N 2 0 382.549 0.842 20 0 GCADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419988597 1194153220 /nfs/dbraw/zinc/15/32/20/1194153220.db2.gz ZTPHAQNYNJUQJD-MSOLQXFVSA-N 2 0 379.549 0.121 20 0 GCADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419992821 1194154044 /nfs/dbraw/zinc/15/40/44/1194154044.db2.gz IBPRQDONTQMKKE-XLIONFOSSA-N 2 0 376.501 0.181 20 0 GCADRP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419996068 1194154575 /nfs/dbraw/zinc/15/45/75/1194154575.db2.gz MYAGYUYLVRQAEV-NJAFHUGGSA-N 2 0 381.565 0.636 20 0 GCADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420000278 1194155722 /nfs/dbraw/zinc/15/57/22/1194155722.db2.gz SXJZYJBZRHNPOZ-LVCYWYKZSA-N 2 0 388.512 0.325 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)c1cc(C(N)=O)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894246953 1194156260 /nfs/dbraw/zinc/15/62/60/1194156260.db2.gz BAWORIQHFRNXER-GJZGRUSLSA-N 2 0 375.521 0.636 20 0 GCADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000420030651 1194160413 /nfs/dbraw/zinc/16/04/13/1194160413.db2.gz GPKTWIUPVRKIIN-ZBFHGGJFSA-N 2 0 384.521 0.175 20 0 GCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000420011855 1194161746 /nfs/dbraw/zinc/16/17/46/1194161746.db2.gz IOUQZEVHNKNBFS-MSOLQXFVSA-N 2 0 375.517 0.994 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420017863 1194162514 /nfs/dbraw/zinc/16/25/14/1194162514.db2.gz OOQAWXARJNZBQL-AEFFLSMTSA-N 2 0 382.549 0.970 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000420041650 1194166899 /nfs/dbraw/zinc/16/68/99/1194166899.db2.gz PYNRTECQAODNMP-WMLDXEAASA-N 2 0 394.491 0.945 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000420044041 1194167419 /nfs/dbraw/zinc/16/74/19/1194167419.db2.gz OZLPTOVYWODBGB-PSBWJHGTSA-N 2 0 394.560 0.968 20 0 GCADRP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420046371 1194168275 /nfs/dbraw/zinc/16/82/75/1194168275.db2.gz AAOGJNJDFBJKGB-IAGOWNOFSA-N 2 0 381.565 0.636 20 0 GCADRP COC(=O)CCN1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000420049639 1194169516 /nfs/dbraw/zinc/16/95/16/1194169516.db2.gz ZITAQUVMANAJAI-INIZCTEOSA-N 2 0 396.532 0.511 20 0 GCADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420055168 1194171041 /nfs/dbraw/zinc/17/10/41/1194171041.db2.gz HQMDVRGUYFNVLU-WMZOPIPTSA-N 2 0 388.512 0.950 20 0 GCADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000420055086 1194171100 /nfs/dbraw/zinc/17/11/00/1194171100.db2.gz LPVCONLKUJMXNQ-LJQANCHMSA-N 2 0 386.496 0.992 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420074147 1194172720 /nfs/dbraw/zinc/17/27/20/1194172720.db2.gz QCZYQSGXSXVCPU-LMMKCTJWSA-N 2 0 393.576 0.637 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420078726 1194173748 /nfs/dbraw/zinc/17/37/48/1194173748.db2.gz FSXBLNSTJWVXPB-IYBDPMFKSA-N 2 0 382.549 0.968 20 0 GCADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420078724 1194173956 /nfs/dbraw/zinc/17/39/56/1194173956.db2.gz FSXBLNSTJWVXPB-HOTGVXAUSA-N 2 0 382.549 0.968 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C[C@@H](C)O1 ZINC000420082484 1194174545 /nfs/dbraw/zinc/17/45/45/1194174545.db2.gz JMHSDINNHZCIAB-GPMSIDNRSA-N 2 0 394.560 0.968 20 0 GCADRP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420084509 1194174620 /nfs/dbraw/zinc/17/46/20/1194174620.db2.gz ABKOXTUYQZTDHU-QZTJIDSGSA-N 2 0 393.576 0.780 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000420100910 1194177837 /nfs/dbraw/zinc/17/78/37/1194177837.db2.gz LEXLRIRENOWLQR-OAQYLSRUSA-N 2 0 393.576 0.509 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH+](C)C ZINC000420102878 1194178456 /nfs/dbraw/zinc/17/84/56/1194178456.db2.gz QMFHHWHXROZJBJ-OLUCIUBSSA-N 2 0 394.466 0.935 20 0 GCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420103407 1194178555 /nfs/dbraw/zinc/17/85/55/1194178555.db2.gz QZRLWSMIZJIHBI-DHSIGJKJSA-N 2 0 394.466 0.937 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420105364 1194179292 /nfs/dbraw/zinc/17/92/92/1194179292.db2.gz QIHMEZYTQGAGAW-FQEVSTJZSA-N 2 0 382.549 0.842 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCN1C1CC[NH+](C)CC1 ZINC000420105772 1194179801 /nfs/dbraw/zinc/17/98/01/1194179801.db2.gz SUIFFRMRUFEUAN-MRXNPFEDSA-N 2 0 399.539 0.533 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000420106716 1194180241 /nfs/dbraw/zinc/18/02/41/1194180241.db2.gz UZLAVLACCNFQTR-LJQANCHMSA-N 2 0 388.512 0.865 20 0 GCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420119173 1194187145 /nfs/dbraw/zinc/18/71/45/1194187145.db2.gz NEXKAVFMLUFYCT-PLMTUMEDSA-N 2 0 388.512 0.196 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420125440 1194188790 /nfs/dbraw/zinc/18/87/90/1194188790.db2.gz PVOHTFHNXLIBQF-NQIIRXRSSA-N 2 0 390.528 0.716 20 0 GCADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420125442 1194188893 /nfs/dbraw/zinc/18/88/93/1194188893.db2.gz PVOHTFHNXLIBQF-WIYYLYMNSA-N 2 0 390.528 0.716 20 0 GCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420155807 1194190519 /nfs/dbraw/zinc/19/05/19/1194190519.db2.gz DQMBDUDITZEQDI-QGZVFWFLSA-N 2 0 380.533 0.452 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000420133584 1194190756 /nfs/dbraw/zinc/19/07/56/1194190756.db2.gz TYPPGHIIWWSJKX-WBVHZDCISA-N 2 0 376.501 0.842 20 0 GCADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000420160742 1194191358 /nfs/dbraw/zinc/19/13/58/1194191358.db2.gz VICDYFIBZLWRMO-NZSAHSFTSA-N 2 0 395.592 0.896 20 0 GCADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000420162977 1194191875 /nfs/dbraw/zinc/19/18/75/1194191875.db2.gz JRHRQZFLLAYUSA-IAGOWNOFSA-N 2 0 392.544 0.760 20 0 GCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501586928 1194196762 /nfs/dbraw/zinc/19/67/62/1194196762.db2.gz VHWLEKWCUWVZER-DLBZAZTESA-N 2 0 380.533 0.452 20 0 GCADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000420182557 1194197050 /nfs/dbraw/zinc/19/70/50/1194197050.db2.gz FNGWDUHMRBVNNL-QZTJIDSGSA-N 2 0 380.533 0.596 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420182539 1194197085 /nfs/dbraw/zinc/19/70/85/1194197085.db2.gz FMFFDUGKVIVXRF-LJQANCHMSA-N 2 0 390.528 0.504 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420182538 1194197275 /nfs/dbraw/zinc/19/72/75/1194197275.db2.gz FMFFDUGKVIVXRF-IBGZPJMESA-N 2 0 390.528 0.504 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501586669 1194197340 /nfs/dbraw/zinc/19/73/40/1194197340.db2.gz GBCJVQPTIMROAV-QGZVFWFLSA-N 2 0 382.549 0.650 20 0 GCADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000982930467 1194197368 /nfs/dbraw/zinc/19/73/68/1194197368.db2.gz NNURUNMKXXYNEB-BRSBDYLESA-N 2 0 380.533 0.402 20 0 GCADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000501588893 1194197621 /nfs/dbraw/zinc/19/76/21/1194197621.db2.gz MFCHVXHWRZDCJN-QGZVFWFLSA-N 2 0 392.544 0.690 20 0 GCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501591319 1194198227 /nfs/dbraw/zinc/19/82/27/1194198227.db2.gz UJTGMAHPHNIOEW-MRXNPFEDSA-N 2 0 380.533 0.546 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501591334 1194198397 /nfs/dbraw/zinc/19/83/97/1194198397.db2.gz ULQLHUPJRUVUEY-ZWKOTPCHSA-N 2 0 394.560 0.698 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@@H](C)O1 ZINC000420173634 1194201045 /nfs/dbraw/zinc/20/10/45/1194201045.db2.gz VQGWWHIYKWVPTJ-VXIBKDFQSA-N 2 0 394.560 0.981 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420199598 1194202555 /nfs/dbraw/zinc/20/25/55/1194202555.db2.gz WTBTXTONEFFOAU-HNNXBMFYSA-N 2 0 398.454 0.350 20 0 GCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420198997 1194202799 /nfs/dbraw/zinc/20/27/99/1194202799.db2.gz MYRIHKUXCMUVJN-RTBURBONSA-N 2 0 388.512 0.462 20 0 GCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000420201923 1194203463 /nfs/dbraw/zinc/20/34/63/1194203463.db2.gz NOTRQAWIXJGZFX-ROUUACIJSA-N 2 0 380.533 0.581 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000420191222 1194207308 /nfs/dbraw/zinc/20/73/08/1194207308.db2.gz HMFAKTZWNXJDLD-SJORKVTESA-N 2 0 379.549 0.247 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501595715 1194207736 /nfs/dbraw/zinc/20/77/36/1194207736.db2.gz HEICCQYDWMHLRO-APWZRJJASA-N 2 0 392.544 0.737 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H](C)O1 ZINC000501622156 1194209700 /nfs/dbraw/zinc/20/97/00/1194209700.db2.gz IIERKONUVIOOBA-LMMKCTJWSA-N 2 0 394.560 0.983 20 0 GCADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420222852 1194210552 /nfs/dbraw/zinc/21/05/52/1194210552.db2.gz TZMKSTNCLVRTIQ-KZNAEPCWSA-N 2 0 380.533 0.594 20 0 GCADRP C[C@H]1OCCN(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000420209533 1194211536 /nfs/dbraw/zinc/21/15/36/1194211536.db2.gz SZVOJMGSWCJDEL-IAGOWNOFSA-N 2 0 388.512 0.732 20 0 GCADRP [NH3+]C1(CNC(=O)C(=O)N2C[C@H](F)C[C@H]2CO)CC[NH+](Cc2ccccc2)CC1 ZINC000420213885 1194213942 /nfs/dbraw/zinc/21/39/42/1194213942.db2.gz YYQNBMKPBXQBAY-SJORKVTESA-N 2 0 392.475 0.027 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420219665 1194215068 /nfs/dbraw/zinc/21/50/68/1194215068.db2.gz YWATTYGCXJZTPJ-XMTFNYHQSA-N 2 0 379.549 0.247 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000420219317 1194215095 /nfs/dbraw/zinc/21/50/95/1194215095.db2.gz XGAXOYAPDUFSQA-OWCLPIDISA-N 2 0 387.484 0.243 20 0 GCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501635185 1194216320 /nfs/dbraw/zinc/21/63/20/1194216320.db2.gz FXVKYJPXPSMEOS-FUHWJXTLSA-N 2 0 380.533 0.546 20 0 GCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501635162 1194216449 /nfs/dbraw/zinc/21/64/49/1194216449.db2.gz FTUNWJAIZOCCSJ-DLBZAZTESA-N 2 0 380.533 0.404 20 0 GCADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000501632631 1194216534 /nfs/dbraw/zinc/21/65/34/1194216534.db2.gz AZCICXMIFALOTF-HKUYNNGSSA-N 2 0 392.544 0.690 20 0 GCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501638011 1194217399 /nfs/dbraw/zinc/21/73/99/1194217399.db2.gz JTEBHSZZXCRVMQ-QZTJIDSGSA-N 2 0 394.560 0.984 20 0 GCADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501649278 1194219297 /nfs/dbraw/zinc/21/92/97/1194219297.db2.gz SKSABOFXIRLHED-IBGZPJMESA-N 2 0 393.576 0.463 20 0 GCADRP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347224 1194222255 /nfs/dbraw/zinc/22/22/55/1194222255.db2.gz FVPUFHWFVHUUML-MRXNPFEDSA-N 2 0 382.530 0.295 20 0 GCADRP CC(C)N(CCCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)S(C)(=O)=O ZINC000420339569 1194222697 /nfs/dbraw/zinc/22/26/97/1194222697.db2.gz QUFVCJNTRZISQQ-KRWDZBQOSA-N 2 0 388.578 0.627 20 0 GCADRP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420351392 1194223884 /nfs/dbraw/zinc/22/38/84/1194223884.db2.gz WVCRBFVCCNDRMA-RTBURBONSA-N 2 0 376.476 0.705 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000501733394 1194224812 /nfs/dbraw/zinc/22/48/12/1194224812.db2.gz SHASIBNAYHFOCE-IEBWSBKVSA-N 2 0 390.528 0.708 20 0 GCADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652726624 1194348506 /nfs/dbraw/zinc/34/85/06/1194348506.db2.gz DWNKDLQZRNROEB-RCCFBDPRSA-N 2 0 382.549 0.778 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CCN1C1CC[NH+](C)CC1 ZINC000422103439 1194385976 /nfs/dbraw/zinc/38/59/76/1194385976.db2.gz GSESGRVOQJQIQU-AEFFLSMTSA-N 2 0 379.549 0.166 20 0 GCADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422089920 1194388391 /nfs/dbraw/zinc/38/83/91/1194388391.db2.gz UZXIWOYMYBXZTN-MSOLQXFVSA-N 2 0 381.565 0.317 20 0 GCADRP CC(C)N(C[C@H](O)CO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422157327 1194402656 /nfs/dbraw/zinc/40/26/56/1194402656.db2.gz ONGGTGCOBDWHHH-SFHVURJKSA-N 2 0 379.505 0.367 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000272764470 1194498480 /nfs/dbraw/zinc/49/84/80/1194498480.db2.gz LGDTYPFJOYJHBV-OALUTQOASA-N 2 0 376.501 0.773 20 0 GCADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000273042087 1194533100 /nfs/dbraw/zinc/53/31/00/1194533100.db2.gz GIOGTPNMJZHLNB-MISYRCLQSA-N 2 0 375.513 0.954 20 0 GCADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000422262812 1194595417 /nfs/dbraw/zinc/59/54/17/1194595417.db2.gz AFBBYTLRNKUJDR-KRWDZBQOSA-N 2 0 391.560 0.358 20 0 GCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000422268692 1194596746 /nfs/dbraw/zinc/59/67/46/1194596746.db2.gz KHOVBTOQZRQZDW-QGZVFWFLSA-N 2 0 376.501 0.796 20 0 GCADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000422283814 1194602593 /nfs/dbraw/zinc/60/25/93/1194602593.db2.gz HFZYXFVKAYNBGN-HOTGVXAUSA-N 2 0 391.541 0.720 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000422302750 1194609568 /nfs/dbraw/zinc/60/95/68/1194609568.db2.gz RWSZXRVHYODNSZ-MRXNPFEDSA-N 2 0 382.530 0.475 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000422302906 1194610159 /nfs/dbraw/zinc/61/01/59/1194610159.db2.gz HAKXPDGNXYVLHG-SFHVURJKSA-N 2 0 390.528 0.838 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000503303457 1194624939 /nfs/dbraw/zinc/62/49/39/1194624939.db2.gz PZYFWTVNHHYNGK-UHFFFAOYSA-N 2 0 385.534 0.799 20 0 GCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000422378182 1194626828 /nfs/dbraw/zinc/62/68/28/1194626828.db2.gz LTGJEBPEGKMURP-RBUKOAKNSA-N 2 0 388.512 0.422 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000422491340 1194651377 /nfs/dbraw/zinc/65/13/77/1194651377.db2.gz NPTNXNBPJRLESU-QZTJIDSGSA-N 2 0 382.549 0.794 20 0 GCADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000422547347 1194668625 /nfs/dbraw/zinc/66/86/25/1194668625.db2.gz WNTNFSTXTCCQIV-WIYYLYMNSA-N 2 0 388.512 0.292 20 0 GCADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000422630274 1194678607 /nfs/dbraw/zinc/67/86/07/1194678607.db2.gz YQZHQHBDBJPTTA-UHFFFAOYSA-N 2 0 380.533 0.546 20 0 GCADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714568 1194693791 /nfs/dbraw/zinc/69/37/91/1194693791.db2.gz LBWZXBACTQXVJV-DLBZAZTESA-N 2 0 376.505 0.262 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC000422760462 1194695750 /nfs/dbraw/zinc/69/57/50/1194695750.db2.gz LUBQKYRJSOOLFS-OAHLLOKOSA-N 2 0 383.514 0.876 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC[NH2+]CC1 ZINC000422814500 1194702046 /nfs/dbraw/zinc/70/20/46/1194702046.db2.gz VDRFAYGOYBZBBA-AWEZNQCLSA-N 2 0 383.514 0.788 20 0 GCADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)CC[NH2+]CC1 ZINC000422993370 1194713743 /nfs/dbraw/zinc/71/37/43/1194713743.db2.gz SPZBZSLIYLRWKR-GJZGRUSLSA-N 2 0 377.489 0.745 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000423029991 1194719689 /nfs/dbraw/zinc/71/96/89/1194719689.db2.gz AZUCOTOPRNJFSM-QGZVFWFLSA-N 2 0 376.476 0.928 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)CC[NH2+]CC1 ZINC000423055343 1194725519 /nfs/dbraw/zinc/72/55/19/1194725519.db2.gz VYJHNXBITADWAL-CQSZACIVSA-N 2 0 380.489 0.762 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423095480 1194726725 /nfs/dbraw/zinc/72/67/25/1194726725.db2.gz MNEZUALXHFNUQS-HXUWFJFHSA-N 2 0 376.476 0.928 20 0 GCADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423128166 1194729242 /nfs/dbraw/zinc/72/92/42/1194729242.db2.gz KLIMGLWXVBVWHZ-CGTJXYLNSA-N 2 0 379.549 0.057 20 0 GCADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423103637 1194729759 /nfs/dbraw/zinc/72/97/59/1194729759.db2.gz XRUONONMIHQQBU-DOTOQJQBSA-N 2 0 376.476 0.784 20 0 GCADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423184433 1194733322 /nfs/dbraw/zinc/73/33/22/1194733322.db2.gz SZHGZYUFVRJXAC-QGZVFWFLSA-N 2 0 396.557 0.653 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423167282 1194735186 /nfs/dbraw/zinc/73/51/86/1194735186.db2.gz RXTGDLJKUSITCW-DLBZAZTESA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423168956 1194735190 /nfs/dbraw/zinc/73/51/90/1194735190.db2.gz VNRVRXBOAAEXFJ-DLBZAZTESA-N 2 0 376.476 0.784 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423205826 1194736558 /nfs/dbraw/zinc/73/65/58/1194736558.db2.gz PRSJXMXVUHEJRD-HOCLYGCPSA-N 2 0 394.466 0.923 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423208373 1194736583 /nfs/dbraw/zinc/73/65/83/1194736583.db2.gz HTVJLJOZWFZMPC-MSOLQXFVSA-N 2 0 394.560 0.792 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423208374 1194736596 /nfs/dbraw/zinc/73/65/96/1194736596.db2.gz HTVJLJOZWFZMPC-QZTJIDSGSA-N 2 0 394.560 0.792 20 0 GCADRP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000423208749 1194737105 /nfs/dbraw/zinc/73/71/05/1194737105.db2.gz DPVSQSKGUNNWLL-GOSISDBHSA-N 2 0 380.533 0.535 20 0 GCADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423212060 1194737366 /nfs/dbraw/zinc/73/73/66/1194737366.db2.gz ZOGHUPAHCWCXAI-KSZLIROESA-N 2 0 394.560 0.922 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000423212100 1194737508 /nfs/dbraw/zinc/73/75/08/1194737508.db2.gz ZRNNSICYLDJWAC-AWEZNQCLSA-N 2 0 382.455 0.923 20 0 GCADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000423212101 1194737583 /nfs/dbraw/zinc/73/75/83/1194737583.db2.gz ZRNNSICYLDJWAC-CQSZACIVSA-N 2 0 382.455 0.923 20 0 GCADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423197707 1194738553 /nfs/dbraw/zinc/73/85/53/1194738553.db2.gz ASDMYDGXPOLYMZ-IBGZPJMESA-N 2 0 390.528 0.586 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423199488 1194738573 /nfs/dbraw/zinc/73/85/73/1194738573.db2.gz BQNPDQKVJUJDCY-CVEARBPZSA-N 2 0 394.466 0.923 20 0 GCADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423199489 1194738692 /nfs/dbraw/zinc/73/86/92/1194738692.db2.gz BQNPDQKVJUJDCY-HOTGVXAUSA-N 2 0 394.466 0.923 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423203032 1194739234 /nfs/dbraw/zinc/73/92/34/1194739234.db2.gz BTAZLBYDLGVIAZ-ROUUACIJSA-N 2 0 380.533 0.404 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423204258 1194739348 /nfs/dbraw/zinc/73/93/48/1194739348.db2.gz DGSSDAWNBLKLAB-SFHVURJKSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423203648 1194739410 /nfs/dbraw/zinc/73/94/10/1194739410.db2.gz CSEVIGWHOSKNNX-YRXWBPOGSA-N 2 0 393.576 0.447 20 0 GCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214541 1194740515 /nfs/dbraw/zinc/74/05/15/1194740515.db2.gz PCASWHUNRPNSIA-OTWHNJEPSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423214071 1194740558 /nfs/dbraw/zinc/74/05/58/1194740558.db2.gz OJNJXVSWAHAQLK-MBOZVWFJSA-N 2 0 379.549 0.201 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@H]1C[NH3+] ZINC000423217269 1194740762 /nfs/dbraw/zinc/74/07/62/1194740762.db2.gz PUESDTAFIIVPFZ-SJLPKXTDSA-N 2 0 380.533 0.391 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423291107 1194745145 /nfs/dbraw/zinc/74/51/45/1194745145.db2.gz GUPFZPKTFJGAFP-RBUKOAKNSA-N 2 0 388.512 0.509 20 0 GCADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423370747 1194751874 /nfs/dbraw/zinc/75/18/74/1194751874.db2.gz HCQNVKRRWGPQTP-IEBWSBKVSA-N 2 0 388.512 0.686 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000423376601 1194752066 /nfs/dbraw/zinc/75/20/66/1194752066.db2.gz JMVSRWLMAQRAAC-IKGGRYGDSA-N 2 0 379.549 0.057 20 0 GCADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000423388521 1194752704 /nfs/dbraw/zinc/75/27/04/1194752704.db2.gz MWURHCWUINYVRZ-MRXNPFEDSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000423394559 1194753378 /nfs/dbraw/zinc/75/33/78/1194753378.db2.gz ZXRJOUIGLLFVGH-QGZVFWFLSA-N 2 0 391.560 0.215 20 0 GCADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000423376722 1194753546 /nfs/dbraw/zinc/75/35/46/1194753546.db2.gz BDKFDAAWFMOTRU-ZIAGYGMSSA-N 3 0 380.455 0.734 20 0 GCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423424495 1194754384 /nfs/dbraw/zinc/75/43/84/1194754384.db2.gz FULIMGNWKWFLNP-SFHVURJKSA-N 2 0 382.549 0.922 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423409026 1194755065 /nfs/dbraw/zinc/75/50/65/1194755065.db2.gz BGDSZQXPFRZKSL-KRWDZBQOSA-N 2 0 393.536 0.481 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423443875 1194755750 /nfs/dbraw/zinc/75/57/50/1194755750.db2.gz KWKARJAKZALXAC-RTBURBONSA-N 2 0 394.560 0.651 20 0 GCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423442267 1194755813 /nfs/dbraw/zinc/75/58/13/1194755813.db2.gz JUJBEQPCNWNNAC-MJGOQNOKSA-N 2 0 394.560 0.923 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423446987 1194756141 /nfs/dbraw/zinc/75/61/41/1194756141.db2.gz OLPHPIGNCKOAAR-HXUWFJFHSA-N 2 0 382.549 0.781 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[C@H]1[NH3+] ZINC000423449309 1194756190 /nfs/dbraw/zinc/75/61/90/1194756190.db2.gz RJEHSQRVXQIEDX-FUHWJXTLSA-N 2 0 380.533 0.533 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423432898 1194756753 /nfs/dbraw/zinc/75/67/53/1194756753.db2.gz BUADTNKJLAEREJ-SJLPKXTDSA-N 2 0 382.549 0.779 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000423435270 1194757153 /nfs/dbraw/zinc/75/71/53/1194757153.db2.gz DNCWKUWTQWZQTD-MOPGFXCFSA-N 2 0 394.560 0.936 20 0 GCADRP C[C@@H]1CCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[C@@H]1C[NH3+] ZINC000423437535 1194757261 /nfs/dbraw/zinc/75/72/61/1194757261.db2.gz UHQGBDUZNBKHKW-SJORKVTESA-N 2 0 380.533 0.533 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1)CC1CC1 ZINC000423459894 1194757862 /nfs/dbraw/zinc/75/78/62/1194757862.db2.gz AEZJUTONHHBHJI-SFHVURJKSA-N 2 0 380.533 0.533 20 0 GCADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000423470587 1194758505 /nfs/dbraw/zinc/75/85/05/1194758505.db2.gz DBJPBHWKLZHONG-HXUWFJFHSA-N 2 0 376.501 0.783 20 0 GCADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423466988 1194758561 /nfs/dbraw/zinc/75/85/61/1194758561.db2.gz ABKXFHBFNBJYHQ-RTBURBONSA-N 2 0 388.512 0.543 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)CC1 ZINC000423503891 1194759931 /nfs/dbraw/zinc/75/99/31/1194759931.db2.gz FNJLKTGYXBYPLC-FQEVSTJZSA-N 2 0 379.549 0.201 20 0 GCADRP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000423506929 1194760018 /nfs/dbraw/zinc/76/00/18/1194760018.db2.gz JBGBAHRBPNKSKA-UHFFFAOYSA-N 2 0 393.576 0.461 20 0 GCADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423505654 1194760074 /nfs/dbraw/zinc/76/00/74/1194760074.db2.gz OQMCCCMQTCLYRD-LNLFQRSKSA-N 2 0 394.560 0.792 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)CC1 ZINC000423508224 1194760232 /nfs/dbraw/zinc/76/02/32/1194760232.db2.gz KKVCOUCULZODPG-UHFFFAOYSA-N 2 0 381.565 0.447 20 0 GCADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423494215 1194761123 /nfs/dbraw/zinc/76/11/23/1194761123.db2.gz ACEVVCKISUUGHN-LZJOCLMNSA-N 2 0 394.560 0.922 20 0 GCADRP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529119 1194761416 /nfs/dbraw/zinc/76/14/16/1194761416.db2.gz NXHHKHLZCJFOQD-WDSOQIARSA-N 2 0 393.576 0.602 20 0 GCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000423513713 1194762145 /nfs/dbraw/zinc/76/21/45/1194762145.db2.gz RVUBUCKIMSXQHR-LJQANCHMSA-N 2 0 395.592 0.835 20 0 GCADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1)CC(C)C ZINC000423516856 1194762314 /nfs/dbraw/zinc/76/23/14/1194762314.db2.gz HBYXHHPDRZWINK-GOSISDBHSA-N 2 0 382.549 0.779 20 0 GCADRP C[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523043 1194762627 /nfs/dbraw/zinc/76/26/27/1194762627.db2.gz MVTNZEJIROWCBW-DOTOQJQBSA-N 2 0 384.546 0.556 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423523283 1194762894 /nfs/dbraw/zinc/76/28/94/1194762894.db2.gz NDSUFENJLXFDHS-CALCHBBNSA-N 2 0 380.533 0.689 20 0 GCADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423523418 1194762988 /nfs/dbraw/zinc/76/29/88/1194762988.db2.gz NIGVAJVHXVGCGH-IRXDYDNUSA-N 2 0 382.549 0.922 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000423575773 1194769103 /nfs/dbraw/zinc/76/91/03/1194769103.db2.gz WTVNPDQAIOAWMO-HGHGUNKESA-N 2 0 388.512 0.278 20 0 GCADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423576792 1194769446 /nfs/dbraw/zinc/76/94/46/1194769446.db2.gz YWVQRALFNSZJIL-OAQYLSRUSA-N 2 0 390.528 0.525 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423586002 1194771031 /nfs/dbraw/zinc/77/10/31/1194771031.db2.gz APLQWYLSCZJLOE-GOSISDBHSA-N 2 0 382.549 0.923 20 0 GCADRP Cc1cc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)nc(C(C)C)n1 ZINC000423609058 1194772795 /nfs/dbraw/zinc/77/27/95/1194772795.db2.gz OKNXXKGRCYAYRK-MRXNPFEDSA-N 2 0 388.516 0.897 20 0 GCADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423593513 1194774550 /nfs/dbraw/zinc/77/45/50/1194774550.db2.gz MHYYIXAXMGYIDS-WIYYLYMNSA-N 2 0 388.512 0.292 20 0 GCADRP CO[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)[C@@H](C[NH3+])C1 ZINC000423628635 1194775375 /nfs/dbraw/zinc/77/53/75/1194775375.db2.gz AOJAIDOSNJXPAD-HZPDHXFCSA-N 2 0 380.489 0.525 20 0 GCADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423639246 1194776379 /nfs/dbraw/zinc/77/63/79/1194776379.db2.gz JFCYSNOYOMHJRW-UXHICEINSA-N 2 0 399.539 0.355 20 0 GCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423622292 1194777941 /nfs/dbraw/zinc/77/79/41/1194777941.db2.gz YUEXKHCNVURXBP-JZXOWHBKSA-N 2 0 380.533 0.545 20 0 GCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423649364 1194778563 /nfs/dbraw/zinc/77/85/63/1194778563.db2.gz JTJOGEWIGPPOLJ-FUHWJXTLSA-N 2 0 380.533 0.533 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423627762 1194778705 /nfs/dbraw/zinc/77/87/05/1194778705.db2.gz JAXUCAOLUXEKBJ-MSOLQXFVSA-N 2 0 387.528 0.476 20 0 GCADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423657102 1194780021 /nfs/dbraw/zinc/78/00/21/1194780021.db2.gz VJLVKUPRIYLOBF-DLBZAZTESA-N 2 0 382.549 0.792 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423656112 1194780072 /nfs/dbraw/zinc/78/00/72/1194780072.db2.gz TZLWLNPYDQCDQO-BMFAXAFESA-N 2 0 394.560 0.920 20 0 GCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423658197 1194780604 /nfs/dbraw/zinc/78/06/04/1194780604.db2.gz XIXBIAHZRLMSCB-CUSZFKRNSA-N 2 0 380.533 0.530 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000423667614 1194782056 /nfs/dbraw/zinc/78/20/56/1194782056.db2.gz UULIZSLFECINIK-IBGZPJMESA-N 2 0 393.576 0.604 20 0 GCADRP CCCN(C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423669189 1194782521 /nfs/dbraw/zinc/78/25/21/1194782521.db2.gz XRIPUEWQPWOPES-OTWHNJEPSA-N 2 0 393.576 0.604 20 0 GCADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423671118 1194782596 /nfs/dbraw/zinc/78/25/96/1194782596.db2.gz VUMDMCOXNAFMPV-UHFFFAOYSA-N 2 0 390.528 0.933 20 0 GCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000423694339 1194783599 /nfs/dbraw/zinc/78/35/99/1194783599.db2.gz ATEOUIZAGPCZRY-SFHVURJKSA-N 2 0 398.548 0.173 20 0 GCADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423678892 1194784799 /nfs/dbraw/zinc/78/47/99/1194784799.db2.gz RGAOZIIHKKJDEQ-SFHVURJKSA-N 2 0 381.565 0.319 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423683287 1194785745 /nfs/dbraw/zinc/78/57/45/1194785745.db2.gz HEWPFVXPSAIJKK-RYRKJORJSA-N 2 0 379.549 0.342 20 0 GCADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)c1 ZINC000423685280 1194785798 /nfs/dbraw/zinc/78/57/98/1194785798.db2.gz RVXJNRPWTFUOHA-HOCLYGCPSA-N 2 0 375.473 0.467 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000423716706 1194788262 /nfs/dbraw/zinc/78/82/62/1194788262.db2.gz IWFNLFJISAYOBA-KURKYZTESA-N 2 0 379.549 0.071 20 0 GCADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423718243 1194788389 /nfs/dbraw/zinc/78/83/89/1194788389.db2.gz KXEIIZOVENLZGR-IEBWSBKVSA-N 2 0 387.528 0.211 20 0 GCADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423722647 1194789150 /nfs/dbraw/zinc/78/91/50/1194789150.db2.gz GPCNDFNEHOZFDU-UXHICEINSA-N 2 0 399.539 0.083 20 0 GCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423725524 1194789609 /nfs/dbraw/zinc/78/96/09/1194789609.db2.gz HRPAPPLZXGMHLS-AKHDSKFASA-N 2 0 393.576 0.589 20 0 GCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423726318 1194789662 /nfs/dbraw/zinc/78/96/62/1194789662.db2.gz TZCFVJVXZHAPFO-QGZVFWFLSA-N 2 0 380.533 0.690 20 0 GCADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423727806 1194789974 /nfs/dbraw/zinc/78/99/74/1194789974.db2.gz KXYULZVLZCNIIB-FCGDIQPGSA-N 2 0 394.560 0.935 20 0 GCADRP COC(=O)c1cn(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000424020862 1194799280 /nfs/dbraw/zinc/79/92/80/1194799280.db2.gz QGUVFBBMDRGNSD-UHFFFAOYSA-N 2 0 386.456 0.174 20 0 GCADRP COCC(=O)N[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000424022415 1194799383 /nfs/dbraw/zinc/79/93/83/1194799383.db2.gz UADWQRSOMXSJNE-IBGZPJMESA-N 2 0 390.528 0.883 20 0 GCADRP CN(C)S(=O)(=O)CCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424023507 1194799536 /nfs/dbraw/zinc/79/95/36/1194799536.db2.gz WBDFGVSHJNZASB-UHFFFAOYSA-N 2 0 382.530 0.378 20 0 GCADRP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302010 1194808496 /nfs/dbraw/zinc/80/84/96/1194808496.db2.gz YRUJZBWTVCFXHB-CYBMUJFWSA-N 2 0 396.513 0.745 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424439671 1194811399 /nfs/dbraw/zinc/81/13/99/1194811399.db2.gz OLUGIHQMQFHXIQ-UHFFFAOYSA-N 2 0 375.517 0.926 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000424435285 1194812862 /nfs/dbraw/zinc/81/28/62/1194812862.db2.gz FFHLJGUXUZAYDN-UHFFFAOYSA-N 2 0 396.495 0.855 20 0 GCADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000424453223 1194815235 /nfs/dbraw/zinc/81/52/35/1194815235.db2.gz JVZUKUYHKZOZCS-KRWDZBQOSA-N 2 0 389.500 0.451 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424491868 1194816700 /nfs/dbraw/zinc/81/67/00/1194816700.db2.gz GEMDBZITHICROS-IAGOWNOFSA-N 2 0 394.560 0.528 20 0 GCADRP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424491134 1194816958 /nfs/dbraw/zinc/81/69/58/1194816958.db2.gz CESPPGFYOCVSPL-QGZVFWFLSA-N 2 0 379.549 0.073 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424491133 1194816997 /nfs/dbraw/zinc/81/69/97/1194816997.db2.gz CESPPGFYOCVSPL-KRWDZBQOSA-N 2 0 379.549 0.073 20 0 GCADRP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)CC[NH2+]CC2 ZINC000424495959 1194817705 /nfs/dbraw/zinc/81/77/05/1194817705.db2.gz RQTDIIKZGVYIRS-INIZCTEOSA-N 2 0 380.533 0.546 20 0 GCADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000424502449 1194818637 /nfs/dbraw/zinc/81/86/37/1194818637.db2.gz GQGCCSNAHCQVDC-REGYPHIPSA-N 2 0 390.532 0.300 20 0 GCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548229 1194823630 /nfs/dbraw/zinc/82/36/30/1194823630.db2.gz KXTAZWMGLDZONM-DTYCBIMDSA-N 2 0 390.532 0.156 20 0 GCADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552381 1194824259 /nfs/dbraw/zinc/82/42/59/1194824259.db2.gz YAACPUBZFZJFFC-DLBZAZTESA-N 2 0 378.521 0.254 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424553049 1194824473 /nfs/dbraw/zinc/82/44/73/1194824473.db2.gz QVPGVHOQQZXGDX-QGZVFWFLSA-N 2 0 394.560 0.983 20 0 GCADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CC(C)C ZINC000424553126 1194824587 /nfs/dbraw/zinc/82/45/87/1194824587.db2.gz RALXKCPEKLEPFL-FGTMMUONSA-N 2 0 392.548 0.546 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)N1CC[NH+](C)CC1 ZINC000424558484 1194824676 /nfs/dbraw/zinc/82/46/76/1194824676.db2.gz WRHYYCOWCMOWRH-QZTJIDSGSA-N 2 0 393.576 0.365 20 0 GCADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000549969959 1194826399 /nfs/dbraw/zinc/82/63/99/1194826399.db2.gz BDSHLXQDSIWHHI-IRXDYDNUSA-N 2 0 382.549 0.983 20 0 GCADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414813915 1194829501 /nfs/dbraw/zinc/82/95/01/1194829501.db2.gz UTJFVSOMCXQMIZ-UHFFFAOYSA-N 2 0 387.484 0.241 20 0 GCADRP C[NH+]1C[C@@H]2CCCN(C(=O)CSCC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000425059906 1194836885 /nfs/dbraw/zinc/83/68/85/1194836885.db2.gz SZOFTPDUXLAHKE-WNRNVDISSA-N 2 0 394.585 0.825 20 0 GCADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000414838021 1194837493 /nfs/dbraw/zinc/83/74/93/1194837493.db2.gz YAMFUVQPRHRTNE-MRXNPFEDSA-N 2 0 386.496 0.842 20 0 GCADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000513897377 1194840096 /nfs/dbraw/zinc/84/00/96/1194840096.db2.gz PRHPWNFECXGNFC-UHFFFAOYSA-N 2 0 395.592 0.711 20 0 GCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)[C@H]2C1 ZINC000652730829 1194865392 /nfs/dbraw/zinc/86/53/92/1194865392.db2.gz QZZAUOMRVWLFAM-FPSMNIFISA-N 2 0 378.517 0.284 20 0 GCADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000514622941 1194888816 /nfs/dbraw/zinc/88/88/16/1194888816.db2.gz ZJAHYORHPYMAFO-AEFFLSMTSA-N 2 0 394.560 0.671 20 0 GCADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccnc(OCC[NH+](C)C)c3)CC2)C1=O ZINC000425303946 1194902897 /nfs/dbraw/zinc/90/28/97/1194902897.db2.gz GDKISWLFKAJJDI-KRWDZBQOSA-N 2 0 389.500 0.447 20 0 GCADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1=O ZINC000425312811 1194907208 /nfs/dbraw/zinc/90/72/08/1194907208.db2.gz HEHKQAMRTBPZGK-SFHVURJKSA-N 2 0 376.501 0.657 20 0 GCADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C[NH+](C)C ZINC000514845138 1194918641 /nfs/dbraw/zinc/91/86/41/1194918641.db2.gz PDWWCEUSPMCKIP-UHFFFAOYSA-N 3 0 377.533 0.947 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000514852895 1194920903 /nfs/dbraw/zinc/92/09/03/1194920903.db2.gz OJUBSSWOFOQHHW-UHFFFAOYSA-N 2 0 395.592 0.711 20 0 GCADRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000435370189 1194925876 /nfs/dbraw/zinc/92/58/76/1194925876.db2.gz HQVDPEDBCHXVQK-ZDUSSCGKSA-N 2 0 398.891 0.500 20 0 GCADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652731236 1194925959 /nfs/dbraw/zinc/92/59/59/1194925959.db2.gz FGUMWRFBCXVMIJ-QXAKKESOSA-N 2 0 388.512 0.542 20 0 GCADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000284188364 1194946886 /nfs/dbraw/zinc/94/68/86/1194946886.db2.gz GZCIHPBPUHEEIP-RTBURBONSA-N 2 0 388.512 0.986 20 0 GCADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000515356874 1194970310 /nfs/dbraw/zinc/97/03/10/1194970310.db2.gz LKUQTMQRNZMHEB-HOTGVXAUSA-N 2 0 376.501 0.719 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000505731781 1194976965 /nfs/dbraw/zinc/97/69/65/1194976965.db2.gz QMIAUZVLXLVKAF-MRXNPFEDSA-N 2 0 381.521 0.535 20 0 GCADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000436129126 1194986833 /nfs/dbraw/zinc/98/68/33/1194986833.db2.gz VYYYEIDRBMQSDY-IRXDYDNUSA-N 2 0 397.564 0.416 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000505774096 1194990774 /nfs/dbraw/zinc/99/07/74/1194990774.db2.gz VBVGJUSZBRSMKZ-ROUUACIJSA-N 2 0 392.548 0.777 20 0 GCADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000436261524 1194994244 /nfs/dbraw/zinc/99/42/44/1194994244.db2.gz PCBLGQJBEVXXBM-HOTGVXAUSA-N 2 0 383.537 0.060 20 0 GCADRP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000515846082 1195001966 /nfs/dbraw/zinc/00/19/66/1195001966.db2.gz BRNNOHIBJFPRCI-LSDHHAIUSA-N 2 0 380.514 0.902 20 0 GCADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000288212551 1195052873 /nfs/dbraw/zinc/05/28/73/1195052873.db2.gz QHXHVJGIGHYQFW-UHFFFAOYSA-N 2 0 396.507 0.800 20 0 GCADRP C[NH+](C)CCn1ccc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000516488350 1195058164 /nfs/dbraw/zinc/05/81/64/1195058164.db2.gz CAQUZKMTIVXUJW-UHFFFAOYSA-N 2 0 384.528 0.992 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000549990926 1195106763 /nfs/dbraw/zinc/10/67/63/1195106763.db2.gz HNKLWJNPNWROHS-UHFFFAOYSA-N 2 0 382.549 0.935 20 0 GCADRP COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000414904513 1195108965 /nfs/dbraw/zinc/10/89/65/1195108965.db2.gz LXJBJUQYWCPUGG-CQSZACIVSA-N 2 0 392.456 0.058 20 0 GCADRP CN1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000517020099 1195125368 /nfs/dbraw/zinc/12/53/68/1195125368.db2.gz CLBMYCFKYVZLLT-QGZVFWFLSA-N 2 0 379.549 0.250 20 0 GCADRP COc1cc(C)c(CN2CCN(C(=O)CN(C)[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000517154962 1195144324 /nfs/dbraw/zinc/14/43/24/1195144324.db2.gz USMRJGXZEGMOOQ-SFHVURJKSA-N 2 0 390.528 0.950 20 0 GCADRP COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414913000 1195149617 /nfs/dbraw/zinc/14/96/17/1195149617.db2.gz ZFUSURSDFLTPFS-KGLIPLIRSA-N 2 0 376.457 0.741 20 0 GCADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000517395886 1195178569 /nfs/dbraw/zinc/17/85/69/1195178569.db2.gz UCMNRMUIXFLEOX-WOJBJXKFSA-N 2 0 399.539 0.273 20 0 GCADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@@H]1C ZINC000517526001 1195188536 /nfs/dbraw/zinc/18/85/36/1195188536.db2.gz CXBYRRFLIYISMG-IRXDYDNUSA-N 2 0 380.533 0.377 20 0 GCADRP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000517595977 1195194872 /nfs/dbraw/zinc/19/48/72/1195194872.db2.gz IMYUXYREHYXELH-ZWKOTPCHSA-N 2 0 381.565 0.224 20 0 GCADRP COC(=O)CCc1nnc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)s1 ZINC000438318827 1195206397 /nfs/dbraw/zinc/20/63/97/1195206397.db2.gz HGZKAYUKDZAIEA-UHFFFAOYSA-N 2 0 398.533 1.133 20 0 GCADRP CC(=O)N1CCN(CCOc2ccc(CC[NH2+]Cc3ncnn3C)cc2)CC1 ZINC000638507375 1195213855 /nfs/dbraw/zinc/21/38/55/1195213855.db2.gz DRHYLDIYTDMTEC-UHFFFAOYSA-N 2 0 386.500 0.690 20 0 GCADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@H](C(=O)NCC3([NH+](C)C)CCC3)O2)CCC1 ZINC000438540063 1195224939 /nfs/dbraw/zinc/22/49/39/1195224939.db2.gz YZKPKPNSOXHANT-HZPDHXFCSA-N 2 0 380.533 0.735 20 0 GCADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000517974517 1195233346 /nfs/dbraw/zinc/23/33/46/1195233346.db2.gz YNJNKHCPPVOAKU-RTBURBONSA-N 2 0 391.560 0.215 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn2c1OCCC2 ZINC000518022697 1195239273 /nfs/dbraw/zinc/23/92/73/1195239273.db2.gz JNYIKCLRWDGFJV-OAHLLOKOSA-N 2 0 385.534 0.702 20 0 GCADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000518140591 1195254024 /nfs/dbraw/zinc/25/40/24/1195254024.db2.gz CRDVOXFJTZKLPE-HUUCEWRRSA-N 2 0 393.454 0.186 20 0 GCADRP [NH3+]CC1CCC([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000518753879 1195326853 /nfs/dbraw/zinc/32/68/53/1195326853.db2.gz RSLZNLHYLXHIMP-UHFFFAOYSA-N 2 0 381.546 0.641 20 0 GCADRP C[C@@H]1C[NH+](CCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000518804800 1195333252 /nfs/dbraw/zinc/33/32/52/1195333252.db2.gz LXFWRTADAMWCSE-IAGOWNOFSA-N 2 0 397.564 0.728 20 0 GCADRP C[NH+]1CCC[C@@H]1CNC(=O)C1(CC(=O)NC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434371 1195335412 /nfs/dbraw/zinc/33/54/12/1195335412.db2.gz YEYOOPHIGMTGQN-IAGOWNOFSA-N 2 0 380.533 0.594 20 0 GCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000518950549 1195349379 /nfs/dbraw/zinc/34/93/79/1195349379.db2.gz SRFYBDSIPYOGAZ-IRXDYDNUSA-N 2 0 381.565 0.365 20 0 GCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000518950547 1195349493 /nfs/dbraw/zinc/34/94/93/1195349493.db2.gz SRFYBDSIPYOGAZ-DLBZAZTESA-N 2 0 381.565 0.365 20 0 GCADRP COc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000426548321 1195373737 /nfs/dbraw/zinc/37/37/37/1195373737.db2.gz MBWYOHUNBKCTNW-QBPKDAKJSA-N 2 0 387.532 0.801 20 0 GCADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426571259 1195384558 /nfs/dbraw/zinc/38/45/58/1195384558.db2.gz TYHVDKCEVVVILN-GUDVDZBRSA-N 2 0 382.549 0.756 20 0 GCADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000415009884 1195394662 /nfs/dbraw/zinc/39/46/62/1195394662.db2.gz ONEQUVYOKVDIJQ-RBUKOAKNSA-N 2 0 382.464 0.835 20 0 GCADRP CN1CCC([NH+]2CCC(NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000519353647 1195396018 /nfs/dbraw/zinc/39/60/18/1195396018.db2.gz UDNLEKHCBBDIFJ-SFHVURJKSA-N 2 0 394.564 0.184 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000550098502 1195434683 /nfs/dbraw/zinc/43/46/83/1195434683.db2.gz VFUFKPUUPIELAM-GOSISDBHSA-N 2 0 382.549 0.696 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000550095951 1195434874 /nfs/dbraw/zinc/43/48/74/1195434874.db2.gz JGWGFRAAQAAWOQ-QZTJIDSGSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000550098503 1195435020 /nfs/dbraw/zinc/43/50/20/1195435020.db2.gz VFUFKPUUPIELAM-SFHVURJKSA-N 2 0 382.549 0.696 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000550095329 1195435575 /nfs/dbraw/zinc/43/55/75/1195435575.db2.gz HMQWZXGFRRNCHW-ZWKOTPCHSA-N 2 0 382.549 0.698 20 0 GCADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)N1CCOCC1 ZINC000550275738 1195475055 /nfs/dbraw/zinc/47/50/55/1195475055.db2.gz DGIVUPUYSVDCOI-IRXDYDNUSA-N 2 0 382.549 0.696 20 0 GCADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC[NH+]2CCCC2)O1 ZINC000427067523 1195503202 /nfs/dbraw/zinc/50/32/02/1195503202.db2.gz PRQYJJPSQGSVIX-HDICACEKSA-N 2 0 380.533 0.642 20 0 GCADRP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000507397954 1195515950 /nfs/dbraw/zinc/51/59/50/1195515950.db2.gz BVRJKVKRNBEFMJ-HNNXBMFYSA-N 2 0 396.532 0.176 20 0 GCADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507388306 1195516726 /nfs/dbraw/zinc/51/67/26/1195516726.db2.gz WHHRLKUVZFPHNF-QGZVFWFLSA-N 2 0 396.532 0.320 20 0 GCADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC[N@@H+]3CCCC(C)(C)C3)n2)CC1 ZINC000427403644 1195533968 /nfs/dbraw/zinc/53/39/68/1195533968.db2.gz HHJIZSDSQHXFIR-UHFFFAOYSA-N 2 0 390.532 1.327 20 0 GCADRP C[C@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883775 1195551392 /nfs/dbraw/zinc/55/13/92/1195551392.db2.gz MUPDWNFYGLLBMW-DUQJVZAFSA-N 2 0 395.548 0.478 20 0 GCADRP CC(=O)Nc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000550303418 1195555815 /nfs/dbraw/zinc/55/58/15/1195555815.db2.gz DLBNXJFCLBICJF-UHFFFAOYSA-N 2 0 377.489 0.213 20 0 GCADRP CN1CCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519633201 1195560077 /nfs/dbraw/zinc/56/00/77/1195560077.db2.gz VQEISMHXCLESOE-VQTJNVASSA-N 2 0 388.560 0.650 20 0 GCADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000519634797 1195561147 /nfs/dbraw/zinc/56/11/47/1195561147.db2.gz CEJRCFYEDSAQSS-KSZLIROESA-N 2 0 390.528 0.347 20 0 GCADRP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000519695313 1195565326 /nfs/dbraw/zinc/56/53/26/1195565326.db2.gz JUCIGPDVKQRTPJ-SFHVURJKSA-N 2 0 379.549 0.962 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000519724751 1195565884 /nfs/dbraw/zinc/56/58/84/1195565884.db2.gz TUPBVBRBLKRIPN-LJQANCHMSA-N 2 0 393.576 0.461 20 0 GCADRP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000415592330 1195571019 /nfs/dbraw/zinc/57/10/19/1195571019.db2.gz BVIHLGHVVFPGCS-QGZVFWFLSA-N 2 0 378.473 0.532 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C[NH+]1CCCC1 ZINC000519839332 1195575566 /nfs/dbraw/zinc/57/55/66/1195575566.db2.gz KOMITELCVFEOIW-GOSISDBHSA-N 2 0 393.576 0.321 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C[NH+]1CCCC1 ZINC000519839334 1195575740 /nfs/dbraw/zinc/57/57/40/1195575740.db2.gz KOMITELCVFEOIW-SFHVURJKSA-N 2 0 393.576 0.321 20 0 GCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441018361 1195597338 /nfs/dbraw/zinc/59/73/38/1195597338.db2.gz FZAKEISVLCQANW-KRWDZBQOSA-N 2 0 396.580 0.254 20 0 GCADRP CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000441137391 1195605242 /nfs/dbraw/zinc/60/52/42/1195605242.db2.gz YFNLWRIRHCFJST-UHFFFAOYSA-N 2 0 396.532 0.367 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCCCC1 ZINC000520268454 1195615016 /nfs/dbraw/zinc/61/50/16/1195615016.db2.gz NISXIGNRYZATAV-GOSISDBHSA-N 2 0 394.560 0.986 20 0 GCADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCCCC3)C2)CC1 ZINC000550323394 1195627710 /nfs/dbraw/zinc/62/77/10/1195627710.db2.gz ZJKQRAILIKMVRV-SFHVURJKSA-N 2 0 393.576 0.606 20 0 GCADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000550352618 1195640563 /nfs/dbraw/zinc/64/05/63/1195640563.db2.gz IAUIVRWNBZYTDS-RBUKOAKNSA-N 2 0 390.528 0.975 20 0 GCADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000550352619 1195640708 /nfs/dbraw/zinc/64/07/08/1195640708.db2.gz IAUIVRWNBZYTDS-RTBURBONSA-N 2 0 390.528 0.975 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000889752946 1195641258 /nfs/dbraw/zinc/64/12/58/1195641258.db2.gz CHMUBXJMJKYXNL-UHFFFAOYSA-N 2 0 391.582 0.372 20 0 GCADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000550363421 1195644284 /nfs/dbraw/zinc/64/42/84/1195644284.db2.gz NGPQDQAALOUSTI-UHFFFAOYSA-N 2 0 382.549 0.936 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000550364308 1195644290 /nfs/dbraw/zinc/64/42/90/1195644290.db2.gz LOUPERITKHRGSN-ROUUACIJSA-N 2 0 382.549 0.840 20 0 GCADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000550364309 1195644456 /nfs/dbraw/zinc/64/44/56/1195644456.db2.gz LOUPERITKHRGSN-ZWKOTPCHSA-N 2 0 382.549 0.840 20 0 GCADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000550371461 1195646453 /nfs/dbraw/zinc/64/64/53/1195646453.db2.gz AMEAUHICAKDVIM-IBGZPJMESA-N 2 0 393.576 0.602 20 0 GCADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000550383410 1195651431 /nfs/dbraw/zinc/65/14/31/1195651431.db2.gz JBVYBVAZVBJIGM-GOSISDBHSA-N 2 0 381.565 0.319 20 0 GCADRP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976695 1195652612 /nfs/dbraw/zinc/65/26/12/1195652612.db2.gz SCGZUFIPUHNRIF-LSDHHAIUSA-N 2 0 380.514 0.984 20 0 GCADRP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CCCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000189455667 1195747490 /nfs/dbraw/zinc/74/74/90/1195747490.db2.gz WWUUCSJPTAIMHP-KDURUIRLSA-N 2 0 384.609 0.931 20 0 GCADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)c2)CC1 ZINC000132092867 1195762785 /nfs/dbraw/zinc/76/27/85/1195762785.db2.gz MQPCKDAXIKAYFW-IBGZPJMESA-N 2 0 387.528 0.361 20 0 GCADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c2)CC1 ZINC000441857555 1195924644 /nfs/dbraw/zinc/92/46/44/1195924644.db2.gz IHOKEHMWMFUAEA-UHFFFAOYSA-N 2 0 391.516 0.461 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474028090 1195932351 /nfs/dbraw/zinc/93/23/51/1195932351.db2.gz AZFKKETXBOAFMD-MRXNPFEDSA-N 2 0 383.537 0.108 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000520977262 1195948103 /nfs/dbraw/zinc/94/81/03/1195948103.db2.gz DJJGXYZPEUSWSB-QGZVFWFLSA-N 2 0 396.557 0.751 20 0 GCADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000521104108 1195962832 /nfs/dbraw/zinc/96/28/32/1195962832.db2.gz KZLSLSMDDOHASQ-ROUUACIJSA-N 2 0 382.549 0.671 20 0 GCADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000550457964 1195980461 /nfs/dbraw/zinc/98/04/61/1195980461.db2.gz JOMYTNANFOTWCX-IAGOWNOFSA-N 2 0 382.549 0.696 20 0 GCADRP C[NH+](CCCCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451152380 1195983614 /nfs/dbraw/zinc/98/36/14/1195983614.db2.gz YOUNMVKSMWLQKC-CGXNFDGLSA-N 2 0 380.577 0.967 20 0 GCADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000521392875 1195994392 /nfs/dbraw/zinc/99/43/92/1195994392.db2.gz HXAJPSCCVDURAX-ZIFCJYIRSA-N 2 0 392.544 0.641 20 0 GCADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000521609683 1196006992 /nfs/dbraw/zinc/00/69/92/1196006992.db2.gz BHNXCNMNDUOYMC-OTWHNJEPSA-N 2 0 392.544 0.818 20 0 GCADRP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065483 1196017868 /nfs/dbraw/zinc/01/78/68/1196017868.db2.gz ZXBHPTJBYJFCOA-UONOGXRCSA-N 2 0 380.514 0.672 20 0 GCADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000443069848 1196018004 /nfs/dbraw/zinc/01/80/04/1196018004.db2.gz KQHNMSNUNQLWEQ-QGZVFWFLSA-N 2 0 394.541 0.580 20 0 GCADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000443055782 1196018142 /nfs/dbraw/zinc/01/81/42/1196018142.db2.gz BSLOQNGHQQZLPD-AWEZNQCLSA-N 2 0 398.529 0.945 20 0 GCADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000521993147 1196032960 /nfs/dbraw/zinc/03/29/60/1196032960.db2.gz JTCSLXARDKYTLG-SFHVURJKSA-N 2 0 379.549 0.071 20 0 GCADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000522016556 1196036281 /nfs/dbraw/zinc/03/62/81/1196036281.db2.gz AWVJRNGFPUXIOQ-UHFFFAOYSA-N 2 0 395.592 0.946 20 0 GCADRP CN1C(=O)c2ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2C1=O ZINC000522134951 1196045646 /nfs/dbraw/zinc/04/56/46/1196045646.db2.gz YYYRACZMDOZKJC-UHFFFAOYSA-N 2 0 382.486 0.026 20 0 GCADRP NS(=O)(=O)c1cccnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522180973 1196055252 /nfs/dbraw/zinc/05/52/52/1196055252.db2.gz WXCSLUXTSQWQMV-UHFFFAOYSA-N 2 0 376.486 0.748 20 0 GCADRP CC(C)C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)N1CCOCC1 ZINC000550489930 1196055681 /nfs/dbraw/zinc/05/56/81/1196055681.db2.gz SNJRIBWRTVZCDC-SFHVURJKSA-N 2 0 382.549 0.842 20 0 GCADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550502048 1196059838 /nfs/dbraw/zinc/05/98/38/1196059838.db2.gz HQNRQGPMXIERAZ-UHFFFAOYSA-N 2 0 382.549 0.984 20 0 GCADRP C[C@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000443516405 1196064186 /nfs/dbraw/zinc/06/41/86/1196064186.db2.gz MUZIGNQIBVURAB-IRXDYDNUSA-N 2 0 382.549 0.792 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnnn1CC1CC1 ZINC000474089830 1196070847 /nfs/dbraw/zinc/07/08/47/1196070847.db2.gz QIUNXLYNRLUWJR-INIZCTEOSA-N 2 0 378.525 0.641 20 0 GCADRP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000895297328 1196078972 /nfs/dbraw/zinc/07/89/72/1196078972.db2.gz CDWPQQJZAXHAGA-QZTJIDSGSA-N 2 0 396.532 0.108 20 0 GCADRP C[C@@H](CCS(C)(=O)=O)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000474237631 1196102290 /nfs/dbraw/zinc/10/22/90/1196102290.db2.gz JNALVUNXEZGUSY-INIZCTEOSA-N 2 0 397.545 0.716 20 0 GCADRP CN1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC[N@H+](C)CC1 ZINC000895639891 1196105627 /nfs/dbraw/zinc/10/56/27/1196105627.db2.gz IGBXPNNLQTWKFZ-UHFFFAOYSA-N 2 0 381.565 0.766 20 0 GCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000114595987 1196106301 /nfs/dbraw/zinc/10/63/01/1196106301.db2.gz MOJNORXRVMXHKD-LJQANCHMSA-N 2 0 383.581 0.796 20 0 GCADRP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000895739756 1196110302 /nfs/dbraw/zinc/11/03/02/1196110302.db2.gz JAKURJGWCNLSQU-KBUPBQIOSA-N 2 0 378.525 0.939 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2C[NH+](C3CCOCC3)C2)c1 ZINC000896121398 1196127826 /nfs/dbraw/zinc/12/78/26/1196127826.db2.gz FVWRMUSNINUZBH-UHFFFAOYSA-N 2 0 388.512 0.705 20 0 GCADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)CC1 ZINC001087969332 1196140231 /nfs/dbraw/zinc/14/02/31/1196140231.db2.gz OPWQXGHQDIUHQL-WCIQWLHISA-N 2 0 379.545 0.896 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4nc(N(C)C)no4)C[C@H]3C2)CC[N@@H+]1C ZINC001087971708 1196142439 /nfs/dbraw/zinc/14/24/39/1196142439.db2.gz OTFLHNJWUMSEJB-LVQVYYBASA-N 2 0 376.505 0.756 20 0 GCADRP C[NH+]1CCC2(CCN2C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000896468948 1196149400 /nfs/dbraw/zinc/14/94/00/1196149400.db2.gz UFOPRNJHETUFCN-SFHVURJKSA-N 2 0 379.549 0.663 20 0 GCADRP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@H+](C)CCN1C ZINC000896532513 1196153563 /nfs/dbraw/zinc/15/35/63/1196153563.db2.gz LRBYLTZFIDFGFS-RDTXWAMCSA-N 2 0 388.516 0.668 20 0 GCADRP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCN1C ZINC000896533263 1196153846 /nfs/dbraw/zinc/15/38/46/1196153846.db2.gz HASWWWDCXSWLFA-ARFHVFGLSA-N 2 0 385.553 0.582 20 0 GCADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000329140082 1196167729 /nfs/dbraw/zinc/16/77/29/1196167729.db2.gz JFFQGPQXSNTAKG-GOSISDBHSA-N 2 0 381.517 0.316 20 0 GCADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896624467 1196183587 /nfs/dbraw/zinc/18/35/87/1196183587.db2.gz OMTXEPZVIQGHTM-IBGZPJMESA-N 2 0 392.544 0.548 20 0 GCADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461501 1196187919 /nfs/dbraw/zinc/18/79/19/1196187919.db2.gz PAIMYLHQBNVFFA-IAGOWNOFSA-N 2 0 382.549 0.974 20 0 GCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670984116 1196365664 /nfs/dbraw/zinc/36/56/64/1196365664.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H]1Cc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2N1S(C)(=O)=O ZINC000103211390 1196374863 /nfs/dbraw/zinc/37/48/63/1196374863.db2.gz RGFAIIIOBCOGIL-HNNXBMFYSA-N 2 0 396.557 0.963 20 0 GCADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)(N2CCOCC2)CC1 ZINC000665719766 1196449454 /nfs/dbraw/zinc/44/94/54/1196449454.db2.gz SAJABJKGGBERJE-GOSISDBHSA-N 2 0 379.549 0.567 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(-n2ccnc2)nn1 ZINC000523503037 1196530814 /nfs/dbraw/zinc/53/08/14/1196530814.db2.gz KZPQTZOUYVSWTN-UHFFFAOYSA-N 2 0 392.467 0.999 20 0 GCADRP CC1(C)CCC[N@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000444967591 1196533255 /nfs/dbraw/zinc/53/32/55/1196533255.db2.gz ASFQJMXJIPVRPL-UHFFFAOYSA-N 2 0 383.581 0.798 20 0 GCADRP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000523741020 1196555763 /nfs/dbraw/zinc/55/57/63/1196555763.db2.gz RQMFFUCOKIQKES-QZTJIDSGSA-N 2 0 382.549 0.603 20 0 GCADRP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000445550911 1196579293 /nfs/dbraw/zinc/57/92/93/1196579293.db2.gz QUZASAOJEBIFLD-QGZVFWFLSA-N 2 0 389.544 0.871 20 0 GCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COC1CC[NH+](C)CC1 ZINC001719903623 1196580448 /nfs/dbraw/zinc/58/04/48/1196580448.db2.gz BCBJFPLWZNKYDG-NXHRZFHOSA-N 2 0 380.533 0.686 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000524563889 1196605657 /nfs/dbraw/zinc/60/56/57/1196605657.db2.gz MTERLMRAWLGDLE-IRXDYDNUSA-N 2 0 395.548 0.374 20 0 GCADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446054591 1196610555 /nfs/dbraw/zinc/61/05/55/1196610555.db2.gz PSKWYQRAQKLVBT-SFHVURJKSA-N 2 0 390.528 0.938 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000524780256 1196624302 /nfs/dbraw/zinc/62/43/02/1196624302.db2.gz WGBVCZZZOMHHBV-IAGOWNOFSA-N 2 0 388.516 0.902 20 0 GCADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446368044 1196638654 /nfs/dbraw/zinc/63/86/54/1196638654.db2.gz BWWUUIDKTBWFNT-XAUMDUMWSA-N 2 0 380.533 0.578 20 0 GCADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000446559301 1196648892 /nfs/dbraw/zinc/64/88/92/1196648892.db2.gz VQUYLDVGJUCFGW-UHFFFAOYSA-N 2 0 391.516 0.500 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000525452002 1196682960 /nfs/dbraw/zinc/68/29/60/1196682960.db2.gz HXGZOWGCEQHLBQ-SFHVURJKSA-N 2 0 387.594 0.329 20 0 GCADRP COCCO[C@H]1C[C@H](CO)CN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000447065476 1196691112 /nfs/dbraw/zinc/69/11/12/1196691112.db2.gz ANZWWYJMHUZXRM-WMZOPIPTSA-N 2 0 379.505 0.074 20 0 GCADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1ccccc1 ZINC000429714699 1196692547 /nfs/dbraw/zinc/69/25/47/1196692547.db2.gz HCGKZHPMNBBYSD-FGTMMUONSA-N 2 0 396.557 0.856 20 0 GCADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000525684498 1196699854 /nfs/dbraw/zinc/69/98/54/1196699854.db2.gz UFDAKFOXFMEOBD-FGTMMUONSA-N 2 0 379.549 0.199 20 0 GCADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000447436100 1196722253 /nfs/dbraw/zinc/72/22/53/1196722253.db2.gz UDNNFAJKDGQXSK-CVEARBPZSA-N 2 0 393.557 0.800 20 0 GCADRP CCNC(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000526131820 1196743929 /nfs/dbraw/zinc/74/39/29/1196743929.db2.gz WSOCSBXNCCBYHY-UHFFFAOYSA-N 2 0 377.489 0.327 20 0 GCADRP CCC(=O)Nc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000526131933 1196744026 /nfs/dbraw/zinc/74/40/26/1196744026.db2.gz IWCGIFSWKHPRCG-UHFFFAOYSA-N 2 0 377.489 0.925 20 0 GCADRP CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526131899 1196744279 /nfs/dbraw/zinc/74/42/79/1196744279.db2.gz VRXUYIVWUAHLBJ-UHFFFAOYSA-N 2 0 389.500 0.486 20 0 GCADRP Cc1nnc(-c2ccccc2NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000527124267 1196767236 /nfs/dbraw/zinc/76/72/36/1196767236.db2.gz OWNUEXYSOFZSAY-UHFFFAOYSA-N 2 0 388.472 0.935 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000527374021 1196784196 /nfs/dbraw/zinc/78/41/96/1196784196.db2.gz YEAUVSFNCLXNEJ-UHFFFAOYSA-N 2 0 375.473 0.462 20 0 GCADRP COC(=O)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000527373737 1196784239 /nfs/dbraw/zinc/78/42/39/1196784239.db2.gz BHWXNQJBNUUTJS-UHFFFAOYSA-N 2 0 382.436 0.503 20 0 GCADRP CN1CCOc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000527374075 1196784310 /nfs/dbraw/zinc/78/43/10/1196784310.db2.gz VLVXDLCTOVOUNJ-UHFFFAOYSA-N 2 0 377.489 0.406 20 0 GCADRP CNS(=O)(=O)c1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C ZINC000527376709 1196784752 /nfs/dbraw/zinc/78/47/52/1196784752.db2.gz NHBHQAMBQVJALB-UHFFFAOYSA-N 2 0 385.534 0.860 20 0 GCADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000528451999 1196860279 /nfs/dbraw/zinc/86/02/79/1196860279.db2.gz QAJVSWHUSMYKKD-YZLZLFLDSA-N 2 0 394.560 0.743 20 0 GCADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000528598748 1196869742 /nfs/dbraw/zinc/86/97/42/1196869742.db2.gz LTXWMAGYPISFEM-OALUTQOASA-N 2 0 375.513 0.608 20 0 GCADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC000528603868 1196870739 /nfs/dbraw/zinc/87/07/39/1196870739.db2.gz MPOLERAFCMNKEU-PMACEKPBSA-N 2 0 375.513 0.562 20 0 GCADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000529382211 1196918950 /nfs/dbraw/zinc/91/89/50/1196918950.db2.gz CKVUWLCAUXANIZ-UXHICEINSA-N 2 0 387.528 0.577 20 0 GCADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(C)([NH+]3CCOCC3)CC1)C2=O ZINC000530103420 1196962347 /nfs/dbraw/zinc/96/23/47/1196962347.db2.gz GUDSTUPPGFFQRO-UHFFFAOYSA-N 2 0 379.505 0.147 20 0 GCADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000451087846 1196969417 /nfs/dbraw/zinc/96/94/17/1196969417.db2.gz VLYHZZKTPWTFFJ-NSISKUIASA-N 2 0 382.593 0.681 20 0 GCADRP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000530567125 1196996878 /nfs/dbraw/zinc/99/68/78/1196996878.db2.gz ALBLISOZMVTDLW-OAHLLOKOSA-N 2 0 389.500 0.973 20 0 GCADRP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000530806700 1197017469 /nfs/dbraw/zinc/01/74/69/1197017469.db2.gz HUNIGMLWPKLPTN-KRWDZBQOSA-N 2 0 387.528 0.831 20 0 GCADRP CCC1CCC2(CC1)NC(=O)N(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2=O ZINC000530879950 1197022655 /nfs/dbraw/zinc/02/26/55/1197022655.db2.gz PDPAPHAQVDEWPX-UHFFFAOYSA-N 2 0 395.548 0.829 20 0 GCADRP COC[C@]1(CO)CC[N@H+](CC(=O)N2CCN(Cc3ccccc3C)CC2)C1 ZINC000451924157 1197025998 /nfs/dbraw/zinc/02/59/98/1197025998.db2.gz IHTCGJOAOXUVPV-OAQYLSRUSA-N 2 0 375.513 0.970 20 0 GCADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451990145 1197030303 /nfs/dbraw/zinc/03/03/03/1197030303.db2.gz RBCZANTVXGRKKS-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 ZINC000451977061 1197030918 /nfs/dbraw/zinc/03/09/18/1197030918.db2.gz CKBXVOUWFUDKBJ-LJQANCHMSA-N 2 0 389.544 0.596 20 0 GCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000451995465 1197032572 /nfs/dbraw/zinc/03/25/72/1197032572.db2.gz WZSDZHIFWJXQDQ-KRWDZBQOSA-N 2 0 390.528 0.948 20 0 GCADRP CCS(=O)(=O)NCc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000531119063 1197047628 /nfs/dbraw/zinc/04/76/28/1197047628.db2.gz YGBMSEQLTMYVEA-UHFFFAOYSA-N 2 0 384.546 0.691 20 0 GCADRP Cc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531190498 1197051778 /nfs/dbraw/zinc/05/17/78/1197051778.db2.gz AQKCTBKPLCNWGL-HNNXBMFYSA-N 2 0 376.505 0.807 20 0 GCADRP COc1ccccc1N1CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000531545168 1197083727 /nfs/dbraw/zinc/08/37/27/1197083727.db2.gz WISPMYUWSKPCDH-INIZCTEOSA-N 2 0 391.516 0.935 20 0 GCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000428511631 1197152348 /nfs/dbraw/zinc/15/23/48/1197152348.db2.gz SUTVBLXIQJXMEV-ZWKOTPCHSA-N 2 0 382.549 0.936 20 0 GCADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000532375506 1197162560 /nfs/dbraw/zinc/16/25/60/1197162560.db2.gz XQUFQKBABUSFNX-NRFANRHFSA-N 2 0 375.513 0.975 20 0 GCADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176410871 1197186982 /nfs/dbraw/zinc/18/69/82/1197186982.db2.gz RYXPNJVPISLEDJ-SFHVURJKSA-N 2 0 381.565 0.766 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000177149419 1197188629 /nfs/dbraw/zinc/18/86/29/1197188629.db2.gz ZOUPCOHWKQAMNO-IEBWSBKVSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000186121650 1197226717 /nfs/dbraw/zinc/22/67/17/1197226717.db2.gz SSRVHSDLWLRGDE-GOSISDBHSA-N 2 0 381.565 0.766 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170844703 1197271951 /nfs/dbraw/zinc/27/19/51/1197271951.db2.gz GIYROHJNCVMERW-LJQANCHMSA-N 2 0 387.528 0.925 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000170844701 1197272042 /nfs/dbraw/zinc/27/20/42/1197272042.db2.gz GIYROHJNCVMERW-IBGZPJMESA-N 2 0 387.528 0.925 20 0 GCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000988317866 1197307822 /nfs/dbraw/zinc/30/78/22/1197307822.db2.gz ANSJKEYINQLXHF-AHCXZYCDSA-N 2 0 390.532 0.504 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCOC)CC2)CC1=O ZINC000105328851 1197326570 /nfs/dbraw/zinc/32/65/70/1197326570.db2.gz AQFQERTVXCFOLT-SJLPKXTDSA-N 2 0 380.533 0.546 20 0 GCADRP O=C(COCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000105599931 1197326619 /nfs/dbraw/zinc/32/66/19/1197326619.db2.gz XQVJHUUCXKOIBF-QZTJIDSGSA-N 2 0 378.517 0.396 20 0 GCADRP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532568179 1197329877 /nfs/dbraw/zinc/32/98/77/1197329877.db2.gz NNXZKZGLTRDGHO-HKUYNNGSSA-N 2 0 394.560 0.887 20 0 GCADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729620303 1197355134 /nfs/dbraw/zinc/35/51/34/1197355134.db2.gz QCJNDSNEJCDZCB-MOPGFXCFSA-N 2 0 380.533 0.994 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000532655877 1197360850 /nfs/dbraw/zinc/36/08/50/1197360850.db2.gz KADRVKLDDKCBOB-FQEVSTJZSA-N 2 0 395.548 0.829 20 0 GCADRP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000666670391 1197362633 /nfs/dbraw/zinc/36/26/33/1197362633.db2.gz QYBSEVWMSHRLQN-QGZVFWFLSA-N 2 0 386.496 0.984 20 0 GCADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCN1c1cc[nH+]cc1 ZINC000897474833 1197365607 /nfs/dbraw/zinc/36/56/07/1197365607.db2.gz CMJVLLCOWAUFEM-BEFAXECRSA-N 2 0 391.541 0.672 20 0 GCADRP COc1ccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]2CCCCC2)cc1 ZINC000418840895 1197368157 /nfs/dbraw/zinc/36/81/57/1197368157.db2.gz YJXBTGQQLSZXHS-GOSISDBHSA-N 2 0 392.500 0.118 20 0 GCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418878952 1197390660 /nfs/dbraw/zinc/39/06/60/1197390660.db2.gz MOYXNOLSOBDHLL-SNRMKQJTSA-N 2 0 388.512 0.598 20 0 GCADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897485064 1197393934 /nfs/dbraw/zinc/39/39/34/1197393934.db2.gz BYIJQJCDTFANSG-INIZCTEOSA-N 2 0 377.489 0.203 20 0 GCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000141481214 1197396099 /nfs/dbraw/zinc/39/60/99/1197396099.db2.gz WQIPHCWLYFOQOD-SJLPKXTDSA-N 2 0 377.533 0.951 20 0 GCADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000193619972 1197396978 /nfs/dbraw/zinc/39/69/78/1197396978.db2.gz PRJJQPIYFKXEMG-UONOGXRCSA-N 2 0 378.439 0.928 20 0 GCADRP COCC[NH2+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237168265 1197401266 /nfs/dbraw/zinc/40/12/66/1197401266.db2.gz YFZVRXCXPHYWKJ-SFHVURJKSA-N 2 0 375.517 0.678 20 0 GCADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419349999 1197417585 /nfs/dbraw/zinc/41/75/85/1197417585.db2.gz YYJQEDRZZOKMIU-LJQANCHMSA-N 2 0 387.528 0.294 20 0 GCADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000419515851 1197421142 /nfs/dbraw/zinc/42/11/42/1197421142.db2.gz SIEVNVYZQJYRAF-SFHVURJKSA-N 2 0 389.544 0.595 20 0 GCADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000419508176 1197421164 /nfs/dbraw/zinc/42/11/64/1197421164.db2.gz QNZCBUDXKPGHBC-INIZCTEOSA-N 2 0 392.500 0.080 20 0 GCADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)CC1 ZINC000532918858 1197421714 /nfs/dbraw/zinc/42/17/14/1197421714.db2.gz IFZIRZCIMZTOOB-GOSISDBHSA-N 2 0 393.576 0.414 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420177123 1197436961 /nfs/dbraw/zinc/43/69/61/1197436961.db2.gz RNEJPNKEWLPTRL-SJORKVTESA-N 2 0 382.549 0.840 20 0 GCADRP C[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000074655934 1197472306 /nfs/dbraw/zinc/47/23/06/1197472306.db2.gz GDFGAWLUJASSIE-GOSISDBHSA-N 2 0 381.565 0.624 20 0 GCADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000246681449 1197473284 /nfs/dbraw/zinc/47/32/84/1197473284.db2.gz HEZABBMBYWVDSA-GUDVDZBRSA-N 2 0 394.560 0.888 20 0 GCADRP O[C@H](C[NH+]1CCC[C@@H](Cn2ccnn2)C1)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000248740987 1197480209 /nfs/dbraw/zinc/48/02/09/1197480209.db2.gz PSCFWVKWTJFNSP-REPLKXPHSA-N 2 0 388.520 0.355 20 0 GCADRP CC(C)[C@H](C(=O)NCCN1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1)[NH+](C)C ZINC000614909060 1197486621 /nfs/dbraw/zinc/48/66/21/1197486621.db2.gz OOXZNGDMSDUVHU-MSOLQXFVSA-N 2 0 383.581 0.419 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000666796332 1197504932 /nfs/dbraw/zinc/50/49/32/1197504932.db2.gz XMFVNPLBQCLXAO-KRWDZBQOSA-N 2 0 385.512 0.509 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(COC)CC[NH2+]CC2)CC1=O ZINC000261724282 1197512556 /nfs/dbraw/zinc/51/25/56/1197512556.db2.gz LYZWRHQUNZUXCK-IAGOWNOFSA-N 2 0 380.533 0.452 20 0 GCADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261758431 1197513452 /nfs/dbraw/zinc/51/34/52/1197513452.db2.gz FUMRJTYVAJNQHU-WMZOPIPTSA-N 3 0 379.549 0.167 20 0 GCADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767929 1197514308 /nfs/dbraw/zinc/51/43/08/1197514308.db2.gz GJFKVCWXCMSTNQ-OKZBNKHCSA-N 2 0 379.549 0.119 20 0 GCADRP C[NH2+]CCC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261982181 1197521483 /nfs/dbraw/zinc/52/14/83/1197521483.db2.gz ILJGGJXCNBPAJT-UHFFFAOYSA-N 2 0 382.530 0.314 20 0 GCADRP C[NH2+]CCC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000262017517 1197522548 /nfs/dbraw/zinc/52/25/48/1197522548.db2.gz WUHABMKXDRWBAO-CQSZACIVSA-N 2 0 394.541 0.933 20 0 GCADRP C[NH+](C)CCOc1cccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1 ZINC000262425524 1197531147 /nfs/dbraw/zinc/53/11/47/1197531147.db2.gz SFUADRGTDHQPRR-UHFFFAOYSA-N 2 0 383.514 0.410 20 0 GCADRP [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000666822234 1197535961 /nfs/dbraw/zinc/53/59/61/1197535961.db2.gz NWQODLOFEWFALN-NRFANRHFSA-N 2 0 382.464 0.837 20 0 GCADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000672003501 1198999254 /nfs/dbraw/zinc/99/92/54/1198999254.db2.gz LAYAPPGDRVNEGL-UHFFFAOYSA-N 2 0 390.528 0.724 20 0 GCADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013160 1199006454 /nfs/dbraw/zinc/00/64/54/1199006454.db2.gz YYUZMWAQZNARQX-HOTGVXAUSA-N 2 0 382.549 0.384 20 0 GCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000542745769 1199020887 /nfs/dbraw/zinc/02/08/87/1199020887.db2.gz ZKPNZNWRZGAJBJ-GOSISDBHSA-N 2 0 383.581 0.748 20 0 GCADRP C[C@@H](CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000465825910 1199077956 /nfs/dbraw/zinc/07/79/56/1199077956.db2.gz JRAILTHRYSKODP-SFHVURJKSA-N 2 0 394.608 0.728 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cnccn1 ZINC000465839570 1199081154 /nfs/dbraw/zinc/08/11/54/1199081154.db2.gz POYAHIGLCWSFFK-INIZCTEOSA-N 2 0 391.520 0.264 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000656071163 1199088275 /nfs/dbraw/zinc/08/82/75/1199088275.db2.gz OWMMZXVMVAEEMG-SFHVURJKSA-N 2 0 393.576 0.558 20 0 GCADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000656104104 1199106288 /nfs/dbraw/zinc/10/62/88/1199106288.db2.gz HJDILDIXTLUWQG-INIZCTEOSA-N 2 0 395.548 0.165 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000672111576 1199108536 /nfs/dbraw/zinc/10/85/36/1199108536.db2.gz BOZADHBBGAZZFB-IRXDYDNUSA-N 2 0 395.548 0.034 20 0 GCADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000627302300 1199115411 /nfs/dbraw/zinc/11/54/11/1199115411.db2.gz HIKNANVNKRAPEQ-KBPBESRZSA-N 2 0 378.439 0.820 20 0 GCADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672165782 1199150692 /nfs/dbraw/zinc/15/06/92/1199150692.db2.gz APBIGDVDPNDLCB-UHFFFAOYSA-N 2 0 389.500 0.347 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672204399 1199159630 /nfs/dbraw/zinc/15/96/30/1199159630.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 2 0 379.549 0.262 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206935 1199160310 /nfs/dbraw/zinc/16/03/10/1199160310.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 2 0 379.549 0.212 20 0 GCADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656312115 1199167535 /nfs/dbraw/zinc/16/75/35/1199167535.db2.gz SKQAUXPDZAYVBA-ROUUACIJSA-N 2 0 392.544 0.881 20 0 GCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000265777151 1199169912 /nfs/dbraw/zinc/16/99/12/1199169912.db2.gz UPIGQCSTNZXSGR-ZWKOTPCHSA-N 2 0 375.517 0.798 20 0 GCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465921766 1199179571 /nfs/dbraw/zinc/17/95/71/1199179571.db2.gz AECDXLGCWFTROO-IBGZPJMESA-N 2 0 383.581 0.892 20 0 GCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465926060 1199183136 /nfs/dbraw/zinc/18/31/36/1199183136.db2.gz HFSBOLYQNNQZFL-MOPGFXCFSA-N 2 0 381.565 0.645 20 0 GCADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465927853 1199185492 /nfs/dbraw/zinc/18/54/92/1199185492.db2.gz QEJRCGUIUADWTG-FQEVSTJZSA-N 2 0 395.592 0.940 20 0 GCADRP C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656367259 1199194481 /nfs/dbraw/zinc/19/44/81/1199194481.db2.gz MPYYSUKSDAHBHZ-QFBILLFUSA-N 2 0 386.500 0.881 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000672308259 1199198693 /nfs/dbraw/zinc/19/86/93/1199198693.db2.gz GWKGEZIUVMRBFW-ZWKOTPCHSA-N 2 0 378.517 0.158 20 0 GCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000672311831 1199202264 /nfs/dbraw/zinc/20/22/64/1199202264.db2.gz MWOCUXMIYDZXOD-SFHVURJKSA-N 2 0 378.517 0.158 20 0 GCADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672311917 1199202585 /nfs/dbraw/zinc/20/25/85/1199202585.db2.gz VQLIDFVXQJWAQE-GOSISDBHSA-N 2 0 380.533 0.593 20 0 GCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000672311830 1199203209 /nfs/dbraw/zinc/20/32/09/1199203209.db2.gz MWOCUXMIYDZXOD-GOSISDBHSA-N 2 0 378.517 0.158 20 0 GCADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310469 1199203371 /nfs/dbraw/zinc/20/33/71/1199203371.db2.gz VNMFJUGYTCYKDP-DOTOQJQBSA-N 2 0 378.517 0.299 20 0 GCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@@H]2C1 ZINC000672313429 1199204829 /nfs/dbraw/zinc/20/48/29/1199204829.db2.gz BLBUMUIGBODMKI-DLBZAZTESA-N 2 0 378.517 0.300 20 0 GCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313122 1199205895 /nfs/dbraw/zinc/20/58/95/1199205895.db2.gz LCKIHTDUKKLGIF-ZWKOTPCHSA-N 2 0 392.544 0.690 20 0 GCADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000465952340 1199217948 /nfs/dbraw/zinc/21/79/48/1199217948.db2.gz OJMPMUNLGJJFFS-GOSISDBHSA-N 2 0 395.548 0.328 20 0 GCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638513 1199288686 /nfs/dbraw/zinc/28/86/86/1199288686.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 2 0 393.576 0.365 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638228 1199290534 /nfs/dbraw/zinc/29/05/34/1199290534.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 2 0 393.576 0.652 20 0 GCADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640473 1199294070 /nfs/dbraw/zinc/29/40/70/1199294070.db2.gz JHTSYPCHRHCLDP-GOSISDBHSA-N 2 0 395.592 0.852 20 0 GCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640206 1199296620 /nfs/dbraw/zinc/29/66/20/1199296620.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 2 0 393.576 0.461 20 0 GCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640633 1199297460 /nfs/dbraw/zinc/29/74/60/1199297460.db2.gz DYUADZDRMYOXQB-SJLPKXTDSA-N 2 0 393.576 0.460 20 0 GCADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000672640978 1199298459 /nfs/dbraw/zinc/29/84/59/1199298459.db2.gz HXJLNVHYIGFGFA-WMZOPIPTSA-N 2 0 395.592 0.754 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672655521 1199310278 /nfs/dbraw/zinc/31/02/78/1199310278.db2.gz AMHZSXZLHLACHS-MOPGFXCFSA-N 2 0 393.576 0.606 20 0 GCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672655600 1199310548 /nfs/dbraw/zinc/31/05/48/1199310548.db2.gz MDDKRYVDYARNBS-LJQANCHMSA-N 2 0 394.560 0.938 20 0 GCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000672692885 1199317516 /nfs/dbraw/zinc/31/75/16/1199317516.db2.gz LEVAHZTUGIOKDN-IBGZPJMESA-N 2 0 393.576 0.463 20 0 GCADRP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1(C)C ZINC000672854506 1199352058 /nfs/dbraw/zinc/35/20/58/1199352058.db2.gz HLPQLINSUCVOCT-IAGOWNOFSA-N 2 0 379.549 0.071 20 0 GCADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1CCO ZINC000672957620 1199376970 /nfs/dbraw/zinc/37/69/70/1199376970.db2.gz QYECJUSISKMKJC-ROUUACIJSA-N 2 0 382.549 0.852 20 0 GCADRP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccn1 ZINC000672989408 1199388600 /nfs/dbraw/zinc/38/86/00/1199388600.db2.gz VDAKMWFIIUKMJK-UHFFFAOYSA-N 2 0 379.505 0.620 20 0 GCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000673014260 1199394209 /nfs/dbraw/zinc/39/42/09/1199394209.db2.gz GEQCUWFBKKHIGL-WMZOPIPTSA-N 2 0 380.533 0.593 20 0 GCADRP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000673096079 1199417580 /nfs/dbraw/zinc/41/75/80/1199417580.db2.gz XCQKSKFPMPVHFW-MAUKXSAKSA-N 2 0 388.512 0.037 20 0 GCADRP C[NH+]1CCC(O)(CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000265828524 1199520560 /nfs/dbraw/zinc/52/05/60/1199520560.db2.gz DCBQBUAPMAGDNX-UHFFFAOYSA-N 2 0 389.544 0.955 20 0 GCADRP C[C@H](CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000673307734 1199533163 /nfs/dbraw/zinc/53/31/63/1199533163.db2.gz OJIPFISOGXJTEN-KZNAEPCWSA-N 2 0 382.549 0.983 20 0 GCADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000627349307 1199536053 /nfs/dbraw/zinc/53/60/53/1199536053.db2.gz JFNYZSDYQCSWBY-OWTLIXCDSA-N 2 0 376.423 0.714 20 0 GCADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000673337142 1199549931 /nfs/dbraw/zinc/54/99/31/1199549931.db2.gz HUMAJKXBGFCUAN-ZWKOTPCHSA-N 2 0 382.549 0.719 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000673427681 1199631440 /nfs/dbraw/zinc/63/14/40/1199631440.db2.gz IQMFMVCNDQNVPW-ROUUACIJSA-N 2 0 380.533 0.690 20 0 GCADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CCCO1 ZINC000673427290 1199632387 /nfs/dbraw/zinc/63/23/87/1199632387.db2.gz ZZOBOZKKPRRHDF-KRWDZBQOSA-N 2 0 398.548 0.173 20 0 GCADRP COC(CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000543328411 1199658013 /nfs/dbraw/zinc/65/80/13/1199658013.db2.gz IOVSVVPZIVHVAT-WNKDZCFJSA-N 2 0 382.549 0.979 20 0 GCADRP CO[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000543328406 1199658334 /nfs/dbraw/zinc/65/83/34/1199658334.db2.gz IOVSVVPZIVHVAT-NNPSNHGLSA-N 2 0 382.549 0.979 20 0 GCADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922350820 1199742790 /nfs/dbraw/zinc/74/27/90/1199742790.db2.gz KEVJTVCWYMNHNI-GOSISDBHSA-N 2 0 382.549 0.258 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673584806 1199828699 /nfs/dbraw/zinc/82/86/99/1199828699.db2.gz JVALGACTULSXQS-OTWHNJEPSA-N 2 0 392.544 0.567 20 0 GCADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673584807 1199828971 /nfs/dbraw/zinc/82/89/71/1199828971.db2.gz JVALGACTULSXQS-QRVBRYPASA-N 2 0 392.544 0.567 20 0 GCADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000673585360 1199832029 /nfs/dbraw/zinc/83/20/29/1199832029.db2.gz JUSFVPJGDVWWMK-QZTJIDSGSA-N 2 0 380.533 0.425 20 0 GCADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000624954472 1199853392 /nfs/dbraw/zinc/85/33/92/1199853392.db2.gz BQRKFKKOUDOYNX-UHFFFAOYSA-N 2 0 394.541 0.636 20 0 GCADRP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C(=O)N3CCC[C@H]3C(N)=O)cc2Cl)CC1 ZINC001168735551 1199879597 /nfs/dbraw/zinc/87/95/97/1199879597.db2.gz BOASYCXIDMRSTB-ZDUSSCGKSA-N 2 0 393.879 0.419 20 0 GCADRP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1S(N)(=O)=O ZINC000673668882 1199925933 /nfs/dbraw/zinc/92/59/33/1199925933.db2.gz BTRSHXFDHAFUQM-KRWDZBQOSA-N 2 0 394.541 0.883 20 0 GCADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000673672322 1199926795 /nfs/dbraw/zinc/92/67/95/1199926795.db2.gz CBZWHJJNFKODRG-IFMALSPDSA-N 2 0 386.540 0.862 20 0 GCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673706988 1199931064 /nfs/dbraw/zinc/93/10/64/1199931064.db2.gz MHOBTCADXTYOBL-WOJBJXKFSA-N 2 0 393.576 0.766 20 0 GCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673706987 1199931163 /nfs/dbraw/zinc/93/11/63/1199931163.db2.gz MHOBTCADXTYOBL-VQTJNVASSA-N 2 0 393.576 0.766 20 0 GCADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000673872560 1199963450 /nfs/dbraw/zinc/96/34/50/1199963450.db2.gz FOCDYTUHXNEWSX-CQSZACIVSA-N 2 0 376.505 0.605 20 0 GCADRP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C(C)C ZINC000670503743 1200382167 /nfs/dbraw/zinc/38/21/67/1200382167.db2.gz DPSFAKXUYXAEME-UHFFFAOYSA-N 2 0 382.549 0.792 20 0 GCADRP CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccco1 ZINC000670526488 1200403918 /nfs/dbraw/zinc/40/39/18/1200403918.db2.gz YPOHZZRUVUWMMX-IAGOWNOFSA-N 2 0 391.516 0.237 20 0 GCADRP O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670526818 1200404505 /nfs/dbraw/zinc/40/45/05/1200404505.db2.gz PHXMELJWRDUDJU-ZWKOTPCHSA-N 2 0 392.544 0.881 20 0 GCADRP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003773 1200409022 /nfs/dbraw/zinc/40/90/22/1200409022.db2.gz GOIYBTDLTROLLS-TVFCKZIOSA-N 2 0 378.521 0.777 20 0 GCADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1=O ZINC000246525176 1200409977 /nfs/dbraw/zinc/40/99/77/1200409977.db2.gz WBVVKGAIKUCAFI-GUDVDZBRSA-N 2 0 394.560 0.888 20 0 GCADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc[nH]1 ZINC000804084162 1200491024 /nfs/dbraw/zinc/49/10/24/1200491024.db2.gz OKNOOMQSHLVNPD-INIZCTEOSA-N 2 0 384.484 0.915 20 0 GCADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC(F)(F)CC1 ZINC000804084462 1200491280 /nfs/dbraw/zinc/49/12/80/1200491280.db2.gz WVTLPQGFEHTNTF-UHFFFAOYSA-N 2 0 395.454 0.968 20 0 GCADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)C1 ZINC000676169428 1200505046 /nfs/dbraw/zinc/50/50/46/1200505046.db2.gz XLZOOPLSGYNKAZ-ZCNNSNEGSA-N 2 0 393.576 0.786 20 0 GCADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000676417949 1200557147 /nfs/dbraw/zinc/55/71/47/1200557147.db2.gz KCYPWMYVPQQQAT-LJQANCHMSA-N 2 0 390.528 0.650 20 0 GCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000373326764 1200649098 /nfs/dbraw/zinc/64/90/98/1200649098.db2.gz DSRYBUYULANJRO-GOEBONIOSA-N 2 0 376.505 1.077 20 0 GCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427361446 1200649126 /nfs/dbraw/zinc/64/91/26/1200649126.db2.gz XLLNUWCBDGSHRZ-OAHLLOKOSA-N 2 0 376.505 1.031 20 0 GCADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365890735 1200651750 /nfs/dbraw/zinc/65/17/50/1200651750.db2.gz WCIUXPIQQLGRMY-MRXNPFEDSA-N 2 0 377.537 1.297 20 0 GCADRP C[C@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(C)(C)C[NH+](C)C ZINC000375745673 1200661652 /nfs/dbraw/zinc/66/16/52/1200661652.db2.gz RHMFPNNVONNEDL-AWEZNQCLSA-N 2 0 378.521 1.181 20 0 GCADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H](C)C1 ZINC000560146843 1200700102 /nfs/dbraw/zinc/70/01/02/1200700102.db2.gz DVASFBKSARCOFJ-ZOBUZTSGSA-N 2 0 382.468 1.395 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000477065170 1200811412 /nfs/dbraw/zinc/81/14/12/1200811412.db2.gz KTPFGQKPMLJFIY-GOSISDBHSA-N 2 0 395.592 0.709 20 0 GCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000477087299 1200820610 /nfs/dbraw/zinc/82/06/10/1200820610.db2.gz WDASYSSPJHTYDI-IPMKNSEASA-N 2 0 395.592 0.850 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000477092877 1200820763 /nfs/dbraw/zinc/82/07/63/1200820763.db2.gz CYECRKGXIBPKCN-QGZVFWFLSA-N 2 0 381.565 0.319 20 0 GCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000477087300 1200820770 /nfs/dbraw/zinc/82/07/70/1200820770.db2.gz WDASYSSPJHTYDI-QRVBRYPASA-N 2 0 395.592 0.850 20 0 GCADRP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COCC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923290762 1200929227 /nfs/dbraw/zinc/92/92/27/1200929227.db2.gz KVPHFWWPWFRFPK-FZDBZEDMSA-N 2 0 378.517 0.393 20 0 GCADRP c1nc(NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000364863151 1200950816 /nfs/dbraw/zinc/95/08/16/1200950816.db2.gz JOIJMKORSHLSJA-BRSBDYLESA-N 2 0 388.516 1.027 20 0 GCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369632793 1201016481 /nfs/dbraw/zinc/01/64/81/1201016481.db2.gz YUGOJZWYGLYMRS-INIZCTEOSA-N 2 0 390.532 1.469 20 0 GCADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000923504980 1201053292 /nfs/dbraw/zinc/05/32/92/1201053292.db2.gz JEBMKYPFZVIYSO-SFHVURJKSA-N 2 0 393.576 0.321 20 0 GCADRP O=S(=O)(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000923592163 1201173195 /nfs/dbraw/zinc/17/31/95/1201173195.db2.gz PCZGQXCRNUSISH-UHFFFAOYSA-N 2 0 395.573 0.324 20 0 GCADRP COC(=O)[C@H](O)C1CC[NH+](C/C=C/C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)CC1 ZINC000611151927 1201220158 /nfs/dbraw/zinc/22/01/58/1201220158.db2.gz RDQKIMQGIXQKBO-GVKUHWBJSA-N 2 0 398.500 0.034 20 0 GCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079718654 1201255258 /nfs/dbraw/zinc/25/52/58/1201255258.db2.gz OMPNBCMBNQLRBI-OWYHZJEWSA-N 2 0 390.532 0.462 20 0 GCADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCO1 ZINC000172984159 1201363802 /nfs/dbraw/zinc/36/38/02/1201363802.db2.gz JXWXDPQAEFOFCZ-INIZCTEOSA-N 2 0 382.549 0.650 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCN4CCCC4=O)C[C@@H]32)CC[N@@H+]1C ZINC001083087684 1201384835 /nfs/dbraw/zinc/38/48/35/1201384835.db2.gz YCMVTSCQIULOKM-ZSYWTGECSA-N 2 0 392.544 0.641 20 0 GCADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000735592350 1201694902 /nfs/dbraw/zinc/69/49/02/1201694902.db2.gz DRKDLSCVCPMQQJ-AEFFLSMTSA-N 2 0 390.484 0.545 20 0 GCADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000741415824 1201778150 /nfs/dbraw/zinc/77/81/50/1201778150.db2.gz XSLGKMJNYHBLKO-QKNQBKEWSA-N 2 0 388.512 0.786 20 0 GCADRP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741500231 1201780207 /nfs/dbraw/zinc/78/02/07/1201780207.db2.gz GNRIWTAIBWIGJS-HNNXBMFYSA-N 2 0 381.550 0.332 20 0 GCADRP Cc1nccn1-c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000743944609 1201828641 /nfs/dbraw/zinc/82/86/41/1201828641.db2.gz KKCFBMSFCSLUJZ-MRXNPFEDSA-N 2 0 398.467 0.695 20 0 GCADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000745830729 1201892238 /nfs/dbraw/zinc/89/22/38/1201892238.db2.gz PNXLVZGFRLSFMK-FUHWJXTLSA-N 2 0 395.548 0.516 20 0 GCADRP COc1ccc(CN2CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC2=O)cc1 ZINC001168909303 1201928785 /nfs/dbraw/zinc/92/87/85/1201928785.db2.gz MTINASHPYBSHSG-OAHLLOKOSA-N 2 0 380.449 0.324 20 0 GCADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)S(C)(=O)=O)cn1 ZINC001169130421 1201932753 /nfs/dbraw/zinc/93/27/53/1201932753.db2.gz NXHPEBOVILDPGI-FLXSYLCISA-N 2 0 381.546 0.580 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCSCC[NH3+] ZINC001169181607 1201937692 /nfs/dbraw/zinc/93/76/92/1201937692.db2.gz SGHIXTWNCAIJTI-CYBMUJFWSA-N 2 0 382.534 0.274 20 0 GCADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC(C)([NH3+])CC1 ZINC001169181725 1201937822 /nfs/dbraw/zinc/93/78/22/1201937822.db2.gz SQUZBSCNWSJHJS-CQSZACIVSA-N 2 0 376.505 0.806 20 0 GCADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169924398 1201959761 /nfs/dbraw/zinc/95/97/61/1201959761.db2.gz OKUFKCFUJABIJL-QGZVFWFLSA-N 2 0 376.494 0.287 20 0 GCADRP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306123 1202018738 /nfs/dbraw/zinc/01/87/38/1202018738.db2.gz UCEGBVJHUYXYSC-MTSZKFMLSA-N 2 0 386.562 0.378 20 0 GCADRP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCCCC1 ZINC001109846470 1202134313 /nfs/dbraw/zinc/13/43/13/1202134313.db2.gz LMDYWSPBEULHPW-SQNIBIBYSA-N 2 0 378.517 0.443 20 0 GCADRP CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)cn1 ZINC001109847814 1202135081 /nfs/dbraw/zinc/13/50/81/1202135081.db2.gz IHIPGKFLPMQTNY-QYZOEREBSA-N 2 0 375.517 0.889 20 0 GCADRP Cn1nccc1CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902769 1202147034 /nfs/dbraw/zinc/14/70/34/1202147034.db2.gz ZQNZBJYAASNBLP-NEWSRXKRSA-N 2 0 375.517 0.795 20 0 GCADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCC(F)(F)F ZINC001109932177 1202152729 /nfs/dbraw/zinc/15/27/29/1202152729.db2.gz DOGXOGFZCNTPDO-QPSCCSFWSA-N 2 0 381.439 0.990 20 0 GCADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCn1cncn1 ZINC001109980653 1202166511 /nfs/dbraw/zinc/16/65/11/1202166511.db2.gz VGXMKFQAFLLOIM-SQNIBIBYSA-N 2 0 378.521 0.748 20 0 GCADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCSC1 ZINC000788252806 1205417545 /nfs/dbraw/zinc/41/75/45/1205417545.db2.gz QFVJPCZKCPINBU-LPHOPBHVSA-N 2 0 398.573 0.300 20 0 GCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790273888 1205461582 /nfs/dbraw/zinc/46/15/82/1205461582.db2.gz OLMXRJKVYRQXJR-RCCFBDPRSA-N 2 0 378.517 0.489 20 0 GCADRP Cn1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cnc1=O ZINC001170390121 1205491305 /nfs/dbraw/zinc/49/13/05/1205491305.db2.gz HMXYWNSFTDIWRF-XEQYVGRISA-N 2 0 397.520 0.054 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(N)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170392058 1205491315 /nfs/dbraw/zinc/49/13/15/1205491315.db2.gz OULLVMATDGNYSL-KDUQRTNCSA-N 2 0 382.509 0.332 20 0 GCADRP Cc1ccc[n+]([O-])c1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389722 1205491320 /nfs/dbraw/zinc/49/13/20/1205491320.db2.gz CYKTTXCYCMRVGX-BEIYGRMHSA-N 2 0 396.532 0.902 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc[n+]2[O-])[C@H](O)OC(C)(C)C)C1 ZINC001170389383 1205491357 /nfs/dbraw/zinc/49/13/57/1205491357.db2.gz CPSPMRDJRZAYKW-FTAMUGHTSA-N 2 0 382.505 0.593 20 0 GCADRP Cc1cc[n+]([O-])c(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170388300 1205491376 /nfs/dbraw/zinc/49/13/76/1205491376.db2.gz KWADNZIRKZQWLU-BGJMDTOESA-N 2 0 396.532 0.902 20 0 GCADRP Cn1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc1=O ZINC001170392296 1205491592 /nfs/dbraw/zinc/49/15/92/1205491592.db2.gz GGCQTUYISNTKOR-KWFCSAJOSA-N 2 0 396.532 0.659 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ncc(N)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170392061 1205491608 /nfs/dbraw/zinc/49/16/08/1205491608.db2.gz OULLVMATDGNYSL-YIIZKNBGSA-N 2 0 382.509 0.332 20 0 GCADRP Cn1nccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1=O ZINC001170399872 1205491820 /nfs/dbraw/zinc/49/18/20/1205491820.db2.gz OQWLTORBVQQVLR-RQFGQTSKSA-N 2 0 397.520 0.054 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000793708610 1205502780 /nfs/dbraw/zinc/50/27/80/1205502780.db2.gz IXLDVKWLCOXDRV-MSOLQXFVSA-N 2 0 380.533 0.548 20 0 GCADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000793708619 1205503252 /nfs/dbraw/zinc/50/32/52/1205503252.db2.gz IZGFNAVTFVVUPT-ZWKOTPCHSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000793699142 1205504264 /nfs/dbraw/zinc/50/42/64/1205504264.db2.gz MKFQTLTZRALRGJ-KRWDZBQOSA-N 2 0 382.549 0.936 20 0 GCADRP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+]1CCCCC1 ZINC000793699837 1205504429 /nfs/dbraw/zinc/50/44/29/1205504429.db2.gz BKZQVXFOBTVVOY-QGZVFWFLSA-N 2 0 380.533 0.738 20 0 GCADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000793705569 1205504588 /nfs/dbraw/zinc/50/45/88/1205504588.db2.gz FJXHWSKPTBRHRF-GUDVDZBRSA-N 2 0 393.576 0.461 20 0 GCADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000793818204 1205507581 /nfs/dbraw/zinc/50/75/81/1205507581.db2.gz VTIMSAXHSIPBJQ-UHFFFAOYSA-N 2 0 390.528 0.934 20 0 GCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCOCC3CC3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129858306 1205521102 /nfs/dbraw/zinc/52/11/02/1205521102.db2.gz VDWXMQWATQYNRW-DDBAPUKQSA-N 2 0 376.505 0.386 20 0 GCADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000804897702 1205527802 /nfs/dbraw/zinc/52/78/02/1205527802.db2.gz VKWSAWLBWNCGGJ-LXPRWKDFSA-N 2 0 380.533 0.737 20 0 GCADRP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130593383 1205554327 /nfs/dbraw/zinc/55/43/27/1205554327.db2.gz ZKRCIFBGRCTBTJ-VXIBKDFQSA-N 2 0 393.532 0.307 20 0 GCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001130596520 1205554878 /nfs/dbraw/zinc/55/48/78/1205554878.db2.gz HHOGVFXKZOGHPQ-RNIPGJKVSA-N 2 0 393.532 0.043 20 0 GCADRP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nc12 ZINC000806537731 1205558284 /nfs/dbraw/zinc/55/82/84/1205558284.db2.gz VCZRVFVZHNCOQT-IRXDYDNUSA-N 2 0 385.468 0.281 20 0 GCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809960135 1205632238 /nfs/dbraw/zinc/63/22/38/1205632238.db2.gz VLFHVUBGJGQLMU-LJQANCHMSA-N 2 0 386.537 0.652 20 0 GCADRP COC(=O)CC[C@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000811761749 1205657244 /nfs/dbraw/zinc/65/72/44/1205657244.db2.gz UEGGCFJIZWYNDM-BEFAXECRSA-N 2 0 380.489 0.871 20 0 GCADRP CNC(=O)Oc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000815596250 1205706838 /nfs/dbraw/zinc/70/68/38/1205706838.db2.gz OQBVVTRODBNPAY-UHFFFAOYSA-N 2 0 379.461 0.295 20 0 GCADRP Cc1cn(CC(=O)NCC[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(=O)[nH]c1=O ZINC001171624117 1205708543 /nfs/dbraw/zinc/70/85/43/1205708543.db2.gz NDDZGJDCDCKBPM-UHFFFAOYSA-N 2 0 379.505 0.615 20 0 GCADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C3C[C@@H]4COC[C@H](C3)N4C)CC2)C1 ZINC001172136473 1205712736 /nfs/dbraw/zinc/71/27/36/1205712736.db2.gz BRBOXSVVWCROGC-YQQQUEKLSA-N 2 0 394.560 0.351 20 0 GCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001172108665 1205713153 /nfs/dbraw/zinc/71/31/53/1205713153.db2.gz CTPCVHRMJRVBFF-INSJMTBZSA-N 2 0 388.516 0.417 20 0 GCADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001172108660 1205713229 /nfs/dbraw/zinc/71/32/29/1205713229.db2.gz CTPCVHRMJRVBFF-CRCOGDFISA-N 2 0 388.516 0.417 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172175522 1205713791 /nfs/dbraw/zinc/71/37/91/1205713791.db2.gz SUYVHRVONYCBCY-QZTJIDSGSA-N 2 0 391.560 0.310 20 0 GCADRP COC(=O)[C@H]1CCC[C@H]([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612626 1205716465 /nfs/dbraw/zinc/71/64/65/1205716465.db2.gz COSAHIPPEQPJLT-XWTMOSNGSA-N 2 0 381.517 0.829 20 0 GCADRP COC(=O)[C@H]1CCC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001172799412 1205717467 /nfs/dbraw/zinc/71/74/67/1205717467.db2.gz PEHBYAMVTXWRQY-ROUUACIJSA-N 2 0 390.521 0.723 20 0 GCADRP CC[N@@H+]1CC[C@H](N(C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363194 1205720160 /nfs/dbraw/zinc/72/01/60/1205720160.db2.gz JOBNSQROQAIGFH-VDZJLULYSA-N 2 0 379.480 0.911 20 0 GCADRP COC(=O)[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CCO)CCN1C(=O)c1ccccc1 ZINC001173509063 1205721932 /nfs/dbraw/zinc/72/19/32/1205721932.db2.gz QFQKFIXVAYSQJT-QZTJIDSGSA-N 2 0 377.485 0.737 20 0 GCADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@@H]2C1 ZINC001173579036 1205724765 /nfs/dbraw/zinc/72/47/65/1205724765.db2.gz OFFSOJHAUCZFLG-UYTYNIKBSA-N 2 0 398.500 0.396 20 0 GCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176637244 1205750566 /nfs/dbraw/zinc/75/05/66/1205750566.db2.gz YXEGPTQFDYAKKG-AWEZNQCLSA-N 2 0 379.505 0.725 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccon2)[C@@H](O)OC(C)(C)C)C1 ZINC001177516944 1205770962 /nfs/dbraw/zinc/77/09/62/1205770962.db2.gz QNHXQHKCMVUPAB-AHMROAQXSA-N 2 0 398.504 0.513 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccon2)[C@@H](O)OC(C)(C)C)C1 ZINC001177516943 1205771017 /nfs/dbraw/zinc/77/10/17/1205771017.db2.gz QNHXQHKCMVUPAB-ADBDHWBDSA-N 2 0 398.504 0.513 20 0 GCADRP CSCC[C@H](NC(=O)/C=C/c1ccco1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001178363117 1205786458 /nfs/dbraw/zinc/78/64/58/1205786458.db2.gz KKCYVEBASDZZQG-UZYOAWRESA-N 2 0 381.502 0.992 20 0 GCADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 ZINC001178666323 1205791530 /nfs/dbraw/zinc/79/15/30/1205791530.db2.gz GKYCUKLWMONWAE-UONOGXRCSA-N 2 0 385.509 0.668 20 0 GCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001180408899 1205824683 /nfs/dbraw/zinc/82/46/83/1205824683.db2.gz TYBPUUUEMQZXIA-FGTMMUONSA-N 2 0 386.452 0.351 20 0 GCADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001180408470 1205824803 /nfs/dbraw/zinc/82/48/03/1205824803.db2.gz WTWQPSULHRZJIV-GBESFXJTSA-N 2 0 389.496 0.697 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[C@H]1CCCCO1)CC2 ZINC001180421377 1205824931 /nfs/dbraw/zinc/82/49/31/1205824931.db2.gz TXJLSIDVUWGSSS-QGZVFWFLSA-N 2 0 380.533 0.642 20 0 GCADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[C@@H]1CCCCO1)CC2 ZINC001180421376 1205825100 /nfs/dbraw/zinc/82/51/00/1205825100.db2.gz TXJLSIDVUWGSSS-KRWDZBQOSA-N 2 0 380.533 0.642 20 0 GCADRP C[C@@H](C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)[NH+]1CCCC1 ZINC001180578358 1205826128 /nfs/dbraw/zinc/82/61/28/1205826128.db2.gz GAIOGEHTRCIKNF-FUHWJXTLSA-N 2 0 390.532 0.838 20 0 GCADRP CC(C)(C)OC(=O)NCCOCCOCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001181147335 1205839809 /nfs/dbraw/zinc/83/98/09/1205839809.db2.gz GJHYTBPFXBGATD-UHFFFAOYSA-N 2 0 375.470 0.005 20 0 GCADRP Nc1cc(CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)ccn1 ZINC001181276886 1205841034 /nfs/dbraw/zinc/84/10/34/1205841034.db2.gz KJQJDTPZNJHWKK-UHFFFAOYSA-N 2 0 375.454 0.153 20 0 GCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001182002061 1205853199 /nfs/dbraw/zinc/85/31/99/1205853199.db2.gz WVRHDQFNZKZYAH-QGZVFWFLSA-N 2 0 380.514 0.807 20 0 GCADRP Cc1ccc(N(C(=O)C2(O)CC[NH+](C)CC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001182032909 1205854062 /nfs/dbraw/zinc/85/40/62/1205854062.db2.gz VZCJJRUCEGLFPW-APWZRJJASA-N 2 0 389.500 0.486 20 0 GCADRP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182342192 1205865773 /nfs/dbraw/zinc/86/57/73/1205865773.db2.gz DAHJXTWDBCHMPG-QGZVFWFLSA-N 2 0 378.477 0.872 20 0 GCADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)CC3)CC1 ZINC001182556873 1205875823 /nfs/dbraw/zinc/87/58/23/1205875823.db2.gz MXFCHHDOQIVFSP-IBGZPJMESA-N 2 0 386.544 0.847 20 0 GCADRP Cn1nnc2c1CCN(C(=O)C1([NH+](C)C)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001182596221 1205877170 /nfs/dbraw/zinc/87/71/70/1205877170.db2.gz GYWSVBWSEZHNRS-INIZCTEOSA-N 2 0 376.505 0.448 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C(=O)C2CC2)[C@H](O)OC(C)(C)C)C1 ZINC001182671403 1205878226 /nfs/dbraw/zinc/87/82/26/1205878226.db2.gz IPMLNJXIWCXMKF-KBXBGSNASA-N 2 0 385.505 0.261 20 0 GCADRP CC(C)[C@H](C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)[NH+](C)C ZINC001183360347 1205891384 /nfs/dbraw/zinc/89/13/84/1205891384.db2.gz NVGQJFCJGMBJLQ-IEBWSBKVSA-N 2 0 392.548 0.940 20 0 GCADRP C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183713035 1205898877 /nfs/dbraw/zinc/89/88/77/1205898877.db2.gz CNHNYVWGCFBYQR-STQMWFEESA-N 2 0 398.508 0.352 20 0 GCADRP CN1CC[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[NH+]2C1 ZINC001185262298 1205919794 /nfs/dbraw/zinc/91/97/94/1205919794.db2.gz MEEMZPVRZVWWCR-IKGGRYGDSA-N 2 0 395.548 0.290 20 0 GCADRP Cc1cnc2c(N(CC[NH3+])C(=O)CN3CC[C@@H](O)C3)nc3ccc(C)cc3n12 ZINC001186055031 1205934392 /nfs/dbraw/zinc/93/43/92/1205934392.db2.gz JWNMEMWDMYRHDQ-OAHLLOKOSA-N 2 0 382.468 0.858 20 0 GCADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[NH+]1CC[C@H](C(=O)OC)C1)C2 ZINC001186105951 1205935107 /nfs/dbraw/zinc/93/51/07/1205935107.db2.gz INQNTMKMPKDIQY-WAOWUJCRSA-N 2 0 393.528 0.688 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001187742750 1205968382 /nfs/dbraw/zinc/96/83/82/1205968382.db2.gz VOJRBOZJXDPCFD-WVXQGFRLSA-N 2 0 383.493 0.319 20 0 GCADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccc[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001188582733 1205988015 /nfs/dbraw/zinc/98/80/15/1205988015.db2.gz XFUIWFIIIFEWBE-WSLKZVHASA-N 2 0 382.505 0.924 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ccc[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001188582731 1205988046 /nfs/dbraw/zinc/98/80/46/1205988046.db2.gz XFUIWFIIIFEWBE-RQFGQTSKSA-N 2 0 382.505 0.924 20 0 GCADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCCC1 ZINC000775220892 1205995498 /nfs/dbraw/zinc/99/54/98/1205995498.db2.gz CTDVBNCIFZHCPU-IAGOWNOFSA-N 2 0 380.533 0.737 20 0 GCADRP COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C1 ZINC001189383244 1206002757 /nfs/dbraw/zinc/00/27/57/1206002757.db2.gz IXGZBZRXSYQGHG-ZBFHGGJFSA-N 2 0 375.535 0.616 20 0 GCADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001189552657 1206009691 /nfs/dbraw/zinc/00/96/91/1206009691.db2.gz VDFJYVVWBSFYHP-WLCUGFDKSA-N 2 0 399.492 0.025 20 0 GCADRP CC[NH+]1CCN(Cc2ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc2)CC1 ZINC001190867059 1206049431 /nfs/dbraw/zinc/04/94/31/1206049431.db2.gz VSBSIDXLGYJUQQ-UHFFFAOYSA-N 2 0 393.492 0.102 20 0 GCADRP