smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+](C)C[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC001598622293 994021612 /nfs/dbraw/zinc/02/16/12/994021612.db2.gz AMJKRRPWDPJEAE-QGZVFWFLSA-N 1 0 389.500 0.596 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=S)NCCNS(C)(=O)=O)[NH+](C)C)cc1 ZINC000899725612 639271262 /nfs/dbraw/zinc/27/12/62/639271262.db2.gz YCNFCTJQQHWWGG-OAHLLOKOSA-N 1 0 387.575 0.369 20 10 GCCDRO C[NH+](C)CCCS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000866712880 641318293 /nfs/dbraw/zinc/31/82/93/641318293.db2.gz QDNJGQHDEZKTRW-UHFFFAOYSA-N 1 0 389.543 0.293 20 10 GCCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056931 641629375 /nfs/dbraw/zinc/62/93/75/641629375.db2.gz UGSSTEVYSNPRDA-QWHCGFSZSA-N 1 0 384.527 0.721 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)[NH+](C)C)cc1 ZINC000893656195 1192500532 /nfs/dbraw/zinc/50/05/32/1192500532.db2.gz QYOAOBCUZVVFNI-YESZJQIVSA-N 1 0 377.489 0.687 20 10 GCCDRO COC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000279517452 1192550034 /nfs/dbraw/zinc/55/00/34/1192550034.db2.gz AWIFLGRPEFCACD-INIZCTEOSA-N 1 0 380.489 0.514 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@@H](O)C[C@H]3CO)CC2)cc1 ZINC000274879408 1184414475 /nfs/dbraw/zinc/41/44/75/1184414475.db2.gz WFYOAATVWHJDGY-ROUUACIJSA-N 1 0 392.500 0.344 20 10 GCCDRO Cn1nc2c(c1NC(=O)C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)CCC2 ZINC000891146074 1184986899 /nfs/dbraw/zinc/98/68/99/1184986899.db2.gz DMLUOYIQKXHSTC-UHFFFAOYSA-N 1 0 396.495 0.916 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(n3cnnn3)CCOCC2)[NH+](C)C)cc1 ZINC000891246124 1185175892 /nfs/dbraw/zinc/17/58/92/1185175892.db2.gz MJIPUBGFIKCORK-QGZVFWFLSA-N 1 0 387.488 0.664 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)[NH+](C)C)cc1 ZINC000891245716 1185176174 /nfs/dbraw/zinc/17/61/74/1185176174.db2.gz HSRSCBVTPSUQTA-OTWHNJEPSA-N 1 0 398.511 0.901 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)C2(n3cnnn3)CCOCC2)[NH+](C)C)cc1 ZINC000891246121 1185176225 /nfs/dbraw/zinc/17/62/25/1185176225.db2.gz MJIPUBGFIKCORK-KRWDZBQOSA-N 1 0 387.488 0.664 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[NH+](C)C)cc1 ZINC000891246224 1185177150 /nfs/dbraw/zinc/17/71/50/1185177150.db2.gz AQWSGBAATLUYAI-MRXNPFEDSA-N 1 0 385.534 0.210 20 10 GCCDRO COCCn1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1=O ZINC000891254724 1185186112 /nfs/dbraw/zinc/18/61/12/1185186112.db2.gz IQKHGTXTDTVTAX-SFHVURJKSA-N 1 0 387.484 0.988 20 10 GCCDRO CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000933230475 1185638371 /nfs/dbraw/zinc/63/83/71/1185638371.db2.gz WYMCMFMGEBGQAQ-ICSRJNTNSA-N 1 0 390.528 0.779 20 10 GCCDRO CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000934321961 1186437290 /nfs/dbraw/zinc/43/72/90/1186437290.db2.gz VXQUUNVTIKHWPZ-QZTJIDSGSA-N 1 0 375.517 0.682 20 10 GCCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ncnn21 ZINC000934320928 1186438429 /nfs/dbraw/zinc/43/84/29/1186438429.db2.gz PNAWODNAYNNTMA-XYPHTWIQSA-N 1 0 399.499 0.885 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)CC2(CO)CC2)[NH+](C)C)cc1 ZINC000934326909 1186440935 /nfs/dbraw/zinc/44/09/35/1186440935.db2.gz FBECOJPRFOHPLU-KRWDZBQOSA-N 1 0 376.501 0.702 20 10 GCCDRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](CO)O1 ZINC000934326918 1186442051 /nfs/dbraw/zinc/44/20/51/1186442051.db2.gz FDKRGOPNFYZFBK-FHLIZLRMSA-N 1 0 392.500 0.080 20 10 GCCDRO O=C(C[C@H]1CC(=O)NC1=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000935192580 1187002922 /nfs/dbraw/zinc/00/29/22/1187002922.db2.gz COZSMKSMYIAAOC-KRWDZBQOSA-N 1 0 384.480 0.888 20 10 GCCDRO CNC(=O)NC(=O)CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759873162 1189795096 /nfs/dbraw/zinc/79/50/96/1189795096.db2.gz QXEZQEJQFMKJFO-UHFFFAOYSA-N 1 0 380.445 0.680 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)NCCS(=O)(=O)N(C)C)[NH+](C)C)cc1 ZINC000894989213 1195644569 /nfs/dbraw/zinc/64/45/69/1195644569.db2.gz XALMCNCJGRIKNK-INIZCTEOSA-N 1 0 385.534 0.546 20 10 GCCDRO C[C@H](Cn1cccn1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897456424 1197335569 /nfs/dbraw/zinc/33/55/69/1197335569.db2.gz YCLXAVJKCKCHKT-MRXNPFEDSA-N 1 0 384.484 0.456 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000897480817 1197384720 /nfs/dbraw/zinc/38/47/20/1197384720.db2.gz JMXKXGNJGCKESU-KRWDZBQOSA-N 1 0 396.495 0.451 20 10 GCCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)cc1C ZINC001082739047 1201345848 /nfs/dbraw/zinc/34/58/48/1201345848.db2.gz VMEPHLVKUYRJID-LFVTVUPYSA-N 1 0 375.469 0.973 20 10 GCCDRO CNC(=O)C1([NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000734000508 1201637342 /nfs/dbraw/zinc/63/73/42/1201637342.db2.gz ZACBMFDKNIWYNU-UHFFFAOYSA-N 1 0 392.475 0.927 20 10 GCCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000735870835 1201703254 /nfs/dbraw/zinc/70/32/54/1201703254.db2.gz QCONLHGYLGTOBH-UHFFFAOYSA-N 1 0 390.528 0.732 20 10 GCCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788934246 1205433252 /nfs/dbraw/zinc/43/32/52/1205433252.db2.gz VIUQAWZYFPRQCX-RTBURBONSA-N 1 0 386.496 0.882 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3NC(=O)O[C@H]3C)CC2)cc1 ZINC000789946281 1205452904 /nfs/dbraw/zinc/45/29/04/1205452904.db2.gz CTLLEHXBBTYJLU-WMLDXEAASA-N 1 0 376.457 0.820 20 10 GCCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C3(CO)CCOCC3)CC2)cc1 ZINC000792409254 1205487272 /nfs/dbraw/zinc/48/72/72/1205487272.db2.gz MEOAMRYJEBWVQL-LJQANCHMSA-N 1 0 393.528 0.651 20 10 GCCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CCn4cnnc4[C@@H]3C)CC2)cc1 ZINC000792379098 1205487340 /nfs/dbraw/zinc/48/73/40/1205487340.db2.gz AWUXDXGXBYCPIY-WMZOPIPTSA-N 1 0 386.500 0.846 20 10 GCCDRO CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000793733624 1205505382 /nfs/dbraw/zinc/50/53/82/1205505382.db2.gz NFHKYOGCMRJSDS-INIZCTEOSA-N 1 0 389.500 0.025 20 10 GCCDRO COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000793816056 1205507486 /nfs/dbraw/zinc/50/74/86/1205507486.db2.gz IBWLSTDERRUJFT-UHFFFAOYSA-N 1 0 380.464 0.735 20 10 GCCDRO COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000793818191 1205507532 /nfs/dbraw/zinc/50/75/32/1205507532.db2.gz VNQDFPNSZMOCSL-UHFFFAOYSA-N 1 0 376.501 0.904 20 10 GCCDRO COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000793818264 1205507606 /nfs/dbraw/zinc/50/76/06/1205507606.db2.gz WOMUVIXLHAXKQF-UHFFFAOYSA-N 1 0 386.496 0.906 20 10 GCCDRO COCCN1C(=O)C(=CNNc2ccc(C(F)(F)F)c[nH+]2)C(=O)NC1=S ZINC000814320210 1205689769 /nfs/dbraw/zinc/68/97/69/1205689769.db2.gz IUIYTOZWGVOBHE-VQHVLOKHSA-N 1 0 389.359 0.791 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC001176083401 1205743516 /nfs/dbraw/zinc/74/35/16/1205743516.db2.gz JLEPQPHNKFWTBF-UHFFFAOYSA-N 1 0 378.440 0.944 20 10 GCCDRO CCOC(=O)c1c(NC(=O)CCC(=O)NCC[NH2+]CCO)sc2c1CCC2 ZINC001177957822 1205779904 /nfs/dbraw/zinc/77/99/04/1205779904.db2.gz ODIKTFKWUIBZBJ-UHFFFAOYSA-N 1 0 397.497 0.830 20 10 GCCDRO COCC[C@@]1([NH2+]C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCOC1 ZINC000773956979 1205852291 /nfs/dbraw/zinc/85/22/91/1205852291.db2.gz ZPVYTINJXQMXAX-PZJWPPBQSA-N 1 0 393.528 0.963 20 10 GCCDRO C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000774855388 1205920532 /nfs/dbraw/zinc/92/05/32/1205920532.db2.gz RQNNMRZLZGEKPV-UHFFFAOYSA-N 1 0 378.448 0.489 20 10 GCCDRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000820803940 606769150 /nfs/dbraw/zinc/76/91/50/606769150.db2.gz JYJMFWJVQZZQSF-NSHDSACASA-N 1 0 396.411 0.802 20 10 GCCDRO CN(C)[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882663317 641731759 /nfs/dbraw/zinc/73/17/59/641731759.db2.gz VBAICQFNDMVTRF-DEOSSOPVSA-N 1 0 389.547 0.347 20 10 GCCDRO O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1O)N1CCOCC1 ZINC000825246421 642048011 /nfs/dbraw/zinc/04/80/11/642048011.db2.gz AEXCFXXDTZEEFS-UHFFFAOYSA-N 1 0 379.276 0.906 20 10 GCCDRO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893606985 1192338361 /nfs/dbraw/zinc/33/83/61/1192338361.db2.gz CJIIOMKTPNLOKR-KRWDZBQOSA-N 1 0 382.530 0.628 20 10 GCCDRO CC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000893607161 1192338420 /nfs/dbraw/zinc/33/84/20/1192338420.db2.gz DMWTYCBIZONUEM-FQEVSTJZSA-N 1 0 387.484 0.775 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)[NH+](C)C)cc1 ZINC000893656191 1192500487 /nfs/dbraw/zinc/50/04/87/1192500487.db2.gz QYOAOBCUZVVFNI-IKGGRYGDSA-N 1 0 377.489 0.687 20 10 GCCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)cc2=O ZINC000275246410 1184566511 /nfs/dbraw/zinc/56/65/11/1184566511.db2.gz OFVBZXAFIWWKLZ-QWHCGFSZSA-N 1 0 377.445 0.499 20 10 GCCDRO Cc1cc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(=O)n(C)c1 ZINC000891143963 1184986122 /nfs/dbraw/zinc/98/61/22/1184986122.db2.gz AAICLTUNNKEBGW-UHFFFAOYSA-N 1 0 397.479 0.700 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[NH+](C)C)cc1 ZINC000891249265 1185179631 /nfs/dbraw/zinc/17/96/31/1185179631.db2.gz PXWGIXGKBOQKNV-NVXWUHKLSA-N 1 0 397.545 0.387 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)C2=NN(CCO)C(=O)CC2)[NH+](C)C)cc1 ZINC000891249607 1185180581 /nfs/dbraw/zinc/18/05/81/1185180581.db2.gz UZJHWTFDDVCYLX-QGZVFWFLSA-N 1 0 375.473 0.442 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnn(C[C@H](O)CO)c2)[NH+](C)C)cc1 ZINC000891250137 1185181366 /nfs/dbraw/zinc/18/13/66/1185181366.db2.gz UWVUPHXHWJTKSC-ROUUACIJSA-N 1 0 375.473 0.335 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000891251601 1185182408 /nfs/dbraw/zinc/18/24/08/1185182408.db2.gz CDQSEILOBDJFAF-IRXDYDNUSA-N 1 0 382.530 0.896 20 10 GCCDRO COCCn1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1=O ZINC000891254722 1185186492 /nfs/dbraw/zinc/18/64/92/1185186492.db2.gz IQKHGTXTDTVTAX-GOSISDBHSA-N 1 0 387.484 0.988 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[C@H](C(N)=O)O3)CC2)cc1 ZINC000276570564 1185907016 /nfs/dbraw/zinc/90/70/16/1185907016.db2.gz LAKNDIJBJUJISP-QZTJIDSGSA-N 1 0 390.484 0.356 20 10 GCCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C3(CO)CCOCC3)CC2)cc1 ZINC000276731901 1186000420 /nfs/dbraw/zinc/00/04/20/1186000420.db2.gz DJSYGNBNMTYWSX-UHFFFAOYSA-N 1 0 377.485 0.817 20 10 GCCDRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000934045027 1186225406 /nfs/dbraw/zinc/22/54/06/1186225406.db2.gz GSRYICCPIXXJJZ-SJLPKXTDSA-N 1 0 381.448 0.672 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N(CCO)CC(F)F)[NH+](C)C)cc1 ZINC000934318369 1186436044 /nfs/dbraw/zinc/43/60/44/1186436044.db2.gz BCQJKNPTNFRHKN-HNNXBMFYSA-N 1 0 386.443 0.558 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)CCc2cnccn2)[NH+](C)C)cc1 ZINC000934321793 1186437330 /nfs/dbraw/zinc/43/73/30/1186437330.db2.gz YYDZHGCOMKPNCL-LJQANCHMSA-N 1 0 398.511 0.963 20 10 GCCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000472235798 1186592406 /nfs/dbraw/zinc/59/24/06/1186592406.db2.gz CJPKLBCSZILUKE-OAHLLOKOSA-N 1 0 387.484 0.814 20 10 GCCDRO CC(C)NS(=O)(=O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892475427 1187423650 /nfs/dbraw/zinc/42/36/50/1187423650.db2.gz HPINSIYIJIXZRW-QGZVFWFLSA-N 1 0 399.561 0.982 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)NCCN2CCNC(=O)C2)[NH+](C)C)cc1 ZINC000894105830 1193732104 /nfs/dbraw/zinc/73/21/04/1193732104.db2.gz GDKOVHHXQHCUDG-KRWDZBQOSA-N 1 0 376.505 0.086 20 10 GCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CN3CCNCC3=O)cc2F)CC1 ZINC000236998848 1193765249 /nfs/dbraw/zinc/76/52/49/1193765249.db2.gz KWJOZYDCLWVINS-UHFFFAOYSA-N 1 0 377.464 0.016 20 10 GCCDRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000280728870 1194016912 /nfs/dbraw/zinc/01/69/12/1194016912.db2.gz LAEGAUAQUDASRQ-LJQANCHMSA-N 1 0 378.448 0.476 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCCOCCO)CC2)cc1 ZINC000272684506 1194487602 /nfs/dbraw/zinc/48/76/02/1194487602.db2.gz UCFGFDPYEDBBLT-UHFFFAOYSA-N 1 0 394.516 0.906 20 10 GCCDRO O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[N@H+](Cc1cccc(=O)[nH]1)C2 ZINC001269897211 1194886236 /nfs/dbraw/zinc/88/62/36/1194886236.db2.gz DCYNXHBUULKKSD-UHFFFAOYSA-N 1 0 392.506 0.682 20 10 GCCDRO O=C(CN1C(=O)CSC1=S)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC001269897671 1194886604 /nfs/dbraw/zinc/88/66/04/1194886604.db2.gz HSIMLSNESWFKLV-BETUJISGSA-N 1 0 379.511 0.419 20 10 GCCDRO CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1C(=O)CSC1=S)CC2 ZINC001269898007 1194887110 /nfs/dbraw/zinc/88/71/10/1194887110.db2.gz MFVWNGXUAUZFTI-UHFFFAOYSA-N 1 0 384.571 0.723 20 10 GCCDRO O=C(CN1C(=O)CSC1=S)N1CC[C@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001269898291 1194887228 /nfs/dbraw/zinc/88/72/28/1194887228.db2.gz QRZSCJIJTGQXAE-WCQYABFASA-N 1 0 392.506 0.680 20 10 GCCDRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895134447 1195877307 /nfs/dbraw/zinc/87/73/07/1195877307.db2.gz YHEALRVGATYOKO-NVXWUHKLSA-N 1 0 399.561 0.982 20 10 GCCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH2+][C@H](C)COC(C)=O)CC2)cc1 ZINC000895356012 1196086847 /nfs/dbraw/zinc/08/68/47/1196086847.db2.gz RXGGOLSPCDZCRH-OAHLLOKOSA-N 1 0 399.513 0.688 20 10 GCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895726245 1196109772 /nfs/dbraw/zinc/10/97/72/1196109772.db2.gz VFGWJPZDFOIVLD-BRWVUGGUSA-N 1 0 398.529 0.467 20 10 GCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895726248 1196109869 /nfs/dbraw/zinc/10/98/69/1196109869.db2.gz VFGWJPZDFOIVLD-YESZJQIVSA-N 1 0 398.529 0.467 20 10 GCCDRO C[C@@H](Cn1cccn1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897456423 1197335627 /nfs/dbraw/zinc/33/56/27/1197335627.db2.gz YCLXAVJKCKCHKT-INIZCTEOSA-N 1 0 384.484 0.456 20 10 GCCDRO CN(C)c1ccc(CNC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000131434983 1197377117 /nfs/dbraw/zinc/37/71/17/1197377117.db2.gz HQVOXDWISCPYTM-IBGZPJMESA-N 1 0 387.528 0.783 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCc3cnccn3)cc2)CC1 ZINC000897499834 1197415290 /nfs/dbraw/zinc/41/52/90/1197415290.db2.gz QWLGWKRKIVBFLB-UHFFFAOYSA-N 1 0 382.468 0.204 20 10 GCCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000843261088 1199830916 /nfs/dbraw/zinc/83/09/16/1199830916.db2.gz IVDSTGOZSIGINT-CHWSQXEVSA-N 1 0 380.464 0.645 20 10 GCCDRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000804083531 1200488832 /nfs/dbraw/zinc/48/88/32/1200488832.db2.gz ATWCWBYDTDIWGI-UHFFFAOYSA-N 1 0 392.500 0.428 20 10 GCCDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)CCCN1C(=O)CSC1=S ZINC001273179523 1201011000 /nfs/dbraw/zinc/01/10/00/1201011000.db2.gz KLDNZZZYVHCZOP-KBPBESRZSA-N 1 0 384.571 0.864 20 10 GCCDRO C[N@@H+]1CCN(C(=O)CCCN2C(=O)CSC2=S)C[C@]2(CCCC(=O)N2)C1 ZINC001273179788 1201016329 /nfs/dbraw/zinc/01/63/29/1201016329.db2.gz MFJNWAYTPFJYIV-KRWDZBQOSA-N 1 0 398.554 0.440 20 10 GCCDRO C[NH+](C)CCN1CCC2(CN(C(=O)CCCN3C(=O)CSC3=S)C2)C1 ZINC001273180625 1201025286 /nfs/dbraw/zinc/02/52/86/1201025286.db2.gz RVGAZGWLGPSJAL-UHFFFAOYSA-N 1 0 384.571 0.723 20 10 GCCDRO COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000746397041 1201917632 /nfs/dbraw/zinc/91/76/32/1201917632.db2.gz YTWQSQCDNNVJRK-LBPRGKRZSA-N 1 0 375.429 0.975 20 10 GCCDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000769842398 1202075576 /nfs/dbraw/zinc/07/55/76/1202075576.db2.gz OZWIWKUGUWBEOU-CYBMUJFWSA-N 1 0 384.502 0.520 20 10 GCCDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769842973 1202076104 /nfs/dbraw/zinc/07/61/04/1202076104.db2.gz UGPVENZDRKBARZ-UHFFFAOYSA-N 1 0 398.529 0.862 20 10 GCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@]1(CC(=O)OC)CCCOC1)cc2=O ZINC000770695050 1202108930 /nfs/dbraw/zinc/10/89/30/1202108930.db2.gz CGYZBEHVRVMFKZ-GOSISDBHSA-N 1 0 392.412 0.814 20 10 GCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000788321130 1205420448 /nfs/dbraw/zinc/42/04/48/1205420448.db2.gz SUPHHILCGWTQDI-KRWDZBQOSA-N 1 0 386.496 0.740 20 10 GCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000788954738 1205433418 /nfs/dbraw/zinc/43/34/18/1205433418.db2.gz OOOFFURKWUVBIX-KRWDZBQOSA-N 1 0 376.501 0.986 20 10 GCCDRO COC[C@H]([NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1 ZINC000789384031 1205439381 /nfs/dbraw/zinc/43/93/81/1205439381.db2.gz TVUYTTXOUUOCML-HLAWJBBLSA-N 1 0 393.528 0.962 20 10 GCCDRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000790194958 1205458949 /nfs/dbraw/zinc/45/89/49/1205458949.db2.gz LEUOJQPLHUVWLR-IRXDYDNUSA-N 1 0 389.544 0.930 20 10 GCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000808344429 1205605675 /nfs/dbraw/zinc/60/56/75/1205605675.db2.gz WMKYAUGRJVFTCR-RTBURBONSA-N 1 0 388.512 0.863 20 10 GCCDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000814231073 1205688785 /nfs/dbraw/zinc/68/87/85/1205688785.db2.gz KMOJJYOLNMNAHN-KRWDZBQOSA-N 1 0 394.449 0.976 20 10 GCCDRO Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)n3cc(C[NH3+])cnc3=N)cc12 ZINC001184360421 1205908281 /nfs/dbraw/zinc/90/82/81/1205908281.db2.gz PARWZXLMPHBQIO-UHFFFAOYSA-N 1 0 383.408 0.714 20 10 GCCDRO C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000774853544 1205920854 /nfs/dbraw/zinc/92/08/54/1205920854.db2.gz KIHFTKYJZWTHGD-UHFFFAOYSA-N 1 0 392.475 0.613 20 10 GCCDRO Cn1cnnc1S(=O)(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000867044489 1205991293 /nfs/dbraw/zinc/99/12/93/1205991293.db2.gz VQVXVPRSHXZVBL-UHFFFAOYSA-N 1 0 390.513 0.826 20 10 GCCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000775254156 1206007103 /nfs/dbraw/zinc/00/71/03/1206007103.db2.gz IALWVTBWJLGRSI-ZOBUZTSGSA-N 1 0 395.525 0.866 20 10 GCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000775369833 1206031960 /nfs/dbraw/zinc/03/19/60/1206031960.db2.gz SLVJUEAAHIWFIO-UWVGGRQHSA-N 1 0 376.413 0.302 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC001331906687 957735580 /nfs/dbraw/zinc/73/55/80/957735580.db2.gz LDBFURFEFJDGAA-UHFFFAOYSA-N 1 0 389.500 0.787 20 10 GCCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)[C@@H](O)CO2 ZINC000826511053 608547209 /nfs/dbraw/zinc/54/72/09/608547209.db2.gz ZWMXUVJESFLRKM-INIZCTEOSA-N 1 0 395.423 0.715 20 10 GCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000842784501 642349712 /nfs/dbraw/zinc/34/97/12/642349712.db2.gz GQAGDMVRYHLYNS-XJKSGUPXSA-N 1 0 389.543 0.497 20 10 GCCDRO CO[C@@]1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC000893608440 1192339306 /nfs/dbraw/zinc/33/93/06/1192339306.db2.gz UOTFZCVIQXBOBK-SFHVURJKSA-N 1 0 381.498 0.258 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC(=O)N2CCOCC2)[NH+](C)C)cc1 ZINC000894036585 1192894586 /nfs/dbraw/zinc/89/45/86/1192894586.db2.gz JRWPLEHVXIFHPP-QGZVFWFLSA-N 1 0 377.489 0.513 20 10 GCCDRO CC[N@H+](CCO)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000274687138 1184184073 /nfs/dbraw/zinc/18/40/73/1184184073.db2.gz TYFGMYWBUABKRZ-UHFFFAOYSA-N 1 0 393.532 0.431 20 10 GCCDRO C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1CC(C)(C)O ZINC000275593949 1184779424 /nfs/dbraw/zinc/77/94/24/1184779424.db2.gz LLEABCXZUNHTQP-LBPRGKRZSA-N 1 0 385.486 0.681 20 10 GCCDRO CCc1cc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000891146439 1184986914 /nfs/dbraw/zinc/98/69/14/1184986914.db2.gz VYVPEWNGFUWBPQ-UHFFFAOYSA-N 1 0 384.484 0.989 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)[NH+](C)C)cc1 ZINC000891243930 1185166696 /nfs/dbraw/zinc/16/66/96/1185166696.db2.gz WENKBHIRBRHJMQ-AEFFLSMTSA-N 1 0 382.530 0.943 20 10 GCCDRO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000891255174 1185190460 /nfs/dbraw/zinc/19/04/60/1185190460.db2.gz NISSUXAGMSEGAD-KRWDZBQOSA-N 1 0 387.488 0.465 20 10 GCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cnn(C)c3)cc2F)CC1 ZINC000156669861 1186310188 /nfs/dbraw/zinc/31/01/88/1186310188.db2.gz NJYVXFBQPPSFFK-UHFFFAOYSA-N 1 0 388.447 0.956 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)[NH+](C)C)cc1 ZINC000934320422 1186438240 /nfs/dbraw/zinc/43/82/40/1186438240.db2.gz MBYAMKYVHFIBCM-AOIWGVFYSA-N 1 0 388.512 0.966 20 10 GCCDRO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ncnn21 ZINC000934320921 1186438666 /nfs/dbraw/zinc/43/86/66/1186438666.db2.gz PNAWODNAYNNTMA-XOKHGSTOSA-N 1 0 399.499 0.885 20 10 GCCDRO CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000131577668 1186959043 /nfs/dbraw/zinc/95/90/43/1186959043.db2.gz GEFMUZFGTKEQEZ-UHFFFAOYSA-N 1 0 399.495 0.971 20 10 GCCDRO Cc1cc(C(=O)CN2CC[NH2+]CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000198820594 1189931465 /nfs/dbraw/zinc/93/14/65/1189931465.db2.gz ZASWWHMSBZKAPP-UHFFFAOYSA-N 1 0 376.482 0.829 20 10 GCCDRO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)CN1C(=O)CSC1=S ZINC001270044857 1194980713 /nfs/dbraw/zinc/98/07/13/1194980713.db2.gz HXGYKQHQIKTFBH-KRWDZBQOSA-N 1 0 398.554 0.392 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC(=O)N(C)C2=O)[NH+](C)C)cc1 ZINC000895459008 1196096424 /nfs/dbraw/zinc/09/64/24/1196096424.db2.gz KIIAKNHNMAHIAE-HOTGVXAUSA-N 1 0 375.473 0.802 20 10 GCCDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000895705836 1196108874 /nfs/dbraw/zinc/10/88/74/1196108874.db2.gz BQMSJXISUCJJSL-WMZOPIPTSA-N 1 0 392.525 0.767 20 10 GCCDRO CNS(=O)(=O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896115934 1196126952 /nfs/dbraw/zinc/12/69/52/1196126952.db2.gz CAHRXNGOEGKSEK-INIZCTEOSA-N 1 0 385.534 0.594 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000896445241 1196148926 /nfs/dbraw/zinc/14/89/26/1196148926.db2.gz TVODIUHVIFGTHT-CALCHBBNSA-N 1 0 392.525 0.624 20 10 GCCDRO COCC[C@H](CO)NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000280940807 1196267118 /nfs/dbraw/zinc/26/71/18/1196267118.db2.gz FRQDKSOHBKPPCV-MRXNPFEDSA-N 1 0 380.489 0.514 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCc3ccncc3)cc2)CC1 ZINC000897412618 1197237445 /nfs/dbraw/zinc/23/74/45/1197237445.db2.gz ZREAYMJFIWMXMX-UHFFFAOYSA-N 1 0 381.480 0.809 20 10 GCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000841712086 1197380603 /nfs/dbraw/zinc/38/06/03/1197380603.db2.gz LJAMRCVTFNLPEE-QGZVFWFLSA-N 1 0 391.491 0.851 20 10 GCCDRO CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000141572620 1197396189 /nfs/dbraw/zinc/39/61/89/1197396189.db2.gz JPCLFXDZECHIFX-IBGZPJMESA-N 1 0 387.528 0.607 20 10 GCCDRO CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000141572438 1197396266 /nfs/dbraw/zinc/39/62/66/1197396266.db2.gz JPCLFXDZECHIFX-LJQANCHMSA-N 1 0 387.528 0.607 20 10 GCCDRO C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)Cn1cccn1 ZINC000897494947 1197403061 /nfs/dbraw/zinc/40/30/61/1197403061.db2.gz UKMYNCDOWXHREK-QGZVFWFLSA-N 1 0 398.511 0.704 20 10 GCCDRO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897517343 1197452949 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O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788312863 1205420150 /nfs/dbraw/zinc/42/01/50/1205420150.db2.gz NPAFYCFCNKROKV-IEBWSBKVSA-N 1 0 386.496 0.882 20 10 GCCDRO CCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788311576 1205420172 /nfs/dbraw/zinc/42/01/72/1205420172.db2.gz XHMFXCNBBJRZCZ-UHFFFAOYSA-N 1 0 376.501 0.988 20 10 GCCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC(=O)N(CC4CC4)C3)CC2)cc1 ZINC000789382981 1205439284 /nfs/dbraw/zinc/43/92/84/1205439284.db2.gz NVWRMZAJYOZFOV-IBGZPJMESA-N 1 0 388.512 0.690 20 10 GCCDRO COC[C@H]([NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 ZINC000789384029 1205439318 /nfs/dbraw/zinc/43/93/18/1205439318.db2.gz TVUYTTXOUUOCML-GIVPXCGWSA-N 1 0 393.528 0.962 20 10 GCCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000789801799 1205448081 /nfs/dbraw/zinc/44/80/81/1205448081.db2.gz VDXYZZWTSRBKEQ-GOEBONIOSA-N 1 0 392.475 0.877 20 10 GCCDRO C[NH+](C)CCOCCNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000789868818 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398.511 0.848 20 10 GCCDRO CN(C)c1ccc([C@H](CNc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[NH+](C)C)cc1 ZINC000897523300 1197466896 /nfs/dbraw/zinc/46/68/96/1197466896.db2.gz UAXXAPCUPJBBSS-AWEZNQCLSA-N 1 0 385.472 0.741 20 10 GCCDRO O=C(CCCN1C(=O)CSC1=S)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001273177971 1200995048 /nfs/dbraw/zinc/99/50/48/1200995048.db2.gz AYQSOZYJJZAFDV-UHFFFAOYSA-N 1 0 393.538 0.668 20 10 GCCDRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCN1C(=O)CSC1=S ZINC001273180662 1201026249 /nfs/dbraw/zinc/02/62/49/1201026249.db2.gz SVUXJCIPOAZVRQ-OKILXGFUSA-N 1 0 384.571 0.864 20 10 GCCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[NH+](CC(C)(C)O)CC1)cc2=O ZINC000728055523 1201394892 /nfs/dbraw/zinc/39/48/92/1201394892.db2.gz SHRZXESVKWXHNN-UHFFFAOYSA-N 1 0 377.445 0.500 20 10 GCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(C)c(=O)[nH]c3=O)cc2F)CC1 ZINC000730192462 1201438153 /nfs/dbraw/zinc/43/81/53/1201438153.db2.gz AIBBDFCZOZOASC-UHFFFAOYSA-N 1 0 389.431 0.697 20 10 GCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CN3CCCNC3=O)cc2F)CC1 ZINC000730235180 1201439680 /nfs/dbraw/zinc/43/96/80/1201439680.db2.gz MSVVPOBOAUKERD-UHFFFAOYSA-N 1 0 377.464 0.999 20 10 GCCDRO CCCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@H]1CC(=O)N(C)C1=O ZINC000282581922 1201614204 /nfs/dbraw/zinc/61/42/04/1201614204.db2.gz WCGBNGVOWZGDKW-ZDUSSCGKSA-N 1 0 389.412 0.581 20 10 GCCDRO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741737197 1201785034 /nfs/dbraw/zinc/78/50/34/1201785034.db2.gz RPASRTYGZKHAHJ-OAHLLOKOSA-N 1 0 378.473 0.816 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)CC(N)=O)CC2)cc1 ZINC000745349384 1201871756 /nfs/dbraw/zinc/87/17/56/1201871756.db2.gz HBYFZCAGDMQQCD-HNNXBMFYSA-N 1 0 377.489 0.770 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C)CC(N)=O)CC2)cc1 ZINC000745349385 1201871948 /nfs/dbraw/zinc/87/19/48/1201871948.db2.gz HBYFZCAGDMQQCD-OAHLLOKOSA-N 1 0 377.489 0.770 20 10 GCCDRO COc1ccc(N2CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC2)cc1 ZINC000804316405 1201942663 /nfs/dbraw/zinc/94/26/63/1201942663.db2.gz DBKNEOIVNXLOQN-UHFFFAOYSA-N 1 0 392.500 0.475 20 10 GCCDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768462111 1202017714 /nfs/dbraw/zinc/01/77/14/1202017714.db2.gz JGBREKCMCOCMRL-MRXNPFEDSA-N 1 0 378.425 0.709 20 10 GCCDRO CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000788051659 1205412730 /nfs/dbraw/zinc/41/27/30/1205412730.db2.gz NDYXESNIGYWHAQ-CQSZACIVSA-N 1 0 389.500 0.256 20 10 GCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000789813290 1205449427 /nfs/dbraw/zinc/44/94/27/1205449427.db2.gz SAUCVRZTDMLRFJ-OAHLLOKOSA-N 1 0 390.459 0.631 20 10 GCCDRO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000790194956 1205458622 /nfs/dbraw/zinc/45/86/22/1205458622.db2.gz LEUOJQPLHUVWLR-DLBZAZTESA-N 1 0 389.544 0.930 20 10 GCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000806057856 1205548956 /nfs/dbraw/zinc/54/89/56/1205548956.db2.gz BNHLTRQHKXPEKV-IBGZPJMESA-N 1 0 389.544 0.853 20 10 GCCDRO COCC[C@@H]1COCCN1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000812887270 1205669869 /nfs/dbraw/zinc/66/98/69/1205669869.db2.gz SSPJTDXGORXSDB-WOJBJXKFSA-N 1 0 393.528 0.915 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CN3CCN(C)CC3)CC2)cc1 ZINC001178952191 1205797899 /nfs/dbraw/zinc/79/78/99/1205797899.db2.gz DKZVIFHVUHBZJS-UHFFFAOYSA-N 1 0 389.544 0.571 20 10 GCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3CCC(CO)(OC)CC3)CC2)cc1 ZINC000773945929 1205849618 /nfs/dbraw/zinc/84/96/18/1205849618.db2.gz SHRIEWJKUGDJHC-LJQANCHMSA-N 1 0 393.528 0.651 20 10 GCCDRO COCC[C@@]1([NH2+]C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCOC1 ZINC000773956982 1205852362 /nfs/dbraw/zinc/85/23/62/1205852362.db2.gz ZPVYTINJXQMXAX-TZIWHRDSSA-N 1 0 393.528 0.963 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](CCO)NC(C)=O)CC2)cc1 ZINC001182134302 1205857679 /nfs/dbraw/zinc/85/76/79/1205857679.db2.gz GCCFAUMQFOKUIQ-IBGZPJMESA-N 1 0 392.500 0.211 20 10 GCCDRO COc1cc(O)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1I ZINC001206491818 1205860828 /nfs/dbraw/zinc/86/08/28/1205860828.db2.gz MPNKCLLUCPVMMM-JOYOIKCWSA-N 1 0 378.210 0.757 20 10 GCCDRO Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)n3cnc(C[NH3+])cc3=N)cc12 ZINC001184361317 1205908002 /nfs/dbraw/zinc/90/80/02/1205908002.db2.gz FNYPMEPWTXAESD-UHFFFAOYSA-N 1 0 383.408 0.714 20 10 GCCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000775254155 1206007213 /nfs/dbraw/zinc/00/72/13/1206007213.db2.gz IALWVTBWJLGRSI-YQQAZPJKSA-N 1 0 395.525 0.866 20 10 GCCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)CC1 ZINC000823614371 599438217 /nfs/dbraw/zinc/43/82/17/599438217.db2.gz PGROIQLVBAOYFW-UHFFFAOYSA-N 1 0 388.453 0.984 20 10 GCCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000845832199 642453973 /nfs/dbraw/zinc/45/39/73/642453973.db2.gz ANYNVJNMTABMHU-KGLIPLIRSA-N 1 0 387.889 0.818 20 10 GCCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C)cc2=O ZINC000275246411 1184566058 /nfs/dbraw/zinc/56/60/58/1184566058.db2.gz OFVBZXAFIWWKLZ-STQMWFEESA-N 1 0 377.445 0.499 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4ncnn4c3)cc2)CC1 ZINC000891146667 1184987596 /nfs/dbraw/zinc/98/75/96/1184987596.db2.gz JMHDDFDNAZJZEQ-UHFFFAOYSA-N 1 0 393.451 0.736 20 10 GCCDRO COc1cnc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000891146659 1184987889 /nfs/dbraw/zinc/98/78/89/1184987889.db2.gz JKQJTWPCBWFJKA-UHFFFAOYSA-N 1 0 384.440 0.492 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)[NH+](C)C)cc1 ZINC000891248128 1185179165 /nfs/dbraw/zinc/17/91/65/1185179165.db2.gz VWVWKGCMDAXRGG-KRWDZBQOSA-N 1 0 386.500 0.866 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2nc3ccccn3c2=O)[NH+](C)C)cc1 ZINC000891250584 1185180375 /nfs/dbraw/zinc/18/03/75/1185180375.db2.gz AXACFTHAUUVMLT-QGZVFWFLSA-N 1 0 382.468 0.981 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)[NH+](C)C)cc1 ZINC000891252102 1185181341 /nfs/dbraw/zinc/18/13/41/1185181341.db2.gz GFVBLKOKDWJYSZ-PEKVBPLLSA-N 1 0 399.495 0.582 20 10 GCCDRO 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CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000769842400 1202075562 /nfs/dbraw/zinc/07/55/62/1202075562.db2.gz OZWIWKUGUWBEOU-ZDUSSCGKSA-N 1 0 384.502 0.520 20 10 GCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000788309721 1205419700 /nfs/dbraw/zinc/41/97/00/1205419700.db2.gz GNBFKBHRNOTDJA-LJQANCHMSA-N 1 0 386.496 0.836 20 10 GCCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788934242 1205433266 /nfs/dbraw/zinc/43/32/66/1205433266.db2.gz VIUQAWZYFPRQCX-OALUTQOASA-N 1 0 386.496 0.882 20 10 GCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCn4cnnc4[C@H]3C)CC2)cc1 ZINC000792379093 1205487301 /nfs/dbraw/zinc/48/73/01/1205487301.db2.gz AWUXDXGXBYCPIY-SJLPKXTDSA-N 1 0 386.500 0.846 20 10 GCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCn4cnnc4[C@@H]3C)CC2)cc1 ZINC000792379088 1205487318 /nfs/dbraw/zinc/48/73/18/1205487318.db2.gz AWUXDXGXBYCPIY-FUHWJXTLSA-N 1 0 386.500 0.846 20 10 GCCDRO COc1ccc(N2CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC2)cc1 ZINC000807816594 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ATBZQPBQAJCAAR-MRXNPFEDSA-N 1 0 395.423 0.715 20 10 GCCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)[C@H](O)CO2 ZINC000826511054 608547147 /nfs/dbraw/zinc/54/71/47/608547147.db2.gz ZWMXUVJESFLRKM-MRXNPFEDSA-N 1 0 395.423 0.715 20 10 GCCDRO CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000893607162 1192338277 /nfs/dbraw/zinc/33/82/77/1192338277.db2.gz DMWTYCBIZONUEM-HXUWFJFHSA-N 1 0 387.484 0.775 20 10 GCCDRO CO[C@]1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC000893608438 1192338745 /nfs/dbraw/zinc/33/87/45/1192338745.db2.gz UOTFZCVIQXBOBK-GOSISDBHSA-N 1 0 381.498 0.258 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)[NH+](C)C)cc1 ZINC000893656192 1192500663 /nfs/dbraw/zinc/50/06/63/1192500663.db2.gz QYOAOBCUZVVFNI-IXDOHACOSA-N 1 0 377.489 0.687 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3nc4n(n3)CCCC4)cc2)CC1 ZINC000891147321 1184988633 /nfs/dbraw/zinc/98/86/33/1184988633.db2.gz OGAXATNHMJYAHP-UHFFFAOYSA-N 1 0 397.483 0.621 20 10 GCCDRO 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CCS(=O)(=O)NCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891926834 1186164012 /nfs/dbraw/zinc/16/40/12/1186164012.db2.gz OQGMBAZYGDSQCZ-MRXNPFEDSA-N 1 0 385.534 0.594 20 10 GCCDRO COc1ccc(N2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000891968901 1186260612 /nfs/dbraw/zinc/26/06/12/1186260612.db2.gz QPCLVWKLMYAHLU-UHFFFAOYSA-N 1 0 391.516 0.831 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CCN(C3CC3)CC2)[NH+](C)C)cc1 ZINC000934316938 1186434358 /nfs/dbraw/zinc/43/43/58/1186434358.db2.gz QUZHOFYIHOJEPW-LJQANCHMSA-N 1 0 387.528 0.778 20 10 GCCDRO CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000934321960 1186437116 /nfs/dbraw/zinc/43/71/16/1186437116.db2.gz VXQUUNVTIKHWPZ-MSOLQXFVSA-N 1 0 375.517 0.682 20 10 GCCDRO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000934321838 1186437273 /nfs/dbraw/zinc/43/72/73/1186437273.db2.gz GQMKDSKCEJQWPX-CJNGLKHVSA-N 1 0 375.473 0.118 20 10 GCCDRO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000934321839 1186437461 /nfs/dbraw/zinc/43/74/61/1186437461.db2.gz GQMKDSKCEJQWPX-CZUORRHYSA-N 1 0 375.473 0.118 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)[NH+](C)C)cc1 ZINC000934320425 1186438193 /nfs/dbraw/zinc/43/81/93/1186438193.db2.gz MBYAMKYVHFIBCM-LNLFQRSKSA-N 1 0 388.512 0.966 20 10 GCCDRO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](CO)O1 ZINC000934326919 1186441351 /nfs/dbraw/zinc/44/13/51/1186441351.db2.gz FDKRGOPNFYZFBK-JLSDUUJJSA-N 1 0 392.500 0.080 20 10 GCCDRO C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](CO)O1 ZINC000934326922 1186441646 /nfs/dbraw/zinc/44/16/46/1186441646.db2.gz FDKRGOPNFYZFBK-ZTFGCOKTSA-N 1 0 392.500 0.080 20 10 GCCDRO C[C@@H]1c2nncn2CCN1C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000934328650 1186443291 /nfs/dbraw/zinc/44/32/91/1186443291.db2.gz UMKIOZDARIFQOZ-RHSMWYFYSA-N 1 0 399.499 0.666 20 10 GCCDRO O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892243256 1186485502 /nfs/dbraw/zinc/48/55/02/1186485502.db2.gz WVAMMGRRDNLFKE-ZWKOTPCHSA-N 1 0 392.525 0.957 20 10 GCCDRO O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892243255 1186485572 /nfs/dbraw/zinc/48/55/72/1186485572.db2.gz WVAMMGRRDNLFKE-ROUUACIJSA-N 1 0 392.525 0.957 20 10 GCCDRO O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892243253 1186485748 /nfs/dbraw/zinc/48/57/48/1186485748.db2.gz WVAMMGRRDNLFKE-MSOLQXFVSA-N 1 0 392.525 0.957 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)NCCN2CCCS2(=O)=O)[NH+](C)C)cc1 ZINC000892508319 1187552378 /nfs/dbraw/zinc/55/23/78/1187552378.db2.gz RBZOMFPCMBZEPU-KRWDZBQOSA-N 1 0 397.545 0.690 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)NCCN2C(=O)CCC2=O)[NH+](C)C)cc1 ZINC000892965350 1188076452 /nfs/dbraw/zinc/07/64/52/1188076452.db2.gz JGTAFBFEDMPMHA-INIZCTEOSA-N 1 0 375.473 0.804 20 10 GCCDRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000280728868 1194016622 /nfs/dbraw/zinc/01/66/22/1194016622.db2.gz LAEGAUAQUDASRQ-IBGZPJMESA-N 1 0 378.448 0.476 20 10 GCCDRO COc1cc(N2CC[NH+](CCCC(=O)NC(N)=O)CC2)cc(OC)c1OC ZINC000273647913 1194580059 /nfs/dbraw/zinc/58/00/59/1194580059.db2.gz VSZMWHZCHMNYCB-UHFFFAOYSA-N 1 0 380.445 0.810 20 10 GCCDRO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269897608 1194886630 /nfs/dbraw/zinc/88/66/30/1194886630.db2.gz GPPOXLPMHIRFLI-YHWZYXNKSA-N 1 0 387.527 0.579 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2CN(S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC000894314250 1195003136 /nfs/dbraw/zinc/00/31/36/1195003136.db2.gz URFUIRZTOUZIQL-QGZVFWFLSA-N 1 0 397.545 0.546 20 10 GCCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2nnc3n2CCOC3)[NH+](C)C)cc1 ZINC000894414162 1195421709 /nfs/dbraw/zinc/42/17/09/1195421709.db2.gz PJHXSCKIZXXHFD-MRXNPFEDSA-N 1 0 387.488 0.976 20 10 GCCDRO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895134449 1195877498 /nfs/dbraw/zinc/87/74/98/1195877498.db2.gz YHEALRVGATYOKO-WBVHZDCISA-N 1 0 399.561 0.982 20 10 GCCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)[NH+](C)C)cc1 ZINC000895459006 1196096461 /nfs/dbraw/zinc/09/64/61/1196096461.db2.gz KIIAKNHNMAHIAE-CVEARBPZSA-N 1 0 375.473 0.802 20 10 GCCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)C1 ZINC000895809630 1196112496 /nfs/dbraw/zinc/11/24/96/1196112496.db2.gz NVFJHPIMALCWSZ-APWZRJJASA-N 1 0 386.496 0.725 20 10 GCCDRO COC(=O)c1c(C[NH2+]C[C@@]2(CO)COCCN2C)c2cc(F)ccc2n1C ZINC000896459773 1196150215 /nfs/dbraw/zinc/15/02/15/1196150215.db2.gz PTGOBFLHGKGCNE-LJQANCHMSA-N 1 0 379.432 0.887 20 10 GCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCc3cscn3)cc2)CC1 ZINC000897401596 1197227694 /nfs/dbraw/zinc/22/76/94/1197227694.db2.gz UKSHSLUFMMNWTK-UHFFFAOYSA-N 1 0 387.509 0.870 20 10 GCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000841712080 1197380980 /nfs/dbraw/zinc/38/09/80/1197380980.db2.gz LGPAYEFVNCXRCK-KRWDZBQOSA-N 1 0 391.491 0.851 20 10 GCCDRO C[C@@H](Cn1ccnc1)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897489198 1197398041 /nfs/dbraw/zinc/39/80/41/1197398041.db2.gz CRCFFYCJVSQULF-INIZCTEOSA-N 1 0 384.484 0.456 20 10 GCCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000843261089 1199831235 /nfs/dbraw/zinc/83/12/35/1199831235.db2.gz IVDSTGOZSIGINT-OLZOCXBDSA-N 1 0 380.464 0.645 20 10 GCCDRO C[NH+](C)CCN1C[C@@H]2CCN(C(=O)CCCN3C(=O)CSC3=S)[C@@H]2C1 ZINC001273180862 1201036258 /nfs/dbraw/zinc/03/62/58/1201036258.db2.gz VJNQEFMYFFAVJV-UONOGXRCSA-N 1 0 384.571 0.721 20 10 GCCDRO COCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727031863 1201331382 /nfs/dbraw/zinc/33/13/82/1201331382.db2.gz ANAGFDVNDFGCOD-QGZVFWFLSA-N 1 0 391.516 0.766 20 10 GCCDRO COC[C@@](C)(O)CNC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000732701872 1201558018 /nfs/dbraw/zinc/55/80/18/1201558018.db2.gz VNCZERQUBFTPHI-FQEVSTJZSA-N 1 0 394.516 0.904 20 10 GCCDRO CCCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@@H]1CC(=O)N(C)C1=O ZINC000282581919 1201614046 /nfs/dbraw/zinc/61/40/46/1201614046.db2.gz WCGBNGVOWZGDKW-CYBMUJFWSA-N 1 0 389.412 0.581 20 10 GCCDRO COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)cc1 ZINC000787636143 1205396189 /nfs/dbraw/zinc/39/61/89/1205396189.db2.gz PHZCOFIKPDYHHU-BNPWSIICSA-N 1 0 398.507 0.920 20 10 GCCDRO C[NH+](C)CCOCCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000788018840 1205411710 /nfs/dbraw/zinc/41/17/10/1205411710.db2.gz VHLGOJDMOSZTCJ-KRWDZBQOSA-N 1 0 391.516 0.766 20 10 GCCDRO C[N@H+](CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000789798116 1205448133 /nfs/dbraw/zinc/44/81/33/1205448133.db2.gz GTKMCEUEHDYTAV-UHFFFAOYSA-N 1 0 378.448 0.489 20 10 GCCDRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000790194957 1205459007 /nfs/dbraw/zinc/45/90/07/1205459007.db2.gz LEUOJQPLHUVWLR-IAGOWNOFSA-N 1 0 389.544 0.930 20 10 GCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CCOC)cc2F)CC1 ZINC000805006644 1205531274 /nfs/dbraw/zinc/53/12/74/1205531274.db2.gz AEAGHVZPPQENMC-UHFFFAOYSA-N 1 0 380.464 0.689 20 10 GCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](CO)C3)cc2F)CC1 ZINC000805007742 1205531377 /nfs/dbraw/zinc/53/13/77/1205531377.db2.gz ZHEKFUJAQBOXAK-INIZCTEOSA-N 1 0 392.475 0.425 20 10 GCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000806785906 1205567249 /nfs/dbraw/zinc/56/72/49/1205567249.db2.gz ROCJCBWHLUZYQD-UHFFFAOYSA-N 1 0 389.544 0.819 20 10 GCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cnnn3C)cc2F)CC1 ZINC000810362065 1205636543 /nfs/dbraw/zinc/63/65/43/1205636543.db2.gz XFVVTBBDVIVOAM-UHFFFAOYSA-N 1 0 389.435 0.351 20 10 GCCDRO COCC[C@H]1COCCN1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000812887269 1205669893 /nfs/dbraw/zinc/66/98/93/1205669893.db2.gz SSPJTDXGORXSDB-VQTJNVASSA-N 1 0 393.528 0.915 20 10 GCCDRO CC(=O)N1CCN(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001177272464 1205766115 /nfs/dbraw/zinc/76/61/15/1205766115.db2.gz CKNMYAWIFYNTHG-UHFFFAOYSA-N 1 0 377.508 0.831 20 10 GCCDRO CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)NC1(C[NH3+])COC1)CCC2 ZINC001177957830 1205780052 /nfs/dbraw/zinc/78/00/52/1205780052.db2.gz OINQDRZAFVIGAU-UHFFFAOYSA-N 1 0 395.481 0.976 20 10 GCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CSCC(=O)N3)CC2)cc1 ZINC001180557084 1205827373 /nfs/dbraw/zinc/82/73/73/1205827373.db2.gz WNEVLRKXBAYQAD-QGZVFWFLSA-N 1 0 392.525 0.555 20 10 GCCDRO