smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300651694 1069336302 /nfs/dbraw/zinc/33/63/02/1069336302.db2.gz BVDZNVKNAHGCRI-LXFBAYGMSA-N 2 0 498.716 4.297 20 0 JIADRP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001315544582 1064547033 /nfs/dbraw/zinc/54/70/33/1064547033.db2.gz DVPRZYDKMCHLIJ-BDTNDASRSA-N 2 0 468.690 4.235 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001315558786 1064582664 /nfs/dbraw/zinc/58/26/64/1064582664.db2.gz HVFRRNHJYPIZRD-QHCPKHFHSA-N 2 0 468.671 4.285 20 0 JIADRP COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001315563770 1064592208 /nfs/dbraw/zinc/59/22/08/1064592208.db2.gz SSOIOKPQSNNMGT-JOCHJYFZSA-N 2 0 466.630 4.160 20 0 JIADRP COc1cccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001315564665 1064595130 /nfs/dbraw/zinc/59/51/30/1064595130.db2.gz VCVSNTOOHQJETG-HSZRJFAPSA-N 2 0 498.716 4.152 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315607085 1064723916 /nfs/dbraw/zinc/72/39/16/1064723916.db2.gz NANGWGZKDZQCQS-OAQYLSRUSA-N 2 0 468.671 4.239 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001315607657 1064725319 /nfs/dbraw/zinc/72/53/19/1064725319.db2.gz SOHWTIILYPLYPV-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001315630186 1064780015 /nfs/dbraw/zinc/78/00/15/1064780015.db2.gz XZIGAOHMHOLUNJ-QFIPXVFZSA-N 2 0 468.690 4.063 20 0 JIADRP COCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001316027836 1065639113 /nfs/dbraw/zinc/63/91/13/1065639113.db2.gz PWCANHHTDWQDSW-UHFFFAOYSA-N 2 0 489.108 4.268 20 0 JIADRP COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316029422 1065641959 /nfs/dbraw/zinc/64/19/59/1065641959.db2.gz XDBFQZHCMJKXNC-UHFFFAOYSA-N 2 0 495.499 4.285 20 0 JIADRP COCC[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001316074955 1065712408 /nfs/dbraw/zinc/71/24/08/1065712408.db2.gz TUTNVYKUPCLUJP-UHFFFAOYSA-N 2 0 495.137 4.113 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001316125567 1065795805 /nfs/dbraw/zinc/79/58/05/1065795805.db2.gz QMWDAHBVQBLKFP-GOSISDBHSA-N 2 0 495.499 4.283 20 0 JIADRP CSC1(Cn2c(C(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC001316398515 1066176041 /nfs/dbraw/zinc/17/60/41/1066176041.db2.gz CTWAPOPACPPJKK-UHFFFAOYSA-N 2 0 470.731 4.330 20 0 JIADRP CSC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC[NH+](C)CC1 ZINC001316402884 1066182445 /nfs/dbraw/zinc/18/24/45/1066182445.db2.gz BDJLYDDOTIAWOS-UHFFFAOYSA-N 2 0 477.122 4.393 20 0 JIADRP CSC1(Cn2c(CC(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC001316408361 1066192097 /nfs/dbraw/zinc/19/20/97/1066192097.db2.gz XOHMHGXBTIANCX-JOCHJYFZSA-N 2 0 470.731 4.015 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001492512078 1066350042 /nfs/dbraw/zinc/35/00/42/1066350042.db2.gz VEZXJDWBVSXHNZ-UHFFFAOYSA-N 2 0 467.706 4.470 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+](C)C2CCCCC2)c1 ZINC001492545371 1066733956 /nfs/dbraw/zinc/73/39/56/1066733956.db2.gz AKQUNSNNJJPFPD-UHFFFAOYSA-N 2 0 468.690 4.351 20 0 JIADRP COc1c(Br)cc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1Br ZINC001322611759 1067306221 /nfs/dbraw/zinc/30/62/21/1067306221.db2.gz VMDMOYBKPVQXOM-UHFFFAOYSA-N 2 0 497.275 4.257 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300067724 1067583855 /nfs/dbraw/zinc/58/38/55/1067583855.db2.gz SWEDIZWWAZYAEY-OAQYLSRUSA-N 2 0 484.689 4.147 20 0 JIADRP COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300070741 1067591325 /nfs/dbraw/zinc/59/13/25/1067591325.db2.gz LEOSUMISMIPTNN-XUZZJYLKSA-N 2 0 498.716 4.249 20 0 JIADRP COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300126417 1067753181 /nfs/dbraw/zinc/75/31/81/1067753181.db2.gz NLKILJQYLBPCLD-DHIUTWEWSA-N 2 0 482.717 4.113 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300375798 1068445366 /nfs/dbraw/zinc/44/53/66/1068445366.db2.gz OOZMAEYGSIJQAX-OAQYLSRUSA-N 2 0 468.690 4.431 20 0 JIADRP C[N@@H+]1C[C@@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)[C@H](c2ccccc2)C1 ZINC001474595379 1068884530 /nfs/dbraw/zinc/88/45/30/1068884530.db2.gz JTGKJIVSNIWHEW-MEOUNUOGSA-N 2 0 456.030 4.081 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300513830 1068894915 /nfs/dbraw/zinc/89/49/15/1068894915.db2.gz RLEJLICUBGDYLN-QFIPXVFZSA-N 2 0 454.663 4.137 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492569958 1069012347 /nfs/dbraw/zinc/01/23/47/1069012347.db2.gz MVBRCNXYFAIWJT-NXCFDTQHSA-N 2 0 495.760 4.225 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300557277 1069016298 /nfs/dbraw/zinc/01/62/98/1069016298.db2.gz JRHNOTNFDWXCIT-QFIPXVFZSA-N 2 0 468.690 4.109 20 0 JIADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492997 1069061637 /nfs/dbraw/zinc/06/16/37/1069061637.db2.gz IGARZWUGSJJDDX-WUFINQPMSA-N 2 0 471.649 4.035 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501149 1069072996 /nfs/dbraw/zinc/07/29/96/1069072996.db2.gz KZEOZYLXIMNLFK-ZKBLBJRCSA-N 2 0 465.686 4.028 20 0 JIADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512893 1069097474 /nfs/dbraw/zinc/09/74/74/1069097474.db2.gz MQLFOSGSFIKCKW-DPLHUUCSSA-N 2 0 494.511 4.377 20 0 JIADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164804653 721561942 /nfs/dbraw/zinc/56/19/42/721561942.db2.gz LENCKRHPJIFHHB-PFBJBMPXSA-N 2 0 453.590 4.348 20 0 JIADRP Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CC[N@@H+]3C2)c1 ZINC001164907219 721567785 /nfs/dbraw/zinc/56/77/85/721567785.db2.gz MTYGRCCPVGTKPT-PZJWPPBQSA-N 2 0 478.946 4.138 20 0 JIADRP COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[NH+](C)C)c1 ZINC001315544278 1064546420 /nfs/dbraw/zinc/54/64/20/1064546420.db2.gz CBUKSIUJRHCOCE-VRUMLPLGSA-N 2 0 498.716 4.039 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315564628 1064594535 /nfs/dbraw/zinc/59/45/35/1064594535.db2.gz WCFWOZFEENBYKX-QFIPXVFZSA-N 2 0 468.690 4.242 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001315606239 1064722171 /nfs/dbraw/zinc/72/21/71/1064722171.db2.gz BKRHNLNNFMSSBB-HSZRJFAPSA-N 2 0 468.690 4.244 20 0 JIADRP CSC1(Cn2c(-c3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316404439 1066186172 /nfs/dbraw/zinc/18/61/72/1066186172.db2.gz LPHSHEBSTJBMRB-UHFFFAOYSA-N 2 0 456.704 4.083 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001492534650 1066581552 /nfs/dbraw/zinc/58/15/52/1066581552.db2.gz JGQIJTWMTSULJC-VWLOTQADSA-N 2 0 452.691 4.228 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492543657 1066668956 /nfs/dbraw/zinc/66/89/56/1066668956.db2.gz SQVJSPDPNDLATQ-HSZRJFAPSA-N 2 0 468.690 4.066 20 0 JIADRP COc1ccncc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001300692890 1067042676 /nfs/dbraw/zinc/04/26/76/1067042676.db2.gz CGPCQVFYGWZGRG-OYRHEFFESA-N 2 0 492.668 4.240 20 0 JIADRP Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1N1CC[NH+](C)CC1 ZINC001321653862 1067190327 /nfs/dbraw/zinc/19/03/27/1067190327.db2.gz CFIWOJFBLNKBMT-HSZRJFAPSA-N 2 0 455.672 4.403 20 0 JIADRP COc1ccc([C@@H](CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)[NH+]2CCCCC2)cc1 ZINC001321654273 1067191048 /nfs/dbraw/zinc/19/10/48/1067191048.db2.gz HDDSODROYNGXEP-AREMUKBSSA-N 2 0 465.642 4.104 20 0 JIADRP COc1cc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)ccc1OCc1ccc(F)cc1 ZINC001321654918 1067191891 /nfs/dbraw/zinc/19/18/91/1067191891.db2.gz VBZLNMVOEKBEHC-UHFFFAOYSA-N 2 0 463.597 4.451 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001300068461 1067586407 /nfs/dbraw/zinc/58/64/07/1067586407.db2.gz NHRLJMGSAJNIAR-SZPZYZBQSA-N 2 0 498.716 4.249 20 0 JIADRP COc1ccc(CCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300122752 1067742167 /nfs/dbraw/zinc/74/21/67/1067742167.db2.gz JBOMITITJCUYNJ-RUZDIDTESA-N 2 0 482.717 4.113 20 0 JIADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@H](C)C1 ZINC001353377342 1068071040 /nfs/dbraw/zinc/07/10/40/1068071040.db2.gz WANQXMSPTOESRR-AZUODYCOSA-N 2 0 477.693 4.330 20 0 JIADRP COc1cccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001300342326 1068331464 /nfs/dbraw/zinc/33/14/64/1068331464.db2.gz WEIUPJOXSRTBDO-IZZNHLLZSA-N 2 0 498.716 4.388 20 0 JIADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001353667697 1068417968 /nfs/dbraw/zinc/41/79/68/1068417968.db2.gz OOCNPRZERIXJFQ-DNQXCXABSA-N 2 0 464.635 4.328 20 0 JIADRP C[N@@H+](Cc1ccccc1NC(=S)NCC[NH+]1CCCCC1)C[C@H](O)c1ccc(Cl)cc1 ZINC001200434460 1068535327 /nfs/dbraw/zinc/53/53/27/1068535327.db2.gz VGICCGOWICEXNC-QHCPKHFHSA-N 2 0 461.075 4.278 20 0 JIADRP COc1ccccc1Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300548690 1068993550 /nfs/dbraw/zinc/99/35/50/1068993550.db2.gz OBNFWLRODCYOQM-VWNXMTODSA-N 2 0 468.690 4.059 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492586515 1069003862 /nfs/dbraw/zinc/00/38/62/1069003862.db2.gz KHCAIZPWQDQDSF-DEOSSOPVSA-N 2 0 452.691 4.218 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001492587121 1069020352 /nfs/dbraw/zinc/02/03/52/1069020352.db2.gz FIJFMRUQOWKWBG-SANMLTNESA-N 2 0 466.718 4.466 20 0 JIADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483160 1069051138 /nfs/dbraw/zinc/05/11/38/1069051138.db2.gz FXHVVGWMEZHJJO-KIFXHHALSA-N 2 0 460.066 4.087 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503027 1069076796 /nfs/dbraw/zinc/07/67/96/1069076796.db2.gz UYYOHHCEROVECZ-JRAXSAEOSA-N 2 0 465.686 4.028 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849510100 1069091774 /nfs/dbraw/zinc/09/17/74/1069091774.db2.gz GZABYPRXTGUQGY-SFTDATJTSA-N 2 0 480.484 4.133 20 0 JIADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000849613971 1069275444 /nfs/dbraw/zinc/27/54/44/1069275444.db2.gz WKJXZLPDFPKYRF-MYCYEZBNSA-N 2 0 453.675 4.116 20 0 JIADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2)cc1 ZINC001200691785 1069300053 /nfs/dbraw/zinc/30/00/53/1069300053.db2.gz HSAWRFQSLYSFIK-UHFFFAOYSA-N 2 0 450.808 4.218 20 0 JIADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@@H]2C ZINC001164859536 721023698 /nfs/dbraw/zinc/02/36/98/721023698.db2.gz JCZYFRZBBUHHME-MRXNPFEDSA-N 2 0 464.992 4.275 20 0 JIADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@H]2C ZINC001164859533 721024184 /nfs/dbraw/zinc/02/41/84/721024184.db2.gz JCZYFRZBBUHHME-INIZCTEOSA-N 2 0 464.992 4.275 20 0 JIADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972435 722124878 /nfs/dbraw/zinc/12/48/78/722124878.db2.gz FICVZTZSRNGOCP-IGKIAQTJSA-N 2 0 453.590 4.207 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)C(=O)N(CC3CC3)[C@H]4c3ccccc3)c2)CC1 ZINC001164996870 722221792 /nfs/dbraw/zinc/22/17/92/722221792.db2.gz BCIOBVMNTZQYBG-SANMLTNESA-N 2 0 460.622 4.135 20 0 JIADRP CC(C)(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001359537189 1069831778 /nfs/dbraw/zinc/83/17/78/1069831778.db2.gz NVMXNZLZGHGPMP-UHFFFAOYSA-N 2 0 495.760 4.390 20 0 JIADRP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001315544583 1064547298 /nfs/dbraw/zinc/54/72/98/1064547298.db2.gz DVPRZYDKMCHLIJ-BHIFYINESA-N 2 0 468.690 4.235 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315597274 1064699696 /nfs/dbraw/zinc/69/96/96/1064699696.db2.gz BZIXYOSYZWOPTB-HSZRJFAPSA-N 2 0 468.690 4.385 20 0 JIADRP CS[C@@H]1CCCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001316426573 1066246859 /nfs/dbraw/zinc/24/68/59/1066246859.db2.gz NEJVBUUCQPBWNK-HSZRJFAPSA-N 2 0 485.746 4.196 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492515966 1066363385 /nfs/dbraw/zinc/36/33/85/1066363385.db2.gz JNRMWFGCBNEEOO-RLWLMLJZSA-N 2 0 453.679 4.080 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001492543801 1066668937 /nfs/dbraw/zinc/66/89/37/1066668937.db2.gz YNDDOSCAFVPMPO-HSZRJFAPSA-N 2 0 482.698 4.497 20 0 JIADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)cc1 ZINC001318097490 1066897846 /nfs/dbraw/zinc/89/78/46/1066897846.db2.gz SZHSTOOASCVFHP-UHFFFAOYSA-N 2 0 452.668 4.326 20 0 JIADRP Cc1ccccc1Cc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001492580321 1067324308 /nfs/dbraw/zinc/32/43/08/1067324308.db2.gz ARXOXEKVHDNOHE-UKILVPOCSA-N 2 0 452.691 4.359 20 0 JIADRP Cc1cccc(-c2nnc(N(C)C3CC[NH+](Cc4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492497317 1067337090 /nfs/dbraw/zinc/33/70/90/1067337090.db2.gz SNTGVUGOBCLHOX-UHFFFAOYSA-N 2 0 461.658 4.090 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001492582214 1067522414 /nfs/dbraw/zinc/52/24/14/1067522414.db2.gz AFHOWXVKYNKVSS-HSZRJFAPSA-N 2 0 452.691 4.265 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC[N@H+](C)C(C)C)c(OC)c1 ZINC001300071665 1067593896 /nfs/dbraw/zinc/59/38/96/1067593896.db2.gz VUASYJCAVULVLB-UHFFFAOYSA-N 2 0 484.689 4.003 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCC[NH+]2CCCCC2)c(OC)c1 ZINC001300076759 1067604792 /nfs/dbraw/zinc/60/47/92/1067604792.db2.gz TWLFRCFVGGYUBE-UHFFFAOYSA-N 2 0 498.716 4.397 20 0 JIADRP C[C@@H]1C[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001356500728 1067765265 /nfs/dbraw/zinc/76/52/65/1067765265.db2.gz FKQJOJCZOLDALY-VWNXMTODSA-N 2 0 459.638 4.142 20 0 JIADRP C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358026515 1067991311 /nfs/dbraw/zinc/99/13/11/1067991311.db2.gz CLQUCOFZPNSCQK-OAQYLSRUSA-N 2 0 452.618 4.057 20 0 JIADRP COc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300294812 1068112501 /nfs/dbraw/zinc/11/25/01/1068112501.db2.gz VGOGKJSTAORYAT-LXFBAYGMSA-N 2 0 498.716 4.154 20 0 JIADRP COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)c1 ZINC001300335726 1068308975 /nfs/dbraw/zinc/30/89/75/1068308975.db2.gz VOESMZGWGSWARZ-HSZRJFAPSA-N 2 0 454.663 4.168 20 0 JIADRP COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)[NH+](C)C)c1 ZINC001300340781 1068325185 /nfs/dbraw/zinc/32/51/85/1068325185.db2.gz OUKMZTTXZPRVFT-SANMLTNESA-N 2 0 482.717 4.490 20 0 JIADRP COc1cccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001300342324 1068331720 /nfs/dbraw/zinc/33/17/20/1068331720.db2.gz WEIUPJOXSRTBDO-CLJLJLNGSA-N 2 0 498.716 4.388 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501142 1069073088 /nfs/dbraw/zinc/07/30/88/1069073088.db2.gz KZEOZYLXIMNLFK-HXABMTEBSA-N 2 0 465.686 4.028 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559663 1069209208 /nfs/dbraw/zinc/20/92/08/1069209208.db2.gz VRRNFQOSAMWCDP-WDYNHAJCSA-N 2 0 487.692 4.395 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849598853 1069256055 /nfs/dbraw/zinc/25/60/55/1069256055.db2.gz HSDKKWMRJAKRDV-IARZGTGTSA-N 2 0 491.724 4.383 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849598854 1069256174 /nfs/dbraw/zinc/25/61/74/1069256174.db2.gz HSDKKWMRJAKRDV-KCHLEUMXSA-N 2 0 491.724 4.383 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606011 1069262384 /nfs/dbraw/zinc/26/23/84/1069262384.db2.gz LGILVDSJRPZLFP-BJKOFHAPSA-N 2 0 455.672 4.061 20 0 JIADRP CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835778 720526229 /nfs/dbraw/zinc/52/62/29/720526229.db2.gz LGZUMXHOTGQIIO-UNCTUWKVSA-N 2 0 470.665 4.214 20 0 JIADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N(c2nc3c(cc2C(=O)NCC2CC2)CC[NH2+]CC3)C(C)C)nc1 ZINC001164998276 722220482 /nfs/dbraw/zinc/22/04/82/722220482.db2.gz IADBXTHEJCWWBM-SANMLTNESA-N 2 0 490.696 4.398 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001300643732 1069314357 /nfs/dbraw/zinc/31/43/57/1069314357.db2.gz RVPQZDMTEUETHA-UHFFFAOYSA-N 2 0 484.689 4.097 20 0 JIADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccc(Br)cc1OC(F)(F)F ZINC001200710728 1069352322 /nfs/dbraw/zinc/35/23/22/1069352322.db2.gz HIEZQEOPJSMSKK-UHFFFAOYSA-N 2 0 485.414 4.250 20 0 JIADRP COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001300676211 1069423396 /nfs/dbraw/zinc/42/33/96/1069423396.db2.gz BYUPUAZMZIPALT-JOCHJYFZSA-N 2 0 486.730 4.231 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001359547480 1069853010 /nfs/dbraw/zinc/85/30/10/1069853010.db2.gz QWJFMZQTBBPUSN-UHFFFAOYSA-N 2 0 486.680 4.430 20 0 JIADRP CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359548237 1069854869 /nfs/dbraw/zinc/85/48/69/1069854869.db2.gz SQYDSNBUFBLWHF-HSZRJFAPSA-N 2 0 460.711 4.487 20 0 JIADRP CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359548869 1069856522 /nfs/dbraw/zinc/85/65/22/1069856522.db2.gz UCAXKHWGHONLTQ-UHFFFAOYSA-N 2 0 492.510 4.221 20 0 JIADRP CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359549581 1069857496 /nfs/dbraw/zinc/85/74/96/1069857496.db2.gz ULUXXFSQLSKCAM-UHFFFAOYSA-N 2 0 463.457 4.434 20 0 JIADRP CC(C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359696257 1070354876 /nfs/dbraw/zinc/35/48/76/1070354876.db2.gz HIIUEVCGNMQFJC-JOCHJYFZSA-N 2 0 474.719 4.095 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001315558581 1064581297 /nfs/dbraw/zinc/58/12/97/1064581297.db2.gz CCZODZXZBPSBNA-XMMPIXPASA-N 2 0 468.690 4.385 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001315558579 1064581659 /nfs/dbraw/zinc/58/16/59/1064581659.db2.gz CCZODZXZBPSBNA-DEOSSOPVSA-N 2 0 468.690 4.385 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001315558736 1064581966 /nfs/dbraw/zinc/58/19/66/1064581966.db2.gz GJKOXAXSZCAUFJ-XMMPIXPASA-N 2 0 454.663 4.041 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001315558785 1064582752 /nfs/dbraw/zinc/58/27/52/1064582752.db2.gz HVFRRNHJYPIZRD-HSZRJFAPSA-N 2 0 468.671 4.285 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315629908 1064779272 /nfs/dbraw/zinc/77/92/72/1064779272.db2.gz QSIZEAPMXXGIND-JOCHJYFZSA-N 2 0 482.717 4.309 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC001315703225 1064967594 /nfs/dbraw/zinc/96/75/94/1064967594.db2.gz HODZNBKVKCMXHF-UHFFFAOYSA-N 2 0 488.765 4.457 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001316125359 1065795881 /nfs/dbraw/zinc/79/58/81/1065795881.db2.gz NMQKOECDNJLFDO-RTBURBONSA-N 2 0 495.499 4.141 20 0 JIADRP CSc1ccccc1CN(C)c1nnc(C(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001316419916 1066223222 /nfs/dbraw/zinc/22/32/22/1066223222.db2.gz MOEHIWVCRPEWCZ-UHFFFAOYSA-N 2 0 479.698 4.367 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001492543658 1066668894 /nfs/dbraw/zinc/66/88/94/1066668894.db2.gz SQVJSPDPNDLATQ-QHCPKHFHSA-N 2 0 468.690 4.066 20 0 JIADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001322481374 1067298886 /nfs/dbraw/zinc/29/88/86/1067298886.db2.gz QGBYRFJPMMNFJB-UHFFFAOYSA-N 2 0 471.649 4.166 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300043543 1067482971 /nfs/dbraw/zinc/48/29/71/1067482971.db2.gz GSFMUENTPOCPRS-DEOSSOPVSA-N 2 0 484.689 4.050 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300061586 1067565410 /nfs/dbraw/zinc/56/54/10/1067565410.db2.gz KGQUCICQYWSPHH-QFIPXVFZSA-N 2 0 498.716 4.393 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300067782 1067584834 /nfs/dbraw/zinc/58/48/34/1067584834.db2.gz VLRRZUAZXRSMTR-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC001200105935 1067629597 /nfs/dbraw/zinc/62/95/97/1067629597.db2.gz QLQNHSDPRGZGED-JOCHJYFZSA-N 2 0 457.460 4.350 20 0 JIADRP C[C@H]1CN([C@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000849058190 1067789479 /nfs/dbraw/zinc/78/94/79/1067789479.db2.gz VCCFGJPEKQFDOO-YADARESESA-N 2 0 488.051 4.019 20 0 JIADRP C[C@H]1CN([C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000849058187 1067789545 /nfs/dbraw/zinc/78/95/45/1067789545.db2.gz VCCFGJPEKQFDOO-CYFREDJKSA-N 2 0 488.051 4.019 20 0 JIADRP [NH2+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849067013 1067794656 /nfs/dbraw/zinc/79/46/56/1067794656.db2.gz XNCWZVXQUDHDRX-HXUWFJFHSA-N 2 0 470.459 4.054 20 0 JIADRP [NH2+]=C(NCC1(c2ccc(Br)cc2)CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849072055 1067796794 /nfs/dbraw/zinc/79/67/94/1067796794.db2.gz DSNLGLZKULXJPA-UHFFFAOYSA-N 2 0 485.470 4.276 20 0 JIADRP CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001473597040 1068263000 /nfs/dbraw/zinc/26/30/00/1068263000.db2.gz MFQMTKIYSXXGAV-ZEQKJWHPSA-N 2 0 457.659 4.125 20 0 JIADRP COc1cccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300339755 1068320233 /nfs/dbraw/zinc/32/02/33/1068320233.db2.gz IVBVJFIVOJJXHV-RUZDIDTESA-N 2 0 491.684 4.271 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001300507057 1068880774 /nfs/dbraw/zinc/88/07/74/1068880774.db2.gz HUOOPOUNJMJNEN-UHFFFAOYSA-N 2 0 456.679 4.383 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849503026 1069075923 /nfs/dbraw/zinc/07/59/23/1069075923.db2.gz UYYOHHCEROVECZ-IMIIGWPFSA-N 2 0 465.686 4.028 20 0 JIADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600416 1069256322 /nfs/dbraw/zinc/25/63/22/1069256322.db2.gz HGMSTTOWNVSSQN-UPRLRBBYSA-N 2 0 477.697 4.139 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849611149 1069270803 /nfs/dbraw/zinc/27/08/03/1069270803.db2.gz UGKMSTYXRXDNEK-RPBOFIJWSA-N 2 0 474.093 4.258 20 0 JIADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000849613968 1069275341 /nfs/dbraw/zinc/27/53/41/1069275341.db2.gz WKJXZLPDFPKYRF-JLZPKONASA-N 2 0 453.675 4.116 20 0 JIADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164710547 720146253 /nfs/dbraw/zinc/14/62/53/720146253.db2.gz CFHMXOBRPSVPDA-HSZRJFAPSA-N 2 0 462.594 4.155 20 0 JIADRP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164754570 720893015 /nfs/dbraw/zinc/89/30/15/720893015.db2.gz JLUWEBPWLYDZRB-GIGWZHCTSA-N 2 0 488.632 4.402 20 0 JIADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972436 722125085 /nfs/dbraw/zinc/12/50/85/722125085.db2.gz FICVZTZSRNGOCP-RPLLCQBOSA-N 2 0 453.590 4.207 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300651693 1069336229 /nfs/dbraw/zinc/33/62/29/1069336229.db2.gz BVDZNVKNAHGCRI-FIPFOOKPSA-N 2 0 498.716 4.297 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC001359545918 1069849139 /nfs/dbraw/zinc/84/91/39/1069849139.db2.gz KVVKJMQGPKSUFE-VWLOTQADSA-N 2 0 496.744 4.139 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001359546716 1069851323 /nfs/dbraw/zinc/85/13/23/1069851323.db2.gz NSEBDUHSBOISJS-JOCHJYFZSA-N 2 0 460.711 4.200 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001315564627 1064594597 /nfs/dbraw/zinc/59/45/97/1064594597.db2.gz WCFWOZFEENBYKX-JOCHJYFZSA-N 2 0 468.690 4.242 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315600310 1064707202 /nfs/dbraw/zinc/70/72/02/1064707202.db2.gz OFINTLIAAGBEQZ-ZBLYBZFDSA-N 2 0 468.690 4.431 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001315630185 1064779849 /nfs/dbraw/zinc/77/98/49/1064779849.db2.gz XZIGAOHMHOLUNJ-JOCHJYFZSA-N 2 0 468.690 4.063 20 0 JIADRP COc1ccccc1SCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+](C)C(C)C ZINC001315666067 1064881142 /nfs/dbraw/zinc/88/11/42/1064881142.db2.gz VINYUJZOICYIBB-UHFFFAOYSA-N 2 0 474.719 4.230 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001316129096 1065801012 /nfs/dbraw/zinc/80/10/12/1065801012.db2.gz LUVZRHJGSZGVPS-FQEVSTJZSA-N 2 0 475.081 4.020 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001492546477 1066826620 /nfs/dbraw/zinc/82/66/20/1066826620.db2.gz WOISAAVCHOHTOE-VWLOTQADSA-N 2 0 468.690 4.206 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001492546528 1066828341 /nfs/dbraw/zinc/82/83/41/1066828341.db2.gz XROOQGAJDCMNBT-HSZRJFAPSA-N 2 0 482.698 4.450 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001492547144 1066915031 /nfs/dbraw/zinc/91/50/31/1066915031.db2.gz PKLIZOXBVPCWJU-HSZRJFAPSA-N 2 0 482.698 4.308 20 0 JIADRP O=C(CSCC(=O)Nc1cccc(C[NH+]2CCCC2)c1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318303494 1067008294 /nfs/dbraw/zinc/00/82/94/1067008294.db2.gz CYUYFEIBRPRNRR-UHFFFAOYSA-N 2 0 466.651 4.189 20 0 JIADRP CCCOc1c(Br)cc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1OC ZINC001318419056 1067041204 /nfs/dbraw/zinc/04/12/04/1067041204.db2.gz QQTICOWFPFTTPZ-UHFFFAOYSA-N 2 0 476.459 4.284 20 0 JIADRP COc1ccncc1Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300695079 1067050932 /nfs/dbraw/zinc/05/09/32/1067050932.db2.gz KHZHUHRAXWTUPI-UHFFFAOYSA-N 2 0 462.642 4.216 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300043659 1067483061 /nfs/dbraw/zinc/48/30/61/1067483061.db2.gz HUYGLCBSFSFOHU-OAQYLSRUSA-N 2 0 454.663 4.185 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001300053331 1067526868 /nfs/dbraw/zinc/52/68/68/1067526868.db2.gz IGSKJJJFLKMNLG-HSZRJFAPSA-N 2 0 498.716 4.251 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300062145 1067568332 /nfs/dbraw/zinc/56/83/32/1067568332.db2.gz WTORJXOICVXIGY-UHFFFAOYSA-N 2 0 486.705 4.392 20 0 JIADRP COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300119838 1067734860 /nfs/dbraw/zinc/73/48/60/1067734860.db2.gz KJKPQCURKKJKQJ-QHCPKHFHSA-N 2 0 482.717 4.159 20 0 JIADRP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000849058728 1067788978 /nfs/dbraw/zinc/78/89/78/1067788978.db2.gz PMGKJJPDJYMKLY-UHFFFAOYSA-N 2 0 459.594 4.162 20 0 JIADRP [NH2+]=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849061604 1067791092 /nfs/dbraw/zinc/79/10/92/1067791092.db2.gz QNXLEQGASLRYRB-HSZRJFAPSA-N 2 0 458.025 4.395 20 0 JIADRP COc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300294813 1068111251 /nfs/dbraw/zinc/11/12/51/1068111251.db2.gz VGOGKJSTAORYAT-NEKDWFFYSA-N 2 0 498.716 4.154 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001300387986 1068494587 /nfs/dbraw/zinc/49/45/87/1068494587.db2.gz GAOKRGPIOKLKOJ-VXKWHMMOSA-N 2 0 468.690 4.242 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001300505191 1068876066 /nfs/dbraw/zinc/87/60/66/1068876066.db2.gz AMRBJUYONRIKHP-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001492587120 1069020607 /nfs/dbraw/zinc/02/06/07/1069020607.db2.gz FIJFMRUQOWKWBG-AREMUKBSSA-N 2 0 466.718 4.466 20 0 JIADRP CCCN(C(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849515850 1069102652 /nfs/dbraw/zinc/10/26/52/1069102652.db2.gz MXHSQJUKSZWOKO-PFBJBMPXSA-N 2 0 465.686 4.137 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556115 1069201587 /nfs/dbraw/zinc/20/15/87/1069201587.db2.gz VNFSIGHJTIHRLV-KAYWLYCHSA-N 2 0 477.697 4.281 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556125 1069202538 /nfs/dbraw/zinc/20/25/38/1069202538.db2.gz VNFSIGHJTIHRLV-SVBPBHIXSA-N 2 0 477.697 4.281 20 0 JIADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164972437 722125206 /nfs/dbraw/zinc/12/52/06/722125206.db2.gz FICVZTZSRNGOCP-SHQCIBLASA-N 2 0 453.590 4.207 20 0 JIADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCC[C@H]2CO)CC1 ZINC001359548007 1069854344 /nfs/dbraw/zinc/85/43/44/1069854344.db2.gz KYXPHLFKQJEAGV-NRFANRHFSA-N 2 0 489.108 4.146 20 0 JIADRP COc1cccc([C@H](Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[NH+](C)C)c1 ZINC001315548196 1064559358 /nfs/dbraw/zinc/55/93/58/1064559358.db2.gz XMTAJZPSUDHNCH-RLWLMLJZSA-N 2 0 468.690 4.379 20 0 JIADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003699 1066355413 /nfs/dbraw/zinc/35/54/13/1066355413.db2.gz RKGXYAPOPUHMHM-QFIPXVFZSA-N 2 0 459.516 4.391 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)c1 ZINC001492534684 1066582254 /nfs/dbraw/zinc/58/22/54/1066582254.db2.gz KJUNQJHFBNDJPV-UHFFFAOYSA-N 2 0 452.691 4.471 20 0 JIADRP C[NH+](C)C[C@@H]1CN(Cc2cccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)n2)C[C@H]1C[NH+](C)C ZINC001474665319 1066628121 /nfs/dbraw/zinc/62/81/21/1066628121.db2.gz ZJSVMMZMMRAWIX-FGZHOGPDSA-N 2 0 467.658 4.267 20 0 JIADRP COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC001474737187 1067070707 /nfs/dbraw/zinc/07/07/07/1067070707.db2.gz OTRCZNIDIDJMST-UHFFFAOYSA-N 2 0 451.398 4.462 20 0 JIADRP COc1ccccc1[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[NH+]1CCCC1 ZINC001323085776 1067313576 /nfs/dbraw/zinc/31/35/76/1067313576.db2.gz KIWQRDPEGZBUBX-VWLOTQADSA-N 2 0 450.627 4.058 20 0 JIADRP Cc1cccc(-c2nnc(N(C)[C@@H]3CCC[NH+](Cc4ccccc4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492497286 1067336561 /nfs/dbraw/zinc/33/65/61/1067336561.db2.gz SFGBFGMXSKNMMI-RUZDIDTESA-N 2 0 475.685 4.480 20 0 JIADRP COc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001300040635 1067463452 /nfs/dbraw/zinc/46/34/52/1067463452.db2.gz XQWKAFHEUIWCRQ-UHFFFAOYSA-N 2 0 498.716 4.393 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300061438 1067564103 /nfs/dbraw/zinc/56/41/03/1067564103.db2.gz HROYIFIOGGJEAV-JOCHJYFZSA-N 2 0 484.689 4.003 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)cc1OC ZINC001300061466 1067564837 /nfs/dbraw/zinc/56/48/37/1067564837.db2.gz ICGHTNJERQYLHD-UHFFFAOYSA-N 2 0 484.689 4.147 20 0 JIADRP COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300126419 1067753629 /nfs/dbraw/zinc/75/36/29/1067753629.db2.gz NLKILJQYLBPCLD-GOTSBHOMSA-N 2 0 482.717 4.113 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492585389 1067827731 /nfs/dbraw/zinc/82/77/31/1067827731.db2.gz FPXBKUVNCFTBDB-XMMPIXPASA-N 2 0 466.699 4.462 20 0 JIADRP COc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001300294399 1068109301 /nfs/dbraw/zinc/10/93/01/1068109301.db2.gz HFSBELTYYHNWBA-UHFFFAOYSA-N 2 0 484.689 4.051 20 0 JIADRP COc1cccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300339758 1068320358 /nfs/dbraw/zinc/32/03/58/1068320358.db2.gz IVBVJFIVOJJXHV-VWLOTQADSA-N 2 0 491.684 4.271 20 0 JIADRP COc1cccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)c1 ZINC001300340101 1068321547 /nfs/dbraw/zinc/32/15/47/1068321547.db2.gz KROUUHOSGSJEBC-RUZDIDTESA-N 2 0 468.690 4.100 20 0 JIADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000849507860 1069089863 /nfs/dbraw/zinc/08/98/63/1069089863.db2.gz FXIIYNAPGPEWRM-WXFUMESZSA-N 2 0 493.618 4.452 20 0 JIADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512896 1069097774 /nfs/dbraw/zinc/09/77/74/1069097774.db2.gz MQLFOSGSFIKCKW-LGVFNWMJSA-N 2 0 494.511 4.377 20 0 JIADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512895 1069097951 /nfs/dbraw/zinc/09/79/51/1069097951.db2.gz MQLFOSGSFIKCKW-IMSXRSKXSA-N 2 0 494.511 4.377 20 0 JIADRP Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CC[N@@H+]3C2)c1 ZINC001164907218 721568084 /nfs/dbraw/zinc/56/80/84/721568084.db2.gz MTYGRCCPVGTKPT-FPOVZHCZSA-N 2 0 478.946 4.138 20 0 JIADRP Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CC[N@@H+]3C2)c1 ZINC001164907220 721568111 /nfs/dbraw/zinc/56/81/11/721568111.db2.gz MTYGRCCPVGTKPT-TZIWHRDSSA-N 2 0 478.946 4.138 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963946 722025753 /nfs/dbraw/zinc/02/57/53/722025753.db2.gz UTWIAVLGEBKFDF-PPJWLVRDSA-N 2 0 450.631 4.166 20 0 JIADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962566 722060564 /nfs/dbraw/zinc/06/05/64/722060564.db2.gz UNBIQTJRNRROAM-UHFFFAOYSA-N 2 0 457.622 4.349 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300651964 1069337997 /nfs/dbraw/zinc/33/79/97/1069337997.db2.gz HRUGLYAVFKCNIT-HSZRJFAPSA-N 2 0 498.716 4.441 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001359545917 1069849299 /nfs/dbraw/zinc/84/92/99/1069849299.db2.gz KVVKJMQGPKSUFE-RUZDIDTESA-N 2 0 496.744 4.139 20 0 JIADRP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001315545310 1064550145 /nfs/dbraw/zinc/55/01/45/1064550145.db2.gz NDYGUDVMQODBNE-JOCHJYFZSA-N 2 0 479.673 4.284 20 0 JIADRP COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)c1 ZINC001315548031 1064558521 /nfs/dbraw/zinc/55/85/21/1064558521.db2.gz WWMPHZIFFMRECN-DEOSSOPVSA-N 2 0 468.690 4.243 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001316129097 1065801153 /nfs/dbraw/zinc/80/11/53/1065801153.db2.gz LUVZRHJGSZGVPS-HXUWFJFHSA-N 2 0 475.081 4.020 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001316133771 1065802473 /nfs/dbraw/zinc/80/24/73/1065802473.db2.gz PVZYPHPGLAJSQF-UKILVPOCSA-N 2 0 482.717 4.169 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCC[NH+]2CCCC[C@@H]2C)n1 ZINC001492511761 1066347378 /nfs/dbraw/zinc/34/73/78/1066347378.db2.gz IQZTVKOZPKTTMV-QHCPKHFHSA-N 2 0 467.706 4.470 20 0 JIADRP C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3CCC[NH+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001316504101 1066473131 /nfs/dbraw/zinc/47/31/31/1066473131.db2.gz KDQAKHNOYFZQLU-PSWAGMNNSA-N 2 0 496.744 4.423 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001492546476 1066826677 /nfs/dbraw/zinc/82/66/77/1066826677.db2.gz WOISAAVCHOHTOE-RUZDIDTESA-N 2 0 468.690 4.206 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001492547188 1066916024 /nfs/dbraw/zinc/91/60/24/1066916024.db2.gz QPVGBYAICSDCOW-KCWPFWIISA-N 2 0 468.690 4.206 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001492547190 1066916571 /nfs/dbraw/zinc/91/65/71/1066916571.db2.gz QPVGBYAICSDCOW-YIXXDRMTSA-N 2 0 468.690 4.206 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001492547211 1066917328 /nfs/dbraw/zinc/91/73/28/1066917328.db2.gz RCAPLCHLMZIRBS-QFIPXVFZSA-N 2 0 468.671 4.060 20 0 JIADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3cccnc3)c2)CC1 ZINC001318340390 1067024244 /nfs/dbraw/zinc/02/42/44/1067024244.db2.gz NIWIGYLKAJBLLE-UHFFFAOYSA-N 2 0 466.633 4.031 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001300786581 1067349213 /nfs/dbraw/zinc/34/92/13/1067349213.db2.gz QYQBNNGCKFQMDA-UHFFFAOYSA-N 2 0 496.744 4.468 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300043636 1067483517 /nfs/dbraw/zinc/48/35/17/1067483517.db2.gz HCLNWATUSFLEOV-NRFANRHFSA-N 2 0 454.663 4.185 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC001300044097 1067486468 /nfs/dbraw/zinc/48/64/68/1067486468.db2.gz MREJRDGMYOZWNQ-VWLOTQADSA-N 2 0 498.716 4.440 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001300061431 1067564242 /nfs/dbraw/zinc/56/42/42/1067564242.db2.gz HKXKBSXTHYNKML-UHFFFAOYSA-N 2 0 468.690 4.386 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300062691 1067570891 /nfs/dbraw/zinc/57/08/91/1067570891.db2.gz IUKIOVQAFBGOPK-DEOSSOPVSA-N 2 0 498.716 4.393 20 0 JIADRP COc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000849070915 1067796364 /nfs/dbraw/zinc/79/63/64/1067796364.db2.gz PGBXTZFDFPAHNP-UHFFFAOYSA-N 2 0 479.547 4.261 20 0 JIADRP COc1ccc(Oc2ccc(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2)cc1 ZINC001200346639 1068167390 /nfs/dbraw/zinc/16/73/90/1068167390.db2.gz PNWQMKHPVVKGHL-XMMPIXPASA-N 2 0 459.590 4.475 20 0 JIADRP COc1cccc([C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)c1 ZINC001300335598 1068307761 /nfs/dbraw/zinc/30/77/61/1068307761.db2.gz UQCQKGKBYUTUEX-QHCPKHFHSA-N 2 0 498.075 4.083 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492567295 1068832219 /nfs/dbraw/zinc/83/22/19/1068832219.db2.gz BRCLFXSQKMVBQU-RUZDIDTESA-N 2 0 456.704 4.001 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001300567984 1069064289 /nfs/dbraw/zinc/06/42/89/1069064289.db2.gz QSQCNXZYAQECGG-UHFFFAOYSA-N 2 0 482.717 4.310 20 0 JIADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)CC1 ZINC001200631401 1069111735 /nfs/dbraw/zinc/11/17/35/1069111735.db2.gz RUBKQPSWTVEOKJ-UHFFFAOYSA-N 2 0 457.622 4.180 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525960 1069123004 /nfs/dbraw/zinc/12/30/04/1069123004.db2.gz PUTBDMOEADPDGM-NSOVKSMOSA-N 2 0 479.713 4.085 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849574483 1069225090 /nfs/dbraw/zinc/22/50/90/1069225090.db2.gz YJZUIMFLGFOCCX-CLJLJLNGSA-N 2 0 451.659 4.147 20 0 JIADRP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592011 1069244110 /nfs/dbraw/zinc/24/41/10/1069244110.db2.gz MFYKIAIHGALLCX-KMDXXIMOSA-N 2 0 460.066 4.087 20 0 JIADRP [NH3+]C1([C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]2CF)CC1 ZINC001164620732 719121487 /nfs/dbraw/zinc/12/14/87/719121487.db2.gz JSXWRKNLQUVGLR-DENIHFKCSA-N 2 0 471.020 4.270 20 0 JIADRP COc1cc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164754568 720893417 /nfs/dbraw/zinc/89/34/17/720893417.db2.gz JLUWEBPWLYDZRB-FUFSCUOVSA-N 2 0 488.632 4.402 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300653681 1069343443 /nfs/dbraw/zinc/34/34/43/1069343443.db2.gz YLGJCRSROIHHTM-HSZRJFAPSA-N 2 0 484.689 4.051 20 0 JIADRP COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001300677372 1069430588 /nfs/dbraw/zinc/43/05/88/1069430588.db2.gz WCWLNEMDXSVDGS-UHFFFAOYSA-N 2 0 486.730 4.278 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001359545855 1069849321 /nfs/dbraw/zinc/84/93/21/1069849321.db2.gz IKOJDSDKXLKUCE-UHFFFAOYSA-N 2 0 452.691 4.192 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359546489 1069850306 /nfs/dbraw/zinc/85/03/06/1069850306.db2.gz GVIHJAZRUVSEBE-UHFFFAOYSA-N 2 0 457.066 4.419 20 0 JIADRP CC(C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001359658575 1070258073 /nfs/dbraw/zinc/25/80/73/1070258073.db2.gz DQNDFIACEZZXDA-VWLOTQADSA-N 2 0 482.717 4.130 20 0 JIADRP CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359658904 1070260134 /nfs/dbraw/zinc/26/01/34/1070260134.db2.gz LHBNRUDLWJAHGS-NRFANRHFSA-N 2 0 474.097 4.425 20 0 JIADRP COc1cccc([C@H](Cn2c(-c3cccn3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)[NH+](C)C)c1 ZINC001315545888 1064552058 /nfs/dbraw/zinc/55/20/58/1064552058.db2.gz DWTORXHRGOBHEN-VWLOTQADSA-N 2 0 493.700 4.153 20 0 JIADRP COc1cccc([C@@H](Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[NH+](C)C)c1 ZINC001315548195 1064559122 /nfs/dbraw/zinc/55/91/22/1064559122.db2.gz XMTAJZPSUDHNCH-QFQXNSOFSA-N 2 0 468.690 4.379 20 0 JIADRP COc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001315557963 1064579302 /nfs/dbraw/zinc/57/93/02/1064579302.db2.gz OCTVASXFDLWYMZ-JOCHJYFZSA-N 2 0 468.690 4.242 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001315703943 1064969474 /nfs/dbraw/zinc/96/94/74/1064969474.db2.gz HLGVCINJZVVLCX-UHFFFAOYSA-N 2 0 496.744 4.263 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001315705800 1064976127 /nfs/dbraw/zinc/97/61/27/1064976127.db2.gz UHUVRFIJTKWBAZ-UHFFFAOYSA-N 2 0 486.680 4.284 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[NH+](C)C(C)C)C[C@H]1C ZINC001316125444 1065795276 /nfs/dbraw/zinc/79/52/76/1065795276.db2.gz JVOFWIXTSLBHQP-OAQYLSRUSA-N 2 0 488.746 4.163 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001316133773 1065802379 /nfs/dbraw/zinc/80/23/79/1065802379.db2.gz PVZYPHPGLAJSQF-ZCYQVOJMSA-N 2 0 482.717 4.169 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492510909 1066342886 /nfs/dbraw/zinc/34/28/86/1066342886.db2.gz GRNNVTNPISIMPQ-SZPZYZBQSA-N 2 0 467.706 4.373 20 0 JIADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003698 1066354992 /nfs/dbraw/zinc/35/49/92/1066354992.db2.gz RKGXYAPOPUHMHM-JOCHJYFZSA-N 2 0 459.516 4.391 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492515962 1066363645 /nfs/dbraw/zinc/36/36/45/1066363645.db2.gz JNRMWFGCBNEEOO-LVXARBLLSA-N 2 0 453.679 4.080 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(-c4cccn4C)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492535038 1066583065 /nfs/dbraw/zinc/58/30/65/1066583065.db2.gz XZIQGZXZJORJCC-UHFFFAOYSA-N 2 0 463.674 4.033 20 0 JIADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001317853669 1066734069 /nfs/dbraw/zinc/73/40/69/1066734069.db2.gz XFGSRFMPWNDQQY-DNQXCXABSA-N 2 0 490.604 4.006 20 0 JIADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)C1 ZINC001322611714 1067306709 /nfs/dbraw/zinc/30/67/09/1067306709.db2.gz SRWQPPHAOVGIDK-SFHVURJKSA-N 2 0 463.981 4.327 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001300787556 1067351449 /nfs/dbraw/zinc/35/14/49/1067351449.db2.gz VBEYJHIRTOUHQH-QHCPKHFHSA-N 2 0 482.717 4.176 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)c(OC)c1 ZINC001300074474 1067598177 /nfs/dbraw/zinc/59/81/77/1067598177.db2.gz GQQYEHNZZQQQSB-UHFFFAOYSA-N 2 0 486.705 4.108 20 0 JIADRP C[C@@H]1CN([C@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000849058189 1067789519 /nfs/dbraw/zinc/78/95/19/1067789519.db2.gz VCCFGJPEKQFDOO-NTKDMRAZSA-N 2 0 488.051 4.019 20 0 JIADRP CC1(C)CN([C@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000849073248 1067796775 /nfs/dbraw/zinc/79/67/75/1067796775.db2.gz ZEALICAEAHUSLW-RUZDIDTESA-N 2 0 484.088 4.270 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001492585648 1068126026 /nfs/dbraw/zinc/12/60/26/1068126026.db2.gz LEVMYHOEMLUDCS-HSZRJFAPSA-N 2 0 452.691 4.220 20 0 JIADRP COc1cccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)C)CC2)[NH+](C)C)c1 ZINC001300338279 1068315905 /nfs/dbraw/zinc/31/59/05/1068315905.db2.gz AUNGOSRBPKEYTO-DSNGMDLFSA-N 2 0 498.716 4.039 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001300374665 1068440473 /nfs/dbraw/zinc/44/04/73/1068440473.db2.gz JLUPCPFQXHRROA-NRFANRHFSA-N 2 0 454.663 4.185 20 0 JIADRP CCC(CC)(CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000849545901 1069182064 /nfs/dbraw/zinc/18/20/64/1069182064.db2.gz YIIFIQVIAVMYTA-FTBPSBKWSA-N 2 0 453.675 4.260 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849607970 1069265312 /nfs/dbraw/zinc/26/53/12/1069265312.db2.gz MMIJODCPOVMAJP-RTWAWAEBSA-N 2 0 466.655 4.077 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607893 1069265383 /nfs/dbraw/zinc/26/53/83/1069265383.db2.gz ZPJYLLSMMADBNB-JWQCQUIFSA-N 2 0 469.699 4.451 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849611148 1069270434 /nfs/dbraw/zinc/27/04/34/1069270434.db2.gz UGKMSTYXRXDNEK-LOSJGSFVSA-N 2 0 474.093 4.258 20 0 JIADRP [NH3+]C1CC2(C1)CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)CC2 ZINC001164386683 718802218 /nfs/dbraw/zinc/80/22/18/718802218.db2.gz DJCMFXQZFKJHBJ-UHFFFAOYSA-N 2 0 467.013 4.104 20 0 JIADRP [NH3+]C1([C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]2CF)CC1 ZINC001164620737 719121372 /nfs/dbraw/zinc/12/13/72/719121372.db2.gz JSXWRKNLQUVGLR-KNQAVFIVSA-N 2 0 471.020 4.270 20 0 JIADRP C[NH+]1CCC(C[NH+]2CCN(C(=S)Nc3ccc(Br)cc3OC(F)(F)F)CC2)CC1 ZINC001200714410 1069367127 /nfs/dbraw/zinc/36/71/27/1069367127.db2.gz SKQJPTLRHRTMNR-UHFFFAOYSA-N 2 0 495.409 4.004 20 0 JIADRP CC(C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001359658574 1070256520 /nfs/dbraw/zinc/25/65/20/1070256520.db2.gz DQNDFIACEZZXDA-RUZDIDTESA-N 2 0 482.717 4.130 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001315531135 1064516043 /nfs/dbraw/zinc/51/60/43/1064516043.db2.gz SDJKXJPSXJUWOP-QFIPXVFZSA-N 2 0 486.705 4.153 20 0 JIADRP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4cccnc4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315545075 1064548697 /nfs/dbraw/zinc/54/86/97/1064548697.db2.gz KKJQPUNLNURUPE-WIOPSUGQSA-N 2 0 491.684 4.208 20 0 JIADRP COc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001315557966 1064579486 /nfs/dbraw/zinc/57/94/86/1064579486.db2.gz OCTVASXFDLWYMZ-QFIPXVFZSA-N 2 0 468.690 4.242 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001315563178 1064590760 /nfs/dbraw/zinc/59/07/60/1064590760.db2.gz LWUQEJJKAALZEX-VXKWHMMOSA-N 2 0 468.690 4.241 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001316130455 1065801913 /nfs/dbraw/zinc/80/19/13/1065801913.db2.gz WVBVOBSYDNCBNW-QFIPXVFZSA-N 2 0 489.108 4.268 20 0 JIADRP CSC1(Cn2c(-c3ccccc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316404977 1066187175 /nfs/dbraw/zinc/18/71/75/1066187175.db2.gz USQBAQGQRXSHOE-UHFFFAOYSA-N 2 0 474.694 4.222 20 0 JIADRP C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3CC[NH+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC001316504816 1066476395 /nfs/dbraw/zinc/47/63/95/1066476395.db2.gz RHZGJQASMLNOIA-SZPZYZBQSA-N 2 0 474.738 4.166 20 0 JIADRP Cc1cccc(-c2nnc(N(C)[C@H]3CCC[NH+](Cc4ccccc4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492497287 1067336439 /nfs/dbraw/zinc/33/64/39/1067336439.db2.gz SFGBFGMXSKNMMI-VWLOTQADSA-N 2 0 475.685 4.480 20 0 JIADRP Cc1cccc(-c2nnc(N(C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492497540 1067338640 /nfs/dbraw/zinc/33/86/40/1067338640.db2.gz ZZSCCUXPXSQOGT-ZCYQVOJMSA-N 2 0 475.685 4.478 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300074048 1067597714 /nfs/dbraw/zinc/59/77/14/1067597714.db2.gz CRICJSMMLXQXAE-HSZRJFAPSA-N 2 0 468.690 4.386 20 0 JIADRP C[C@H]1C[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001356500726 1067765335 /nfs/dbraw/zinc/76/53/35/1067765335.db2.gz FKQJOJCZOLDALY-LADGPHEKSA-N 2 0 459.638 4.142 20 0 JIADRP COc1ccccc1[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000849060567 1067790492 /nfs/dbraw/zinc/79/04/92/1067790492.db2.gz FCMQTPDCHCREQW-QHCPKHFHSA-N 2 0 481.641 4.040 20 0 JIADRP [NH2+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849066959 1067794430 /nfs/dbraw/zinc/79/44/30/1067794430.db2.gz STMWGKHCJGYVMD-FQEVSTJZSA-N 2 0 470.459 4.054 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300288619 1068090131 /nfs/dbraw/zinc/09/01/31/1068090131.db2.gz BDBWUEXBORPBDS-QHCPKHFHSA-N 2 0 484.689 4.051 20 0 JIADRP COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)[NH+](C)C)c1 ZINC001300340137 1068321264 /nfs/dbraw/zinc/32/12/64/1068321264.db2.gz LCOAQEGVWKYZRJ-LADGPHEKSA-N 2 0 468.690 4.243 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300389735 1068502054 /nfs/dbraw/zinc/50/20/54/1068502054.db2.gz QBELCAXNAYXRTM-JOCHJYFZSA-N 2 0 468.690 4.244 20 0 JIADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483159 1069051189 /nfs/dbraw/zinc/05/11/89/1069051189.db2.gz FXHVVGWMEZHJJO-JCTONOIOSA-N 2 0 460.066 4.087 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001300566654 1069058636 /nfs/dbraw/zinc/05/86/36/1069058636.db2.gz DUKFJMKUZONJSP-QHCPKHFHSA-N 2 0 482.717 4.309 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300568576 1069068379 /nfs/dbraw/zinc/06/83/79/1069068379.db2.gz UTCOSZOMFJOWMK-HSZRJFAPSA-N 2 0 468.690 4.063 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300573103 1069087010 /nfs/dbraw/zinc/08/70/10/1069087010.db2.gz MHKDSUYLLSVSKE-QHCPKHFHSA-N 2 0 482.717 4.307 20 0 JIADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000849507852 1069089875 /nfs/dbraw/zinc/08/98/75/1069089875.db2.gz FXIIYNAPGPEWRM-KMDXXIMOSA-N 2 0 493.618 4.452 20 0 JIADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccc21 ZINC000849518745 1069110075 /nfs/dbraw/zinc/11/00/75/1069110075.db2.gz OXGDTLAQEPEDSY-JWQCQUIFSA-N 2 0 464.658 4.169 20 0 JIADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccc21 ZINC000849518750 1069110212 /nfs/dbraw/zinc/11/02/12/1069110212.db2.gz OXGDTLAQEPEDSY-RPBOFIJWSA-N 2 0 464.658 4.169 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525955 1069123072 /nfs/dbraw/zinc/12/30/72/1069123072.db2.gz PUTBDMOEADPDGM-IZLXSDGUSA-N 2 0 479.713 4.085 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607894 1069265273 /nfs/dbraw/zinc/26/52/73/1069265273.db2.gz ZPJYLLSMMADBNB-LOSJGSFVSA-N 2 0 469.699 4.451 20 0 JIADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c21 ZINC001164770257 721295480 /nfs/dbraw/zinc/29/54/80/721295480.db2.gz QNOMSVSFIRAKAQ-UHFFFAOYSA-N 2 0 493.051 4.319 20 0 JIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164780344 721373972 /nfs/dbraw/zinc/37/39/72/721373972.db2.gz GCKBHBVIRRJXGD-XNMGPUDCSA-N 2 0 467.658 4.352 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)C(=O)N(CC3CC3)[C@@H]4c3ccccc3)c2)CC1 ZINC001164996869 722221821 /nfs/dbraw/zinc/22/18/21/722221821.db2.gz BCIOBVMNTZQYBG-AREMUKBSSA-N 2 0 460.622 4.135 20 0 JIADRP COc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300651832 1069337294 /nfs/dbraw/zinc/33/72/94/1069337294.db2.gz HZLIFYIEXYMYCJ-FIPFOOKPSA-N 2 0 498.716 4.154 20 0 JIADRP CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359658142 1070252983 /nfs/dbraw/zinc/25/29/83/1070252983.db2.gz VELUFTXNHHXMGV-FQEVSTJZSA-N 2 0 492.510 4.077 20 0 JIADRP CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CCCC1 ZINC001359663870 1070289752 /nfs/dbraw/zinc/28/97/52/1070289752.db2.gz WGTQKWDPPZTFBO-AREMUKBSSA-N 2 0 495.760 4.246 20 0 JIADRP COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001315563771 1064592495 /nfs/dbraw/zinc/59/24/95/1064592495.db2.gz SSOIOKPQSNNMGT-QFIPXVFZSA-N 2 0 466.630 4.160 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315600308 1064707112 /nfs/dbraw/zinc/70/71/12/1064707112.db2.gz OFINTLIAAGBEQZ-JIPXPUAJSA-N 2 0 468.690 4.431 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315600309 1064707217 /nfs/dbraw/zinc/70/72/17/1064707217.db2.gz OFINTLIAAGBEQZ-KDYSTLNUSA-N 2 0 468.690 4.431 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001315606067 1064720921 /nfs/dbraw/zinc/72/09/21/1064720921.db2.gz YCSUVTGLVFIZBH-JOCHJYFZSA-N 2 0 468.690 4.386 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001315705264 1064973563 /nfs/dbraw/zinc/97/35/63/1064973563.db2.gz MVORAYWCMUOPKX-HSZRJFAPSA-N 2 0 468.690 4.002 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[NH+](C)C(C)C)C[C@@H]1C ZINC001316123828 1065791440 /nfs/dbraw/zinc/79/14/40/1065791440.db2.gz KXNXCAILGFVVSS-SFHVURJKSA-N 2 0 491.105 4.310 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001492516761 1066365495 /nfs/dbraw/zinc/36/54/95/1066365495.db2.gz WFCHDUVGCDSHLD-UHFFFAOYSA-N 2 0 453.679 4.224 20 0 JIADRP COc1ccccc1[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)[NH+]1CCCCC1 ZINC001317896686 1066767213 /nfs/dbraw/zinc/76/72/13/1066767213.db2.gz GVIHICUNGXFHFA-RUZDIDTESA-N 2 0 465.642 4.104 20 0 JIADRP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)ccc1N1CC[NH+](C)CC1 ZINC001317993858 1066839264 /nfs/dbraw/zinc/83/92/64/1066839264.db2.gz ZHJXXOHSDQXNOV-UHFFFAOYSA-N 2 0 488.474 4.105 20 0 JIADRP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)ccc1N1CC[NH+](C)CC1 ZINC001318085481 1066893300 /nfs/dbraw/zinc/89/33/00/1066893300.db2.gz TWCPEMGDIDMKAP-UHFFFAOYSA-N 2 0 477.575 4.361 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001492547598 1066932185 /nfs/dbraw/zinc/93/21/85/1066932185.db2.gz DKBLZLLGQVVRTN-HSZRJFAPSA-N 2 0 468.690 4.208 20 0 JIADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cccc(Br)c2F)c1)C1CCOCC1 ZINC001200009302 1067354619 /nfs/dbraw/zinc/35/46/19/1067354619.db2.gz BIXQXPYWGVCNSJ-UHFFFAOYSA-N 2 0 451.380 4.368 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@H+](C)C(C)C)cc1OC ZINC001300053332 1067526707 /nfs/dbraw/zinc/52/67/07/1067526707.db2.gz IGSKJJJFLKMNLG-QHCPKHFHSA-N 2 0 498.716 4.251 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300068169 1067585990 /nfs/dbraw/zinc/58/59/90/1067585990.db2.gz ZWGSKUFMFLTLEK-JOCHJYFZSA-N 2 0 468.690 4.386 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+](C)C2CCCC2)c(OC)c1 ZINC001300075046 1067598965 /nfs/dbraw/zinc/59/89/65/1067598965.db2.gz ALRQORRYYCIAKD-UHFFFAOYSA-N 2 0 498.716 4.395 20 0 JIADRP [NH2+]=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849058434 1067789449 /nfs/dbraw/zinc/78/94/49/1067789449.db2.gz DFQLMNJJTZXXCU-UHFFFAOYSA-N 3 0 496.703 4.287 20 0 JIADRP [NH2+]=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849067861 1067795290 /nfs/dbraw/zinc/79/52/90/1067795290.db2.gz ANRNTTRWXNEICO-UHFFFAOYSA-N 2 0 479.632 4.272 20 0 JIADRP [NH2+]=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NCCc1cccs1 ZINC000849070858 1067796431 /nfs/dbraw/zinc/79/64/31/1067796431.db2.gz JCGCBHPAMNRZOY-UHFFFAOYSA-N 2 0 453.578 4.026 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001492586264 1069000581 /nfs/dbraw/zinc/00/05/81/1069000581.db2.gz BJQCBAVGBDBVLN-HSZRJFAPSA-N 2 0 452.691 4.218 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001492586265 1069000728 /nfs/dbraw/zinc/00/07/28/1069000728.db2.gz BJQCBAVGBDBVLN-QHCPKHFHSA-N 2 0 452.691 4.218 20 0 JIADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492996 1069061522 /nfs/dbraw/zinc/06/15/22/1069061522.db2.gz IGARZWUGSJJDDX-VSGBNLITSA-N 2 0 471.649 4.035 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849505288 1069084345 /nfs/dbraw/zinc/08/43/45/1069084345.db2.gz GVWWNDCKRYKVII-SVBPBHIXSA-N 2 0 465.686 4.315 20 0 JIADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000849507855 1069089916 /nfs/dbraw/zinc/08/99/16/1069089916.db2.gz FXIIYNAPGPEWRM-RBZQAINGSA-N 2 0 493.618 4.452 20 0 JIADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccc21 ZINC000849518748 1069109967 /nfs/dbraw/zinc/10/99/67/1069109967.db2.gz OXGDTLAQEPEDSY-LOSJGSFVSA-N 2 0 464.658 4.169 20 0 JIADRP CCC1(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000849570031 1069221266 /nfs/dbraw/zinc/22/12/66/1069221266.db2.gz YONXULCDYHPFSE-FTJBHMTQSA-N 2 0 465.686 4.043 20 0 JIADRP CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835775 720526324 /nfs/dbraw/zinc/52/63/24/720526324.db2.gz LGZUMXHOTGQIIO-FULLSBAXSA-N 2 0 470.665 4.214 20 0 JIADRP CC(C)NC(=O)C[C@H]1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)Oc2ccccc21 ZINC001164797224 721593515 /nfs/dbraw/zinc/59/35/15/721593515.db2.gz FPKSKWCUSARVGT-QFIPXVFZSA-N 2 0 492.664 4.375 20 0 JIADRP C[NH+](C)CC1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)CC1 ZINC001165044775 721948028 /nfs/dbraw/zinc/94/80/28/721948028.db2.gz IINWUIHMWFGNRJ-UHFFFAOYSA-N 2 0 469.029 4.175 20 0 JIADRP CC(C)(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359529166 1069819081 /nfs/dbraw/zinc/81/90/81/1069819081.db2.gz KSSBOPWLGUQEJS-UHFFFAOYSA-N 2 0 488.765 4.318 20 0 JIADRP CC(C)(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001359538664 1069834734 /nfs/dbraw/zinc/83/47/34/1069834734.db2.gz ZSWAWPAVHABOHV-UHFFFAOYSA-N 2 0 452.691 4.236 20 0 JIADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CC=CCC2)CC1 ZINC001359547849 1069853819 /nfs/dbraw/zinc/85/38/19/1069853819.db2.gz DXDKGBHVIKCNGT-UHFFFAOYSA-N 2 0 487.490 4.280 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3sc4ccccc4c3Cl)n2CC[NH+](C)C(C)C)C[C@H]1C ZINC001316123826 1065791348 /nfs/dbraw/zinc/79/13/48/1065791348.db2.gz KXNXCAILGFVVSS-GOSISDBHSA-N 2 0 491.105 4.310 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001316130454 1065801770 /nfs/dbraw/zinc/80/17/70/1065801770.db2.gz WVBVOBSYDNCBNW-JOCHJYFZSA-N 2 0 489.108 4.268 20 0 JIADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)C[NH+](C)C ZINC001316492705 1066433194 /nfs/dbraw/zinc/43/31/94/1066433194.db2.gz RUOWCVCYKYHMFM-GOSISDBHSA-N 2 0 493.071 4.015 20 0 JIADRP C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC001316503733 1066472170 /nfs/dbraw/zinc/47/21/70/1066472170.db2.gz DMZWZOUCOYKLKQ-MZKRTTBSSA-N 2 0 488.746 4.266 20 0 JIADRP Cc1ccc(C[NH+]2CCCN(C(=O)NCc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)cc1 ZINC001337480250 1066485652 /nfs/dbraw/zinc/48/56/52/1066485652.db2.gz DLRIQHQPIDSKEP-PSWAGMNNSA-N 2 0 464.654 4.022 20 0 JIADRP CCCN(C(=O)NCc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001338577085 1066564753 /nfs/dbraw/zinc/56/47/53/1066564753.db2.gz DTWAXZNHXOMGMB-SANMLTNESA-N 2 0 463.670 4.025 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001492534648 1066581871 /nfs/dbraw/zinc/58/18/71/1066581871.db2.gz JGIKHEYSEYGMMR-ZEQRLZLVSA-N 2 0 452.691 4.228 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001492546983 1066857254 /nfs/dbraw/zinc/85/72/54/1066857254.db2.gz JYKQIICWWFNZTK-DNQXCXABSA-N 2 0 468.690 4.064 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492546984 1066857280 /nfs/dbraw/zinc/85/72/80/1066857280.db2.gz JYKQIICWWFNZTK-PSWAGMNNSA-N 2 0 468.690 4.064 20 0 JIADRP Cc1cc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001318404442 1067038509 /nfs/dbraw/zinc/03/85/09/1067038509.db2.gz QNNTWVNCFHGKQY-QFIPXVFZSA-N 2 0 450.627 4.252 20 0 JIADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001322612062 1067306658 /nfs/dbraw/zinc/30/66/58/1067306658.db2.gz YCDQQYORHWLJDM-UHFFFAOYSA-N 2 0 452.046 4.239 20 0 JIADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)cc1 ZINC001354985477 1067317811 /nfs/dbraw/zinc/31/78/11/1067317811.db2.gz SLDLVXKRHCZJJY-UHFFFAOYSA-N 2 0 459.034 4.455 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300063911 1067574306 /nfs/dbraw/zinc/57/43/06/1067574306.db2.gz XUIHHQARYKJNGE-QFIPXVFZSA-N 2 0 454.663 4.139 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300063909 1067574594 /nfs/dbraw/zinc/57/45/94/1067574594.db2.gz XUIHHQARYKJNGE-JOCHJYFZSA-N 2 0 454.663 4.139 20 0 JIADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001353094650 1067861072 /nfs/dbraw/zinc/86/10/72/1067861072.db2.gz YZOHMDGNLXMZEP-RRPNLBNLSA-N 2 0 458.606 4.266 20 0 JIADRP COc1ccc(Oc2ccc(C[NH2+]Cc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2)cc1 ZINC001200346638 1068166810 /nfs/dbraw/zinc/16/68/10/1068166810.db2.gz PNWQMKHPVVKGHL-DEOSSOPVSA-N 2 0 459.590 4.475 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001300370064 1068418829 /nfs/dbraw/zinc/41/88/29/1068418829.db2.gz STQPWFLUXMLUFY-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001300390384 1068505380 /nfs/dbraw/zinc/50/53/80/1068505380.db2.gz XMTHZZJMOIIFRH-JOCHJYFZSA-N 2 0 468.671 4.239 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300507786 1068882452 /nfs/dbraw/zinc/88/24/52/1068882452.db2.gz SXKFGRPRBBOXEV-HXUWFJFHSA-N 2 0 468.671 4.239 20 0 JIADRP COc1ccccc1Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300548689 1068993453 /nfs/dbraw/zinc/99/34/53/1068993453.db2.gz OBNFWLRODCYOQM-UPVQGACJSA-N 2 0 468.690 4.059 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001492587461 1069025393 /nfs/dbraw/zinc/02/53/93/1069025393.db2.gz QMJAUDHUFGHMQV-UHFFFAOYSA-N 2 0 452.691 4.220 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300566450 1069057188 /nfs/dbraw/zinc/05/71/88/1069057188.db2.gz BGZWCNBBNOUILM-QHCPKHFHSA-N 2 0 482.717 4.453 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849492114 1069059472 /nfs/dbraw/zinc/05/94/72/1069059472.db2.gz BYHHSUUWHRANPV-WUFINQPMSA-N 2 0 473.665 4.279 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001300567575 1069062349 /nfs/dbraw/zinc/06/23/49/1069062349.db2.gz HPQRNRFTZOUKLN-UHFFFAOYSA-N 2 0 468.690 4.063 20 0 JIADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505591 1069087139 /nfs/dbraw/zinc/08/71/39/1069087139.db2.gz IIQDYUISKRRMRR-GOTSBHOMSA-N 2 0 487.092 4.058 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518231 1069105040 /nfs/dbraw/zinc/10/50/40/1069105040.db2.gz QKYIWPBVRJVKAI-CLJLJLNGSA-N 2 0 494.684 4.077 20 0 JIADRP COc1ccc2c(cc[nH+]c2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164679960 719662820 /nfs/dbraw/zinc/66/28/20/719662820.db2.gz BITMQTLVGUIXRU-QFIPXVFZSA-N 2 0 472.633 4.337 20 0 JIADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21 ZINC001164837039 720652403 /nfs/dbraw/zinc/65/24/03/720652403.db2.gz AXJTVVFMRFZHSI-RRPUWOKSSA-N 2 0 491.030 4.231 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001300653682 1069343556 /nfs/dbraw/zinc/34/35/56/1069343556.db2.gz YLGJCRSROIHHTM-QHCPKHFHSA-N 2 0 484.689 4.051 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359547126 1069851545 /nfs/dbraw/zinc/85/15/45/1069851545.db2.gz CHAUWBHYRZIOAX-UHFFFAOYSA-N 2 0 464.702 4.274 20 0 JIADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)CC1 ZINC001359548169 1069854787 /nfs/dbraw/zinc/85/47/87/1069854787.db2.gz QJOJOPGRPKMSTN-UHFFFAOYSA-N 2 0 481.508 4.176 20 0 JIADRP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC001315544585 1064547110 /nfs/dbraw/zinc/54/71/10/1064547110.db2.gz DVPRZYDKMCHLIJ-VSKRKVRLSA-N 2 0 468.690 4.235 20 0 JIADRP COc1cccc([C@@H](Cn2c(-c3cccn3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)[NH+](C)C)c1 ZINC001315545887 1064551585 /nfs/dbraw/zinc/55/15/85/1064551585.db2.gz DWTORXHRGOBHEN-RUZDIDTESA-N 2 0 493.700 4.153 20 0 JIADRP COc1cccc([C@H](Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001315547403 1064557112 /nfs/dbraw/zinc/55/71/12/1064557112.db2.gz QFTOSSQARGRQFT-QFIPXVFZSA-N 2 0 466.630 4.079 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001315558735 1064582013 /nfs/dbraw/zinc/58/20/13/1064582013.db2.gz GJKOXAXSZCAUFJ-DEOSSOPVSA-N 2 0 454.663 4.041 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001315599288 1064704206 /nfs/dbraw/zinc/70/42/06/1064704206.db2.gz GQGAMRKYEUAQTC-QHCPKHFHSA-N 2 0 454.663 4.041 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001315606233 1064722224 /nfs/dbraw/zinc/72/22/24/1064722224.db2.gz BITFWUUEPQVITB-JOCHJYFZSA-N 2 0 468.671 4.096 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315624205 1064763734 /nfs/dbraw/zinc/76/37/34/1064763734.db2.gz FPCWCYRHIJMSDZ-UHFFFAOYSA-N 2 0 482.717 4.310 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001315625380 1064766488 /nfs/dbraw/zinc/76/64/88/1064766488.db2.gz RBIIGHDHWOVQLG-UHFFFAOYSA-N 2 0 468.690 4.064 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(COc3cccc(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001315706262 1064977352 /nfs/dbraw/zinc/97/73/52/1064977352.db2.gz UHHRQSISWKNZNY-UHFFFAOYSA-N 2 0 498.716 4.022 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001316125900 1065797690 /nfs/dbraw/zinc/79/76/90/1065797690.db2.gz WPECRHSKWCIQMK-JOCHJYFZSA-N 2 0 489.108 4.268 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001316129770 1065801698 /nfs/dbraw/zinc/80/16/98/1065801698.db2.gz RQTPPZABSIBMFE-ARNLJNQMSA-N 2 0 482.717 4.169 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001316129780 1065801730 /nfs/dbraw/zinc/80/17/30/1065801730.db2.gz RQTPPZABSIBMFE-VDKIKQQVSA-N 2 0 482.717 4.169 20 0 JIADRP CSC1(Cn2c(CC(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+](C)CC1 ZINC001316408364 1066192183 /nfs/dbraw/zinc/19/21/83/1066192183.db2.gz XOHMHGXBTIANCX-QFIPXVFZSA-N 2 0 470.731 4.015 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001492546530 1066828207 /nfs/dbraw/zinc/82/82/07/1066828207.db2.gz XROOQGAJDCMNBT-QHCPKHFHSA-N 2 0 482.698 4.450 20 0 JIADRP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001318419015 1067039910 /nfs/dbraw/zinc/03/99/10/1067039910.db2.gz OWARTLIBGPHRGB-UHFFFAOYSA-N 2 0 482.470 4.289 20 0 JIADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)o1 ZINC001321653467 1067190698 /nfs/dbraw/zinc/19/06/98/1067190698.db2.gz KYBBMTUCFZPPGJ-UHFFFAOYSA-N 2 0 455.606 4.478 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300074049 1067597495 /nfs/dbraw/zinc/59/74/95/1067597495.db2.gz CRICJSMMLXQXAE-QHCPKHFHSA-N 2 0 468.690 4.386 20 0 JIADRP C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358026503 1067991105 /nfs/dbraw/zinc/99/11/05/1067991105.db2.gz CLQUCOFZPNSCQK-NRFANRHFSA-N 2 0 452.618 4.057 20 0 JIADRP CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001473597033 1068262759 /nfs/dbraw/zinc/26/27/59/1068262759.db2.gz MFQMTKIYSXXGAV-JYFHCDHNSA-N 2 0 457.659 4.125 20 0 JIADRP COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)[NH+](C)C)c1 ZINC001300340141 1068322166 /nfs/dbraw/zinc/32/21/66/1068322166.db2.gz LCOAQEGVWKYZRJ-VWNXMTODSA-N 2 0 468.690 4.243 20 0 JIADRP COc1cccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001300342325 1068331282 /nfs/dbraw/zinc/33/12/82/1068331282.db2.gz WEIUPJOXSRTBDO-FTJBHMTQSA-N 2 0 498.716 4.388 20 0 JIADRP COc1cccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001300342327 1068331846 /nfs/dbraw/zinc/33/18/46/1068331846.db2.gz WEIUPJOXSRTBDO-UIOOFZCWSA-N 2 0 498.716 4.388 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300485649 1068845078 /nfs/dbraw/zinc/84/50/78/1068845078.db2.gz IRMSSXUNCJJLEF-QFIPXVFZSA-N 2 0 468.690 4.242 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001300510459 1068887217 /nfs/dbraw/zinc/88/72/17/1068887217.db2.gz RDROJJCLCCFSKY-UHFFFAOYSA-N 2 0 468.690 4.244 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001300514174 1068895743 /nfs/dbraw/zinc/89/57/43/1068895743.db2.gz YWCRIJZRSZMGIS-UHFFFAOYSA-N 2 0 468.690 4.388 20 0 JIADRP COc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)ccc1OC(F)F ZINC001200591095 1068974766 /nfs/dbraw/zinc/97/47/66/1068974766.db2.gz TWYMYKHEMPXMTR-UHFFFAOYSA-N 2 0 459.459 4.357 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492569960 1069012396 /nfs/dbraw/zinc/01/23/96/1069012396.db2.gz MVBRCNXYFAIWJT-UODIDJSMSA-N 2 0 495.760 4.225 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492569959 1069012590 /nfs/dbraw/zinc/01/25/90/1069012590.db2.gz MVBRCNXYFAIWJT-TWJOJJKGSA-N 2 0 495.760 4.225 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492569957 1069012702 /nfs/dbraw/zinc/01/27/02/1069012702.db2.gz MVBRCNXYFAIWJT-CYXNTTPDSA-N 2 0 495.760 4.225 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001492587515 1069025702 /nfs/dbraw/zinc/02/57/02/1069025702.db2.gz SJNKZVJXYSQZLL-UHFFFAOYSA-N 2 0 466.718 4.466 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300566449 1069057198 /nfs/dbraw/zinc/05/71/98/1069057198.db2.gz BGZWCNBBNOUILM-HSZRJFAPSA-N 2 0 482.717 4.453 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300573184 1069087069 /nfs/dbraw/zinc/08/70/69/1069087069.db2.gz DNTTVWQJTLKARA-HSZRJFAPSA-N 2 0 482.717 4.168 20 0 JIADRP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849512894 1069097320 /nfs/dbraw/zinc/09/73/20/1069097320.db2.gz MQLFOSGSFIKCKW-HFMPRLQTSA-N 2 0 494.511 4.377 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559659 1069208672 /nfs/dbraw/zinc/20/86/72/1069208672.db2.gz VRRNFQOSAMWCDP-URLMMPGGSA-N 2 0 487.692 4.395 20 0 JIADRP CCC1(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000849570035 1069221315 /nfs/dbraw/zinc/22/13/15/1069221315.db2.gz YONXULCDYHPFSE-UIOOFZCWSA-N 2 0 465.686 4.043 20 0 JIADRP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001300624469 1069254057 /nfs/dbraw/zinc/25/40/57/1069254057.db2.gz OZUCTBUWAARSNR-UHFFFAOYSA-N 2 0 450.067 4.292 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4ccccc4C4(CCN(c5ncc(F)cn5)CC4)C3)c2)CC1 ZINC001164837445 720735818 /nfs/dbraw/zinc/73/58/18/720735818.db2.gz JTMMRTSPOVBFGN-UHFFFAOYSA-N 2 0 488.611 4.042 20 0 JIADRP COc1cc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164904785 721708094 /nfs/dbraw/zinc/70/80/94/721708094.db2.gz DCQDWFXVDSYHRN-DEOSSOPVSA-N 2 0 454.521 4.385 20 0 JIADRP COc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300651833 1069336917 /nfs/dbraw/zinc/33/69/17/1069336917.db2.gz HZLIFYIEXYMYCJ-LXFBAYGMSA-N 2 0 498.716 4.154 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001315531385 1064516312 /nfs/dbraw/zinc/51/63/12/1064516312.db2.gz XJPAARSDSNGUFT-DEOSSOPVSA-N 2 0 498.716 4.154 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001315558759 1064582783 /nfs/dbraw/zinc/58/27/83/1064582783.db2.gz GUJUXXOPTAEMCU-UHFFFAOYSA-N 2 0 454.663 4.185 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001315625387 1064766555 /nfs/dbraw/zinc/76/65/55/1064766555.db2.gz RTPVORFDYXXEDS-UHFFFAOYSA-N 2 0 482.717 4.453 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(C(C)C)nnc2N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001315705265 1064974345 /nfs/dbraw/zinc/97/43/45/1064974345.db2.gz MVORAYWCMUOPKX-QHCPKHFHSA-N 2 0 468.690 4.002 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001316126070 1065798004 /nfs/dbraw/zinc/79/80/04/1065798004.db2.gz XAORTYORPXRBLB-HXUWFJFHSA-N 2 0 475.081 4.020 20 0 JIADRP CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccccc3C)CC2)CC[NH+](C)CC1 ZINC001316408202 1066192080 /nfs/dbraw/zinc/19/20/80/1066192080.db2.gz PRGFCEIATRPHDD-UHFFFAOYSA-N 2 0 484.758 4.325 20 0 JIADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)CC2)cc1 ZINC001337480252 1066485421 /nfs/dbraw/zinc/48/54/21/1066485421.db2.gz DLRIQHQPIDSKEP-ZEQRLZLVSA-N 2 0 464.654 4.022 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001492543197 1066664075 /nfs/dbraw/zinc/66/40/75/1066664075.db2.gz CYDVZGWOMXVERL-UHFFFAOYSA-N 2 0 468.690 4.397 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492543145 1066664151 /nfs/dbraw/zinc/66/41/51/1066664151.db2.gz BPVLZJKBBLDNAU-DNQXCXABSA-N 2 0 468.690 4.206 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300053605 1067528262 /nfs/dbraw/zinc/52/82/62/1067528262.db2.gz KJUCVABDQSNADU-QHCPKHFHSA-N 2 0 482.717 4.490 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001492582649 1067529582 /nfs/dbraw/zinc/52/95/82/1067529582.db2.gz NYODOUORMRHAQU-UHFFFAOYSA-N 2 0 452.691 4.409 20 0 JIADRP COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300071663 1067594123 /nfs/dbraw/zinc/59/41/23/1067594123.db2.gz VTMKXPGGCSANQN-JOCHJYFZSA-N 2 0 498.716 4.392 20 0 JIADRP COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001300119506 1067734192 /nfs/dbraw/zinc/73/41/92/1067734192.db2.gz GTABWBFATQMNEI-UHFFFAOYSA-N 2 0 482.717 4.161 20 0 JIADRP C[C@H]([NH2+]Cc1ccc(I)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001200253659 1067892385 /nfs/dbraw/zinc/89/23/85/1067892385.db2.gz DORYDABKTXDYQW-ZDUSSCGKSA-N 2 0 459.372 4.094 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492567296 1068832258 /nfs/dbraw/zinc/83/22/58/1068832258.db2.gz BRCLFXSQKMVBQU-VWLOTQADSA-N 2 0 456.704 4.001 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300509999 1068885797 /nfs/dbraw/zinc/88/57/97/1068885797.db2.gz BFVBOEUHACADHV-QFIPXVFZSA-N 2 0 468.690 4.242 20 0 JIADRP CCC1(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000849570028 1069221193 /nfs/dbraw/zinc/22/11/93/1069221193.db2.gz YONXULCDYHPFSE-CLJLJLNGSA-N 2 0 465.686 4.043 20 0 JIADRP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592014 1069244767 /nfs/dbraw/zinc/24/47/67/1069244767.db2.gz MFYKIAIHGALLCX-WXFUMESZSA-N 2 0 460.066 4.087 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849607969 1069265469 /nfs/dbraw/zinc/26/54/69/1069265469.db2.gz MMIJODCPOVMAJP-NHCUHLMSSA-N 2 0 466.655 4.077 20 0 JIADRP COc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300651835 1069337254 /nfs/dbraw/zinc/33/72/54/1069337254.db2.gz HZLIFYIEXYMYCJ-QDPGVEIFSA-N 2 0 498.716 4.154 20 0 JIADRP CC(C)(C)[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCCCCC[NH+]2CCCC2)CC1 ZINC001359549091 1069857132 /nfs/dbraw/zinc/85/71/32/1069857132.db2.gz BXESRDQTHIAPRB-UHFFFAOYSA-N 2 0 453.679 4.307 20 0 JIADRP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4cccnc4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315545073 1064548955 /nfs/dbraw/zinc/54/89/55/1064548955.db2.gz KKJQPUNLNURUPE-RCZVLFRGSA-N 2 0 491.684 4.208 20 0 JIADRP COc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001315545409 1064550882 /nfs/dbraw/zinc/55/08/82/1064550882.db2.gz ASPFKFWGWOVLOA-AREMUKBSSA-N 2 0 491.684 4.208 20 0 JIADRP COCC[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001316070175 1065709858 /nfs/dbraw/zinc/70/98/58/1065709858.db2.gz QFHSTISYRHHAFB-UHFFFAOYSA-N 2 0 491.105 4.312 20 0 JIADRP CSC1(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC[NH+](C)CC1 ZINC001316403337 1066183897 /nfs/dbraw/zinc/18/38/97/1066183897.db2.gz SHLVATDQYFXVJS-UHFFFAOYSA-N 2 0 495.112 4.486 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492510908 1066342629 /nfs/dbraw/zinc/34/26/29/1066342629.db2.gz GRNNVTNPISIMPQ-FGZHOGPDSA-N 2 0 467.706 4.373 20 0 JIADRP Cc1cccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001492518057 1066375142 /nfs/dbraw/zinc/37/51/42/1066375142.db2.gz PUJWBTVXYBMITO-QHCPKHFHSA-N 2 0 453.679 4.080 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001492534646 1066581680 /nfs/dbraw/zinc/58/16/80/1066581680.db2.gz JGIKHEYSEYGMMR-DNQXCXABSA-N 2 0 452.691 4.228 20 0 JIADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1 ZINC001350502945 1066965797 /nfs/dbraw/zinc/96/57/97/1066965797.db2.gz ZWJMNYZEWNLWJE-RUZDIDTESA-N 2 0 450.627 4.060 20 0 JIADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1 ZINC001350502947 1066966028 /nfs/dbraw/zinc/96/60/28/1066966028.db2.gz ZWJMNYZEWNLWJE-VWLOTQADSA-N 2 0 450.627 4.060 20 0 JIADRP Cc1ccccc1Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001492580320 1067324598 /nfs/dbraw/zinc/32/45/98/1067324598.db2.gz ARXOXEKVHDNOHE-NOZRDPDXSA-N 2 0 452.691 4.359 20 0 JIADRP COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300026545 1067398372 /nfs/dbraw/zinc/39/83/72/1067398372.db2.gz BRWSJNGMZPUVKB-FYYLOGMGSA-N 2 0 454.663 4.136 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001300067237 1067582958 /nfs/dbraw/zinc/58/29/58/1067582958.db2.gz MGAXSJPRKRRRMO-NRFANRHFSA-N 2 0 468.671 4.239 20 0 JIADRP COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300340779 1068325377 /nfs/dbraw/zinc/32/53/77/1068325377.db2.gz OTPOHHICRWCLSZ-QHCPKHFHSA-N 2 0 454.663 4.168 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001300387984 1068494295 /nfs/dbraw/zinc/49/42/95/1068494295.db2.gz GAOKRGPIOKLKOJ-FGZHOGPDSA-N 2 0 468.690 4.242 20 0 JIADRP C[N@@H+](Cc1ccccc1NC(=S)NCC[NH+]1CCCCC1)C[C@@H](O)c1ccc(Cl)cc1 ZINC001200434459 1068535639 /nfs/dbraw/zinc/53/56/39/1068535639.db2.gz VGICCGOWICEXNC-HSZRJFAPSA-N 2 0 461.075 4.278 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001300486435 1068847401 /nfs/dbraw/zinc/84/74/01/1068847401.db2.gz XUMKZZAZSOGEJS-UHFFFAOYSA-N 2 0 468.690 4.386 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518232 1069104818 /nfs/dbraw/zinc/10/48/18/1069104818.db2.gz QKYIWPBVRJVKAI-FTJBHMTQSA-N 2 0 494.684 4.077 20 0 JIADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518900 1069108861 /nfs/dbraw/zinc/10/88/61/1069108861.db2.gz SUSFGKFHSIOXMJ-SVBPBHIXSA-N 2 0 473.665 4.025 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525962 1069123475 /nfs/dbraw/zinc/12/34/75/1069123475.db2.gz PUTBDMOEADPDGM-WUFINQPMSA-N 2 0 479.713 4.085 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C4(CC[C@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1 ZINC001164616559 719011235 /nfs/dbraw/zinc/01/12/35/719011235.db2.gz LBFVMAYTMHEBEK-NOTUOJBMSA-N 2 0 454.659 4.168 20 0 JIADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21 ZINC001164837037 720652912 /nfs/dbraw/zinc/65/29/12/720652912.db2.gz AXJTVVFMRFZHSI-NWSQWKLXSA-N 2 0 491.030 4.231 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C=C(C(=O)N5CCCC5)c5ccccc54)CC3)c2)CC1 ZINC001164930086 721899662 /nfs/dbraw/zinc/89/96/62/721899662.db2.gz ZMDWTCPYYKCGEK-UHFFFAOYSA-N 2 0 472.633 4.112 20 0 JIADRP CN(CC1CC[NH+](C)CC1)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001165043216 721936097 /nfs/dbraw/zinc/93/60/97/721936097.db2.gz QWOJOOGHVNCQEV-UHFFFAOYSA-N 2 0 469.029 4.175 20 0 JIADRP CC(C)(C)Cc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001359527565 1069817272 /nfs/dbraw/zinc/81/72/72/1069817272.db2.gz QIHSLGWPFYHSCR-JOCHJYFZSA-N 2 0 467.706 4.346 20 0 JIADRP Cc1ccccc1C[NH+]1CCN(c2nnc(-c3cccn3C)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001492595538 1069846704 /nfs/dbraw/zinc/84/67/04/1069846704.db2.gz CKWKDHGQMCHSSJ-UHFFFAOYSA-N 2 0 477.701 4.423 20 0 JIADRP COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)[NH+](C)C)c1 ZINC001315544703 1064547807 /nfs/dbraw/zinc/54/78/07/1064547807.db2.gz HPPUQCPOSWQFCK-LQOCYXTFSA-N 2 0 468.690 4.414 20 0 JIADRP COc1cccc([C@H](Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[NH+](C)C)c1 ZINC001315548194 1064559505 /nfs/dbraw/zinc/55/95/05/1064559505.db2.gz XMTAJZPSUDHNCH-LVXARBLLSA-N 2 0 468.690 4.379 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315597277 1064699742 /nfs/dbraw/zinc/69/97/42/1064699742.db2.gz BZIXYOSYZWOPTB-QHCPKHFHSA-N 2 0 468.690 4.385 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001315704639 1064971939 /nfs/dbraw/zinc/97/19/39/1064971939.db2.gz IEWQAHDYTWSIPL-UHFFFAOYSA-N 2 0 468.690 4.110 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001315707474 1064981286 /nfs/dbraw/zinc/98/12/86/1064981286.db2.gz ZGPXJIOHAZATKI-UHFFFAOYSA-N 2 0 482.717 4.454 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001492515959 1066363423 /nfs/dbraw/zinc/36/34/23/1066363423.db2.gz JNRMWFGCBNEEOO-HFZDXXHNSA-N 2 0 453.679 4.080 20 0 JIADRP Cc1cccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001492518056 1066375272 /nfs/dbraw/zinc/37/52/72/1066375272.db2.gz PUJWBTVXYBMITO-HSZRJFAPSA-N 2 0 453.679 4.080 20 0 JIADRP COc1ccccc1[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1)[NH+]1CCCCC1 ZINC001317896687 1066767489 /nfs/dbraw/zinc/76/74/89/1066767489.db2.gz GVIHICUNGXFHFA-VWLOTQADSA-N 2 0 465.642 4.104 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001492547189 1066916544 /nfs/dbraw/zinc/91/65/44/1066916544.db2.gz QPVGBYAICSDCOW-WNCULLNHSA-N 2 0 468.690 4.206 20 0 JIADRP Cc1ccccc1Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001492580322 1067324209 /nfs/dbraw/zinc/32/42/09/1067324209.db2.gz ARXOXEKVHDNOHE-ZCYQVOJMSA-N 2 0 452.691 4.359 20 0 JIADRP Cc1ccccc1Cc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001492580319 1067324339 /nfs/dbraw/zinc/32/43/39/1067324339.db2.gz ARXOXEKVHDNOHE-ILBGXUMGSA-N 2 0 452.691 4.359 20 0 JIADRP COc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300043660 1067483497 /nfs/dbraw/zinc/48/34/97/1067483497.db2.gz HVJUKNKWPXLWOO-HSZRJFAPSA-N 2 0 484.689 4.146 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300067286 1067583166 /nfs/dbraw/zinc/58/31/66/1067583166.db2.gz NWVLHWOSCFUCET-NRFANRHFSA-N 2 0 484.689 4.003 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001300068460 1067586304 /nfs/dbraw/zinc/58/63/04/1067586304.db2.gz NHRLJMGSAJNIAR-FGZHOGPDSA-N 2 0 498.716 4.249 20 0 JIADRP COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300070742 1067591227 /nfs/dbraw/zinc/59/12/27/1067591227.db2.gz LEOSUMISMIPTNN-ZJSXRUAMSA-N 2 0 498.716 4.249 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001300073922 1067596817 /nfs/dbraw/zinc/59/68/17/1067596817.db2.gz AQWIZMNKOHJNKX-UHFFFAOYSA-N 2 0 498.716 4.395 20 0 JIADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC001200105938 1067629688 /nfs/dbraw/zinc/62/96/88/1067629688.db2.gz QLQNHSDPRGZGED-QFIPXVFZSA-N 2 0 457.460 4.350 20 0 JIADRP COc1ccc(CCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001300119837 1067735075 /nfs/dbraw/zinc/73/50/75/1067735075.db2.gz KJKPQCURKKJKQJ-HSZRJFAPSA-N 2 0 482.717 4.159 20 0 JIADRP COc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000849058891 1067789045 /nfs/dbraw/zinc/78/90/45/1067789045.db2.gz ZSIDGYUFTIWKBV-UHFFFAOYSA-N 2 0 459.594 4.162 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001492563559 1068041102 /nfs/dbraw/zinc/04/11/02/1068041102.db2.gz GADVBXNZVAJOOJ-UHFFFAOYSA-N 2 0 482.717 4.045 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001300292437 1068098585 /nfs/dbraw/zinc/09/85/85/1068098585.db2.gz SPZAIACOUDJKCN-QHCPKHFHSA-N 2 0 484.689 4.051 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001300374667 1068441179 /nfs/dbraw/zinc/44/11/79/1068441179.db2.gz JLUPCPFQXHRROA-OAQYLSRUSA-N 2 0 454.663 4.185 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849545678 1069182862 /nfs/dbraw/zinc/18/28/62/1069182862.db2.gz WFOCZPZIMACBDD-TUSQITKMSA-N 2 0 451.659 4.014 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001300625492 1069256623 /nfs/dbraw/zinc/25/66/23/1069256623.db2.gz YSQYEFHEFYZBRF-UHFFFAOYSA-N 2 0 457.062 4.072 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849606014 1069262601 /nfs/dbraw/zinc/26/26/01/1069262601.db2.gz LGILVDSJRPZLFP-ZEQRLZLVSA-N 2 0 455.672 4.061 20 0 JIADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606727 1069264038 /nfs/dbraw/zinc/26/40/38/1069264038.db2.gz RCBCDGLPSXZIIA-NSOVKSMOSA-N 2 0 471.649 4.474 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1 ZINC001164845207 720743877 /nfs/dbraw/zinc/74/38/77/720743877.db2.gz XDCVXKGLEALOOT-XMMPIXPASA-N 2 0 471.653 4.376 20 0 JIADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164780341 721373096 /nfs/dbraw/zinc/37/30/96/721373096.db2.gz GCKBHBVIRRJXGD-AHKZPQOWSA-N 2 0 467.658 4.352 20 0 JIADRP CC(C)NC(=O)C[C@@H]1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)Oc2ccccc21 ZINC001164797221 721593549 /nfs/dbraw/zinc/59/35/49/721593549.db2.gz FPKSKWCUSARVGT-JOCHJYFZSA-N 2 0 492.664 4.375 20 0 JIADRP COc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300651834 1069336956 /nfs/dbraw/zinc/33/69/56/1069336956.db2.gz HZLIFYIEXYMYCJ-NEKDWFFYSA-N 2 0 498.716 4.154 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001300651791 1069337175 /nfs/dbraw/zinc/33/71/75/1069337175.db2.gz FIANLARJCAYTQB-UHFFFAOYSA-N 2 0 484.689 4.051 20 0 JIADRP COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)[NH+](C)C)c1 ZINC001315544702 1064548018 /nfs/dbraw/zinc/54/80/18/1064548018.db2.gz HPPUQCPOSWQFCK-GCKKQHTFSA-N 2 0 468.690 4.414 20 0 JIADRP COc1cccc([C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001315547402 1064556784 /nfs/dbraw/zinc/55/67/84/1064556784.db2.gz QFTOSSQARGRQFT-JOCHJYFZSA-N 2 0 466.630 4.079 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315629418 1064777696 /nfs/dbraw/zinc/77/76/96/1064777696.db2.gz LUGRFLVWSNXUGH-XMMPIXPASA-N 2 0 482.717 4.309 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492513938 1066353852 /nfs/dbraw/zinc/35/38/52/1066353852.db2.gz MHARECZTZMQVPK-DEOSSOPVSA-N 2 0 467.706 4.471 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492543146 1066664101 /nfs/dbraw/zinc/66/41/01/1066664101.db2.gz BPVLZJKBBLDNAU-RPWUZVMVSA-N 2 0 468.690 4.206 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492546769 1066852546 /nfs/dbraw/zinc/85/25/46/1066852546.db2.gz AYDNGXQWMYWGLT-UHFFFAOYSA-N 2 0 468.690 4.208 20 0 JIADRP COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300026548 1067398400 /nfs/dbraw/zinc/39/84/00/1067398400.db2.gz BRWSJNGMZPUVKB-GMAHTHKFSA-N 2 0 454.663 4.136 20 0 JIADRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)c2)CC1 ZINC001200046344 1067423067 /nfs/dbraw/zinc/42/30/67/1067423067.db2.gz MPRONGNZQFOKSU-UHFFFAOYSA-N 2 0 450.627 4.021 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300071221 1067592837 /nfs/dbraw/zinc/59/28/37/1067592837.db2.gz QOFDPZCSDUKNLL-QHCPKHFHSA-N 2 0 468.671 4.096 20 0 JIADRP COc1ccc(OC)c(NC(=[NH2+])NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000849070975 1067796199 /nfs/dbraw/zinc/79/61/99/1067796199.db2.gz AYLIMJZNAPNFQP-UHFFFAOYSA-N 2 0 479.547 4.261 20 0 JIADRP [NH2+]=C(NCc1ccc(Cn2cnc3ccccc32)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849074501 1067797404 /nfs/dbraw/zinc/79/74/04/1067797404.db2.gz SGCDWBYPLCZZCY-UHFFFAOYSA-N 2 0 452.606 4.363 20 0 JIADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358030761 1067994310 /nfs/dbraw/zinc/99/43/10/1067994310.db2.gz VGAVMZNWBBYKMF-POGFHVCPSA-N 2 0 466.645 4.303 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001300387757 1068492930 /nfs/dbraw/zinc/49/29/30/1068492930.db2.gz AWSAKXOHHBXDMQ-QFIPXVFZSA-N 2 0 468.671 4.096 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001300390203 1068503972 /nfs/dbraw/zinc/50/39/72/1068503972.db2.gz UDWUWIOIZQNSJZ-JOCHJYFZSA-N 2 0 468.690 4.242 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300509998 1068885746 /nfs/dbraw/zinc/88/57/46/1068885746.db2.gz BFVBOEUHACADHV-JOCHJYFZSA-N 2 0 468.690 4.242 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300513829 1068894889 /nfs/dbraw/zinc/89/48/89/1068894889.db2.gz RLEJLICUBGDYLN-JOCHJYFZSA-N 2 0 454.663 4.137 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001300573187 1069086963 /nfs/dbraw/zinc/08/69/63/1069086963.db2.gz DNTTVWQJTLKARA-QHCPKHFHSA-N 2 0 482.717 4.168 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849523172 1069115849 /nfs/dbraw/zinc/11/58/49/1069115849.db2.gz UTBUUTJFCPWRKF-LOSJGSFVSA-N 2 0 472.077 4.012 20 0 JIADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597901 1069254470 /nfs/dbraw/zinc/25/44/70/1069254470.db2.gz WQNCMWYWNRINMZ-ULNSLHSMSA-N 2 0 493.740 4.426 20 0 JIADRP Cn1cnc2c1cc(C1CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC1)nc2-c1cccnc1 ZINC001164698173 719881493 /nfs/dbraw/zinc/88/14/93/719881493.db2.gz DLTZRQXMHPRIIO-UHFFFAOYSA-N 2 0 483.620 4.282 20 0 JIADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835776 720526673 /nfs/dbraw/zinc/52/66/73/720526673.db2.gz LGZUMXHOTGQIIO-NSVAZKTRSA-N 2 0 470.665 4.214 20 0 JIADRP CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837042 720651289 /nfs/dbraw/zinc/65/12/89/720651289.db2.gz AXJTVVFMRFZHSI-UNWVZKJWSA-N 2 0 491.030 4.231 20 0 JIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164780343 721373917 /nfs/dbraw/zinc/37/39/17/721373917.db2.gz GCKBHBVIRRJXGD-VPUSJEBWSA-N 2 0 467.658 4.352 20 0 JIADRP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164972438 722124832 /nfs/dbraw/zinc/12/48/32/722124832.db2.gz FICVZTZSRNGOCP-SQHAQQRYSA-N 2 0 453.590 4.207 20 0 JIADRP CC(C)(C)Cc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001359527566 1069817325 /nfs/dbraw/zinc/81/73/25/1069817325.db2.gz QIHSLGWPFYHSCR-QFIPXVFZSA-N 2 0 467.706 4.346 20 0 JIADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359548729 1069856161 /nfs/dbraw/zinc/85/61/61/1069856161.db2.gz OMHBSCRBZYNXFN-UHFFFAOYSA-N 2 0 482.717 4.475 20 0 JIADRP CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359658143 1070252621 /nfs/dbraw/zinc/25/26/21/1070252621.db2.gz VELUFTXNHHXMGV-HXUWFJFHSA-N 2 0 492.510 4.077 20 0 JIADRP CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CCCC1 ZINC001359663871 1070289469 /nfs/dbraw/zinc/28/94/69/1070289469.db2.gz WGTQKWDPPZTFBO-SANMLTNESA-N 2 0 495.760 4.246 20 0 JIADRP CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359664725 1070293012 /nfs/dbraw/zinc/29/30/12/1070293012.db2.gz LNMVKJIVBIHVLB-QFIPXVFZSA-N 2 0 458.720 4.361 20 0 JIADRP COc1cccc([C@@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549481 1064564288 /nfs/dbraw/zinc/56/42/88/1064564288.db2.gz QPQRLWOYULJKAI-XMMPIXPASA-N 2 0 468.690 4.199 20 0 JIADRP COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001315563401 1064591353 /nfs/dbraw/zinc/59/13/53/1064591353.db2.gz REGWOHVXYFGFQV-CUNXSJBXSA-N 2 0 468.690 4.385 20 0 JIADRP COCC[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001316066215 1065704407 /nfs/dbraw/zinc/70/44/07/1065704407.db2.gz WOLJDVAWTHGHRY-RUZDIDTESA-N 2 0 482.717 4.276 20 0 JIADRP COCC[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001316066217 1065704782 /nfs/dbraw/zinc/70/47/82/1065704782.db2.gz WOLJDVAWTHGHRY-VWLOTQADSA-N 2 0 482.717 4.276 20 0 JIADRP Cc1cccc(-c2nnc(N(CC(C)C)C(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001492504021 1066318034 /nfs/dbraw/zinc/31/80/34/1066318034.db2.gz FUHYMQFRUPJTNI-UHFFFAOYSA-N 2 0 476.673 4.127 20 0 JIADRP Cc1cccc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492518921 1066381471 /nfs/dbraw/zinc/38/14/71/1066381471.db2.gz WEVUPWCFQPDSBA-UHFFFAOYSA-N 2 0 453.679 4.081 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)c(OC)c1 ZINC001300062528 1067570146 /nfs/dbraw/zinc/57/01/46/1067570146.db2.gz DCVXITOANPEYBI-UHFFFAOYSA-N 2 0 472.678 4.002 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300068170 1067585894 /nfs/dbraw/zinc/58/58/94/1067585894.db2.gz ZWGSKUFMFLTLEK-QFIPXVFZSA-N 2 0 468.690 4.386 20 0 JIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001356338070 1067728480 /nfs/dbraw/zinc/72/84/80/1067728480.db2.gz IMNDNIMXXUBCJM-NRFANRHFSA-N 2 0 452.618 4.445 20 0 JIADRP C[C@@H]1C[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001356500725 1067765213 /nfs/dbraw/zinc/76/52/13/1067765213.db2.gz FKQJOJCZOLDALY-ISKFKSNPSA-N 2 0 459.638 4.142 20 0 JIADRP COc1cccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](C(C)C)CC2)[NH+](C)C)c1 ZINC001300338281 1068316305 /nfs/dbraw/zinc/31/63/05/1068316305.db2.gz AUNGOSRBPKEYTO-UBFVSLLYSA-N 2 0 498.716 4.039 20 0 JIADRP COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+](C)C)c1 ZINC001300340778 1068324655 /nfs/dbraw/zinc/32/46/55/1068324655.db2.gz OTPOHHICRWCLSZ-HSZRJFAPSA-N 2 0 454.663 4.168 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300389736 1068501804 /nfs/dbraw/zinc/50/18/04/1068501804.db2.gz QBELCAXNAYXRTM-QFIPXVFZSA-N 2 0 468.690 4.244 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300510721 1068887674 /nfs/dbraw/zinc/88/76/74/1068887674.db2.gz ZCULMAJXYRERQM-NRFANRHFSA-N 2 0 468.671 4.096 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001492587343 1069024151 /nfs/dbraw/zinc/02/41/51/1069024151.db2.gz MYYVTVAELIWQHF-QHCPKHFHSA-N 2 0 466.718 4.467 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001300572850 1069085337 /nfs/dbraw/zinc/08/53/37/1069085337.db2.gz MHKDSUYLLSVSKE-HSZRJFAPSA-N 2 0 482.717 4.307 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518236 1069104913 /nfs/dbraw/zinc/10/49/13/1069104913.db2.gz QKYIWPBVRJVKAI-UIOOFZCWSA-N 2 0 494.684 4.077 20 0 JIADRP CCC(CC)(CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000849545905 1069181990 /nfs/dbraw/zinc/18/19/90/1069181990.db2.gz YIIFIQVIAVMYTA-SDUSCBPUSA-N 2 0 453.675 4.260 20 0 JIADRP C[C@H]([NH2+]C1(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)CCOCC1)c1ccccc1 ZINC001200661592 1069206413 /nfs/dbraw/zinc/20/64/13/1069206413.db2.gz OOZAWFZQHSXCIC-NRFANRHFSA-N 2 0 457.062 4.081 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849559656 1069208907 /nfs/dbraw/zinc/20/89/07/1069208907.db2.gz VRRNFQOSAMWCDP-FQLXRVMXSA-N 2 0 487.692 4.395 20 0 JIADRP CCC1(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000849570033 1069220964 /nfs/dbraw/zinc/22/09/64/1069220964.db2.gz YONXULCDYHPFSE-IZZNHLLZSA-N 2 0 465.686 4.043 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849607972 1069266042 /nfs/dbraw/zinc/26/60/42/1069266042.db2.gz MMIJODCPOVMAJP-SFTDATJTSA-N 2 0 466.655 4.077 20 0 JIADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000849613979 1069275528 /nfs/dbraw/zinc/27/55/28/1069275528.db2.gz WKJXZLPDFPKYRF-XJXBIZEQSA-N 2 0 453.675 4.116 20 0 JIADRP CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164663373 719355233 /nfs/dbraw/zinc/35/52/33/719355233.db2.gz DHFUBEIXDKTARB-UHFFFAOYSA-N 2 0 486.664 4.249 20 0 JIADRP Fc1ccc(-c2nn(-c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)c3c2CC[NH2+]CC3)cc1 ZINC001164799495 721597122 /nfs/dbraw/zinc/59/71/22/721597122.db2.gz MLZBKOIIKFLCPN-UHFFFAOYSA-N 2 0 453.565 4.320 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)CC(=O)N(CC3CC3)c3ccccc34)c2)CC1 ZINC001164977131 722161265 /nfs/dbraw/zinc/16/12/65/722161265.db2.gz XJHHURNQVBLOMR-UHFFFAOYSA-N 2 0 460.622 4.240 20 0 JIADRP CC(C)(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359529519 1069819994 /nfs/dbraw/zinc/81/99/94/1069819994.db2.gz XEDLTTCUAHOSNK-UHFFFAOYSA-N 2 0 488.765 4.460 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001359546717 1069851189 /nfs/dbraw/zinc/85/11/89/1069851189.db2.gz NSEBDUHSBOISJS-QFIPXVFZSA-N 2 0 460.711 4.200 20 0 JIADRP CC(C)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001359677291 1070332010 /nfs/dbraw/zinc/33/20/10/1070332010.db2.gz ZMYUTQDEDRPHBG-FQEVSTJZSA-N 2 0 483.611 4.484 20 0 JIADRP COc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)c1 ZINC001315545410 1064550818 /nfs/dbraw/zinc/55/08/18/1064550818.db2.gz ASPFKFWGWOVLOA-SANMLTNESA-N 2 0 491.684 4.208 20 0 JIADRP COc1cccc([C@H](Cn2c(N3CC[NH+](C(C)(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548458 1064560152 /nfs/dbraw/zinc/56/01/52/1064560152.db2.gz JBMNECGAKTXYLN-QHCPKHFHSA-N 2 0 468.690 4.342 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001315603696 1064715716 /nfs/dbraw/zinc/71/57/16/1064715716.db2.gz BCVZZBCYEBBOQM-UHFFFAOYSA-N 2 0 468.690 4.386 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001315606068 1064721632 /nfs/dbraw/zinc/72/16/32/1064721632.db2.gz YCSUVTGLVFIZBH-QFIPXVFZSA-N 2 0 468.690 4.386 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC(C)(C)C[NH+](C)C ZINC001315608358 1064727540 /nfs/dbraw/zinc/72/75/40/1064727540.db2.gz WSOLFMCVKHKXSO-UHFFFAOYSA-N 2 0 456.679 4.100 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001316125358 1065794140 /nfs/dbraw/zinc/79/41/40/1065794140.db2.gz NMQKOECDNJLFDO-RBUKOAKNSA-N 2 0 495.499 4.141 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001316126069 1065797860 /nfs/dbraw/zinc/79/78/60/1065797860.db2.gz XAORTYORPXRBLB-FQEVSTJZSA-N 2 0 475.081 4.020 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001492534647 1066581482 /nfs/dbraw/zinc/58/14/82/1066581482.db2.gz JGIKHEYSEYGMMR-RPWUZVMVSA-N 2 0 452.691 4.228 20 0 JIADRP Cc1cc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317832658 1066717700 /nfs/dbraw/zinc/71/77/00/1066717700.db2.gz AKADJXVCXRMWPW-XMMPIXPASA-N 2 0 456.034 4.359 20 0 JIADRP COc1cc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc(Br)c1OC(F)F ZINC001318340445 1067023876 /nfs/dbraw/zinc/02/38/76/1067023876.db2.gz OKIDMYNQOQFPJI-UHFFFAOYSA-N 2 0 484.385 4.096 20 0 JIADRP COc1ccccc1[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[NH+]1CCCC1 ZINC001323085775 1067313721 /nfs/dbraw/zinc/31/37/21/1067313721.db2.gz KIWQRDPEGZBUBX-RUZDIDTESA-N 2 0 450.627 4.058 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC001300785034 1067345252 /nfs/dbraw/zinc/34/52/52/1067345252.db2.gz IGBYLMYTHGCDNA-JOCHJYFZSA-N 2 0 474.738 4.068 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCCC[NH+]2CCCC2)c(OC)c1 ZINC001300066745 1067581565 /nfs/dbraw/zinc/58/15/65/1067581565.db2.gz FPVPASGVJSOSCM-UHFFFAOYSA-N 2 0 484.689 4.149 20 0 JIADRP COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)[NH+](C)C)c1 ZINC001300340780 1068325601 /nfs/dbraw/zinc/32/56/01/1068325601.db2.gz OUKMZTTXZPRVFT-AREMUKBSSA-N 2 0 482.717 4.490 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001300510722 1068887730 /nfs/dbraw/zinc/88/77/30/1068887730.db2.gz ZCULMAJXYRERQM-OAQYLSRUSA-N 2 0 468.671 4.096 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001300566653 1069058662 /nfs/dbraw/zinc/05/86/62/1069058662.db2.gz DUKFJMKUZONJSP-HSZRJFAPSA-N 2 0 482.717 4.309 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001300568578 1069068403 /nfs/dbraw/zinc/06/84/03/1069068403.db2.gz UTLMJUKRBUPXTE-UHFFFAOYSA-N 2 0 482.717 4.453 20 0 JIADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505592 1069087068 /nfs/dbraw/zinc/08/70/68/1069087068.db2.gz IIQDYUISKRRMRR-PKTZIBPZSA-N 2 0 487.092 4.058 20 0 JIADRP CCCN(C(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849515848 1069102402 /nfs/dbraw/zinc/10/24/02/1069102402.db2.gz MXHSQJUKSZWOKO-OYUWMTPXSA-N 2 0 465.686 4.137 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849556127 1069201671 /nfs/dbraw/zinc/20/16/71/1069201671.db2.gz VNFSIGHJTIHRLV-SXOMAYOGSA-N 2 0 477.697 4.281 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849559661 1069210326 /nfs/dbraw/zinc/21/03/26/1069210326.db2.gz VRRNFQOSAMWCDP-VMPREFPWSA-N 2 0 487.692 4.395 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849574485 1069225301 /nfs/dbraw/zinc/22/53/01/1069225301.db2.gz YJZUIMFLGFOCCX-IZZNHLLZSA-N 2 0 451.659 4.147 20 0 JIADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600410 1069255840 /nfs/dbraw/zinc/25/58/40/1069255840.db2.gz HGMSTTOWNVSSQN-HZFUHODCSA-N 2 0 477.697 4.139 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849611147 1069270949 /nfs/dbraw/zinc/27/09/49/1069270949.db2.gz UGKMSTYXRXDNEK-JWQCQUIFSA-N 2 0 474.093 4.258 20 0 JIADRP Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CC[N@@H+]3C2)c1 ZINC001164907217 721567665 /nfs/dbraw/zinc/56/76/65/721567665.db2.gz MTYGRCCPVGTKPT-CTNGQTDRSA-N 2 0 478.946 4.138 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001315531386 1064516455 /nfs/dbraw/zinc/51/64/55/1064516455.db2.gz XJPAARSDSNGUFT-XMMPIXPASA-N 2 0 498.716 4.154 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315558807 1064582817 /nfs/dbraw/zinc/58/28/17/1064582817.db2.gz IWTRETKYOJGHEE-OAQYLSRUSA-N 2 0 454.663 4.041 20 0 JIADRP COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001315563403 1064591067 /nfs/dbraw/zinc/59/10/67/1064591067.db2.gz REGWOHVXYFGFQV-WXVAWEFUSA-N 2 0 468.690 4.385 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001315598760 1064703084 /nfs/dbraw/zinc/70/30/84/1064703084.db2.gz DMMSIJFAOZANFB-NRFANRHFSA-N 2 0 454.663 4.041 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001315599286 1064704141 /nfs/dbraw/zinc/70/41/41/1064704141.db2.gz GQGAMRKYEUAQTC-HSZRJFAPSA-N 2 0 454.663 4.041 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315601377 1064709849 /nfs/dbraw/zinc/70/98/49/1064709849.db2.gz WLNRXUJOLHCMJM-JOCHJYFZSA-N 2 0 454.663 4.137 20 0 JIADRP COc1ccccc1SCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001315664753 1064876436 /nfs/dbraw/zinc/87/64/36/1064876436.db2.gz BPTGRJKRMCWNJV-UHFFFAOYSA-N 2 0 486.730 4.376 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+](C)C(C)C)C[C@H]1C ZINC001316126157 1065798555 /nfs/dbraw/zinc/79/85/55/1065798555.db2.gz YJUIKHARMQOFKU-GOSISDBHSA-N 2 0 483.488 4.139 20 0 JIADRP CSC1(Cn2c(C(C)C)nnc2N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC001316397313 1066174969 /nfs/dbraw/zinc/17/49/69/1066174969.db2.gz DABFGVGVCMZLKW-JOCHJYFZSA-N 2 0 470.731 4.330 20 0 JIADRP Cc1cccn2cc(COc3ccc(C[NH2+]Cc4cccc(CN5CC[NH+](C)CC5)c4)cc3)nc12 ZINC001327213536 1066313547 /nfs/dbraw/zinc/31/35/47/1066313547.db2.gz WPMQGEJJTYPGNK-UHFFFAOYSA-N 2 0 469.633 4.259 20 0 JIADRP Cc1cc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317832656 1066717863 /nfs/dbraw/zinc/71/78/63/1066717863.db2.gz AKADJXVCXRMWPW-DEOSSOPVSA-N 2 0 456.034 4.359 20 0 JIADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)cc2)CC1 ZINC001351008356 1067030655 /nfs/dbraw/zinc/03/06/55/1067030655.db2.gz PEKAAWSBKDDKME-DEOSSOPVSA-N 2 0 454.684 4.482 20 0 JIADRP CN(C)c1cc[n+](C(C(=O)c2cccs2)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001319986703 1067084011 /nfs/dbraw/zinc/08/40/11/1067084011.db2.gz DLOOFCJVHNVOPA-UHFFFAOYSA-O 2 0 479.695 4.047 20 0 JIADRP COc1ccc([C@H](CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)[NH+]2CCCCC2)cc1 ZINC001321654276 1067190422 /nfs/dbraw/zinc/19/04/22/1067190422.db2.gz HDDSODROYNGXEP-SANMLTNESA-N 2 0 465.642 4.104 20 0 JIADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1c(F)cc(Br)cc1Br ZINC001200800287 1067192907 /nfs/dbraw/zinc/19/29/07/1067192907.db2.gz RONMZORCFGBZBU-UHFFFAOYSA-N 2 0 498.304 4.253 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300062692 1067570772 /nfs/dbraw/zinc/57/07/72/1067570772.db2.gz IUKIOVQAFBGOPK-XMMPIXPASA-N 2 0 498.716 4.393 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300062982 1067571613 /nfs/dbraw/zinc/57/16/13/1067571613.db2.gz LFTZQOXIVLRLFC-XMMPIXPASA-N 2 0 484.689 4.003 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300062981 1067571732 /nfs/dbraw/zinc/57/17/32/1067571732.db2.gz LFTZQOXIVLRLFC-DEOSSOPVSA-N 2 0 484.689 4.003 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC001300067287 1067582902 /nfs/dbraw/zinc/58/29/02/1067582902.db2.gz NWVLHWOSCFUCET-OAQYLSRUSA-N 2 0 484.689 4.003 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001300070571 1067591016 /nfs/dbraw/zinc/59/10/16/1067591016.db2.gz JLDKGOXNCPUPQF-UHFFFAOYSA-N 2 0 484.689 4.005 20 0 JIADRP COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300071664 1067594096 /nfs/dbraw/zinc/59/40/96/1067594096.db2.gz VTMKXPGGCSANQN-QFIPXVFZSA-N 2 0 498.716 4.392 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001300076994 1067605694 /nfs/dbraw/zinc/60/56/94/1067605694.db2.gz VFZIFUBWEJNADA-UHFFFAOYSA-N 2 0 498.716 4.397 20 0 JIADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@@H](C)C1 ZINC001353377343 1068070826 /nfs/dbraw/zinc/07/08/26/1068070826.db2.gz WANQXMSPTOESRR-BJBOMGFNSA-N 2 0 477.693 4.330 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001492587342 1069024310 /nfs/dbraw/zinc/02/43/10/1069024310.db2.gz MYYVTVAELIWQHF-HSZRJFAPSA-N 2 0 466.718 4.467 20 0 JIADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492995 1069061616 /nfs/dbraw/zinc/06/16/16/1069061616.db2.gz IGARZWUGSJJDDX-NSOVKSMOSA-N 2 0 471.649 4.035 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001300572780 1069085400 /nfs/dbraw/zinc/08/54/00/1069085400.db2.gz LDLHAJDKBYTSHH-VWLOTQADSA-N 2 0 482.717 4.166 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518234 1069105143 /nfs/dbraw/zinc/10/51/43/1069105143.db2.gz QKYIWPBVRJVKAI-IZZNHLLZSA-N 2 0 494.684 4.077 20 0 JIADRP FC(F)(F)[C@H]1N(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CCC12CC[NH2+]CC2 ZINC001164389435 718816097 /nfs/dbraw/zinc/81/60/97/718816097.db2.gz WGPAVULJFKLJDS-KRWDZBQOSA-N 2 0 450.883 4.167 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4ccccc4C4(CCN(C(=O)c5ccco5)CC4)C3)c2)CC1 ZINC001164841959 720744454 /nfs/dbraw/zinc/74/44/54/720744454.db2.gz BCGLWODPTXBOAR-UHFFFAOYSA-N 2 0 486.616 4.342 20 0 JIADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC001165020263 721841643 /nfs/dbraw/zinc/84/16/43/721841643.db2.gz BHSIRFCTJJVEIQ-UHFFFAOYSA-N 2 0 451.567 4.370 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C=C(C(=O)NCC5CC5)c5ccccc54)CC3)c2)CC1 ZINC001164999961 722220863 /nfs/dbraw/zinc/22/08/63/722220863.db2.gz UNGDZELBQLCILY-UHFFFAOYSA-N 2 0 472.633 4.016 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001300651863 1069337099 /nfs/dbraw/zinc/33/70/99/1069337099.db2.gz GNGMSWUIRMPVRV-HSZRJFAPSA-N 2 0 484.689 4.051 20 0 JIADRP CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001359550037 1069857845 /nfs/dbraw/zinc/85/78/45/1069857845.db2.gz MQQZIWXFOKGNMN-UHFFFAOYSA-N 2 0 468.690 4.085 20 0 JIADRP CC(C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001359685551 1070341556 /nfs/dbraw/zinc/34/15/56/1070341556.db2.gz WUEWDQGKWYPTDS-DEOSSOPVSA-N 2 0 481.714 4.024 20 0 JIADRP COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001315563397 1064591213 /nfs/dbraw/zinc/59/12/13/1064591213.db2.gz REGWOHVXYFGFQV-AJTFRIOCSA-N 2 0 468.690 4.385 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315629417 1064777794 /nfs/dbraw/zinc/77/77/94/1064777794.db2.gz LUGRFLVWSNXUGH-DEOSSOPVSA-N 2 0 482.717 4.309 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001315630016 1064778863 /nfs/dbraw/zinc/77/88/63/1064778863.db2.gz SOMCWGYIHDNWER-HSZRJFAPSA-N 2 0 482.717 4.166 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001316124717 1065792501 /nfs/dbraw/zinc/79/25/01/1065792501.db2.gz DDIHSHZBNCLHED-IBGZPJMESA-N 2 0 495.499 4.285 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCC[NH+](C)C(C)C)C[C@@H]1C ZINC001316125443 1065794916 /nfs/dbraw/zinc/79/49/16/1065794916.db2.gz JVOFWIXTSLBHQP-NRFANRHFSA-N 2 0 488.746 4.163 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001492515755 1066361963 /nfs/dbraw/zinc/36/19/63/1066361963.db2.gz GHZASXRWBWRGST-UHFFFAOYSA-N 2 0 453.679 4.081 20 0 JIADRP Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC001338755561 1066570612 /nfs/dbraw/zinc/57/06/12/1066570612.db2.gz JMXUXLNMWWHRPS-UHFFFAOYSA-N 2 0 458.672 4.221 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001492547136 1066915176 /nfs/dbraw/zinc/91/51/76/1066915176.db2.gz PAZNPPBKVMSFSH-XMMPIXPASA-N 2 0 468.690 4.351 20 0 JIADRP Cc1cccc(-c2nnc(N(C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492497539 1067338750 /nfs/dbraw/zinc/33/87/50/1067338750.db2.gz ZZSCCUXPXSQOGT-UKILVPOCSA-N 2 0 475.685 4.478 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001300783533 1067341223 /nfs/dbraw/zinc/34/12/23/1067341223.db2.gz ZRWOBHKKBRVXFD-UHFFFAOYSA-N 2 0 475.081 4.018 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300043637 1067482935 /nfs/dbraw/zinc/48/29/35/1067482935.db2.gz HCLNWATUSFLEOV-OAQYLSRUSA-N 2 0 454.663 4.185 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300062579 1067570174 /nfs/dbraw/zinc/57/01/74/1067570174.db2.gz FBPIRTOYXPOMFL-QHCPKHFHSA-N 2 0 468.690 4.386 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC001300067723 1067583888 /nfs/dbraw/zinc/58/38/88/1067583888.db2.gz SWEDIZWWAZYAEY-NRFANRHFSA-N 2 0 484.689 4.147 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001300071220 1067592734 /nfs/dbraw/zinc/59/27/34/1067592734.db2.gz QOFDPZCSDUKNLL-HSZRJFAPSA-N 2 0 468.671 4.096 20 0 JIADRP C[C@@H]1CN([C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c2c(F)cccc2Cl)CCO1 ZINC000849058188 1067789289 /nfs/dbraw/zinc/78/92/89/1067789289.db2.gz VCCFGJPEKQFDOO-DVECYGJZSA-N 2 0 488.051 4.019 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001300292432 1068098930 /nfs/dbraw/zinc/09/89/30/1068098930.db2.gz SPZAIACOUDJKCN-HSZRJFAPSA-N 2 0 484.689 4.051 20 0 JIADRP COc1cccc([C@H](Cn2c(CC3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)c1 ZINC001300340102 1068321305 /nfs/dbraw/zinc/32/13/05/1068321305.db2.gz KROUUHOSGSJEBC-VWLOTQADSA-N 2 0 468.690 4.100 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001300376630 1068449805 /nfs/dbraw/zinc/44/98/05/1068449805.db2.gz RODFNPJGTQEJPN-QFIPXVFZSA-N 2 0 468.671 4.285 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300387985 1068494779 /nfs/dbraw/zinc/49/47/79/1068494779.db2.gz GAOKRGPIOKLKOJ-SZPZYZBQSA-N 2 0 468.690 4.242 20 0 JIADRP CC(C)(C)OC(=O)NC1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001474576828 1068870323 /nfs/dbraw/zinc/87/03/23/1068870323.db2.gz BCGILKQVNAMCGD-UHFFFAOYSA-N 3 0 458.691 4.398 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001300557276 1069016003 /nfs/dbraw/zinc/01/60/03/1069016003.db2.gz JRHNOTNFDWXCIT-JOCHJYFZSA-N 2 0 468.690 4.109 20 0 JIADRP CCCN(C(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849515854 1069102511 /nfs/dbraw/zinc/10/25/11/1069102511.db2.gz MXHSQJUKSZWOKO-ZONZVBGPSA-N 2 0 465.686 4.137 20 0 JIADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518901 1069109062 /nfs/dbraw/zinc/10/90/62/1069109062.db2.gz SUSFGKFHSIOXMJ-SXOMAYOGSA-N 2 0 473.665 4.025 20 0 JIADRP CCC(CC)(CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000849545903 1069181637 /nfs/dbraw/zinc/18/16/37/1069181637.db2.gz YIIFIQVIAVMYTA-GPUOULLFSA-N 2 0 453.675 4.260 20 0 JIADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597898 1069254310 /nfs/dbraw/zinc/25/43/10/1069254310.db2.gz WQNCMWYWNRINMZ-MPFGFTFXSA-N 2 0 493.740 4.426 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849611146 1069269782 /nfs/dbraw/zinc/26/97/82/1069269782.db2.gz UGKMSTYXRXDNEK-DQEYMECFSA-N 2 0 474.093 4.258 20 0 JIADRP Clc1ncc2c(c1N1CCC(C3C[NH2+]C3)CC1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164614250 719037356 /nfs/dbraw/zinc/03/73/56/719037356.db2.gz ABHWSDXBPDKTDS-UHFFFAOYSA-N 2 0 453.030 4.192 20 0 JIADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1 ZINC001164845206 720743496 /nfs/dbraw/zinc/74/34/96/720743496.db2.gz XDCVXKGLEALOOT-DEOSSOPVSA-N 2 0 471.653 4.376 20 0 JIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2nc3c(cc2C(=O)NCC2CC2)CC[NH2+]CC3)C(C)C)nc1 ZINC001164998275 722220523 /nfs/dbraw/zinc/22/05/23/722220523.db2.gz IADBXTHEJCWWBM-AREMUKBSSA-N 2 0 490.696 4.398 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300651865 1069336828 /nfs/dbraw/zinc/33/68/28/1069336828.db2.gz GNGMSWUIRMPVRV-QHCPKHFHSA-N 2 0 484.689 4.051 20 0 JIADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCC[C@@H]2CO)CC1 ZINC001359548008 1069854388 /nfs/dbraw/zinc/85/43/88/1069854388.db2.gz KYXPHLFKQJEAGV-OAQYLSRUSA-N 2 0 489.108 4.146 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001315598762 1064703113 /nfs/dbraw/zinc/70/31/13/1064703113.db2.gz DMMSIJFAOZANFB-OAQYLSRUSA-N 2 0 454.663 4.041 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC[N@H+](C)C(C)C ZINC001315598879 1064703185 /nfs/dbraw/zinc/70/31/85/1064703185.db2.gz MNHACOYDCQBZBK-UHFFFAOYSA-N 2 0 468.690 4.386 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+](C)C(C)C)C[C@@H]1C ZINC001316126160 1065798972 /nfs/dbraw/zinc/79/89/72/1065798972.db2.gz YJUIKHARMQOFKU-SFHVURJKSA-N 2 0 483.488 4.139 20 0 JIADRP CSC1(Cn2c(Cc3ccsc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001316410876 1066199872 /nfs/dbraw/zinc/19/98/72/1066199872.db2.gz ITKSEIYTDKNHRM-UHFFFAOYSA-N 2 0 490.787 4.316 20 0 JIADRP CS[C@H]1CCCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001316426575 1066247767 /nfs/dbraw/zinc/24/77/67/1066247767.db2.gz NEJVBUUCQPBWNK-QHCPKHFHSA-N 2 0 485.746 4.196 20 0 JIADRP Cc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492519410 1066382708 /nfs/dbraw/zinc/38/27/08/1066382708.db2.gz LXGRBVAVTQEGEO-UHFFFAOYSA-N 2 0 455.695 4.326 20 0 JIADRP Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001317846668 1066729474 /nfs/dbraw/zinc/72/94/74/1066729474.db2.gz VNEUIBGAQFBVNN-UHFFFAOYSA-N 2 0 456.034 4.186 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2[NH+](C)CCCC2(C)C)c1 ZINC001492546378 1066773478 /nfs/dbraw/zinc/77/34/78/1066773478.db2.gz VGDOJZRQDPCWMW-XMMPIXPASA-N 2 0 468.690 4.206 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300062578 1067570374 /nfs/dbraw/zinc/57/03/74/1067570374.db2.gz FBPIRTOYXPOMFL-HSZRJFAPSA-N 2 0 468.690 4.386 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001300062727 1067570653 /nfs/dbraw/zinc/57/06/53/1067570653.db2.gz JLKLNZSLLRXVTA-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP [NH2+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849066960 1067794623 /nfs/dbraw/zinc/79/46/23/1067794623.db2.gz STMWGKHCJGYVMD-HXUWFJFHSA-N 2 0 470.459 4.054 20 0 JIADRP [NH2+]=C(NCc1cccc(C(=O)OCc2ccccc2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849074682 1067797275 /nfs/dbraw/zinc/79/72/75/1067797275.db2.gz KVHWQGNIPXRNCO-UHFFFAOYSA-N 2 0 456.590 4.322 20 0 JIADRP [NH2+]=C(NCCCCCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)OCCCO2 ZINC000849086375 1067797938 /nfs/dbraw/zinc/79/79/38/1067797938.db2.gz NAXZAJCEOHCGJT-UHFFFAOYSA-N 2 0 496.612 4.142 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001492585534 1067828580 /nfs/dbraw/zinc/82/85/80/1067828580.db2.gz IIPIVIPQTZBVSH-UHFFFAOYSA-N 2 0 452.691 4.362 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCC[NH+]1CCCO[C@@H](C)C1 ZINC001492563899 1068046701 /nfs/dbraw/zinc/04/67/01/1068046701.db2.gz PXOQECYVOLMOCH-DEOSSOPVSA-N 2 0 482.717 4.311 20 0 JIADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@H](C)C1 ZINC001353377344 1068070759 /nfs/dbraw/zinc/07/07/59/1068070759.db2.gz WANQXMSPTOESRR-FKGPWWPUSA-N 2 0 477.693 4.330 20 0 JIADRP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC001200332244 1068097745 /nfs/dbraw/zinc/09/77/45/1068097745.db2.gz GOFJDAGGCRNSSX-UHFFFAOYSA-N 2 0 457.416 4.216 20 0 JIADRP COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001300369684 1068417656 /nfs/dbraw/zinc/41/76/56/1068417656.db2.gz ISMSXGSNTMYAAC-UHFFFAOYSA-N 2 0 456.679 4.098 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001300376629 1068449732 /nfs/dbraw/zinc/44/97/32/1068449732.db2.gz RODFNPJGTQEJPN-JOCHJYFZSA-N 2 0 468.671 4.285 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001300485648 1068845009 /nfs/dbraw/zinc/84/50/09/1068845009.db2.gz IRMSSXUNCJJLEF-JOCHJYFZSA-N 2 0 468.690 4.242 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849492108 1069059538 /nfs/dbraw/zinc/05/95/38/1069059538.db2.gz BYHHSUUWHRANPV-IZLXSDGUSA-N 2 0 473.665 4.279 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575305 1069226043 /nfs/dbraw/zinc/22/60/43/1069226043.db2.gz ZYRLKZWRARHFKI-SGIRGMQISA-N 2 0 487.639 4.244 20 0 JIADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606731 1069264926 /nfs/dbraw/zinc/26/49/26/1069264926.db2.gz RCBCDGLPSXZIIA-WUFINQPMSA-N 2 0 471.649 4.474 20 0 JIADRP [NH3+]C1CC2(C1)CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)CC2 ZINC001164387239 718802207 /nfs/dbraw/zinc/80/22/07/718802207.db2.gz KFGMRDIUILWCIV-UHFFFAOYSA-N 2 0 453.030 4.464 20 0 JIADRP CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164733110 720548418 /nfs/dbraw/zinc/54/84/18/720548418.db2.gz JPJFTNSVKJMHDH-SFHVURJKSA-N 2 0 454.993 4.173 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CCC(CC(=O)N5CC=CC5)CC4)CC3)c2)CC1 ZINC001164777030 721328699 /nfs/dbraw/zinc/32/86/99/721328699.db2.gz KMIZHOYNIIYEAV-UHFFFAOYSA-N 2 0 452.643 4.120 20 0 JIADRP c1ccc(C[N@@H+]2CCc3nc(N4CCC5(CC4)COCC[NH+](Cc4ccncc4)C5)ccc3C2)cc1 ZINC001164963827 722054284 /nfs/dbraw/zinc/05/42/84/722054284.db2.gz MSFRAFNDLKIMDX-UHFFFAOYSA-N 2 0 483.660 4.154 20 0 JIADRP CC(C)(C)Cc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001359536904 1069831277 /nfs/dbraw/zinc/83/12/77/1069831277.db2.gz CEHSGKUUMXGBBS-UHFFFAOYSA-N 2 0 458.720 4.297 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001359546707 1069851142 /nfs/dbraw/zinc/85/11/42/1069851142.db2.gz NKBXXSQGCIIHMD-UHFFFAOYSA-N 2 0 474.097 4.428 20 0 JIADRP CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001359658905 1070261814 /nfs/dbraw/zinc/26/18/14/1070261814.db2.gz LHBNRUDLWJAHGS-OAQYLSRUSA-N 2 0 474.097 4.425 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315606234 1064722308 /nfs/dbraw/zinc/72/23/08/1064722308.db2.gz BITFWUUEPQVITB-QFIPXVFZSA-N 2 0 468.671 4.096 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001315629489 1064777752 /nfs/dbraw/zinc/77/77/52/1064777752.db2.gz HOQHCWDMRQRTJK-UHFFFAOYSA-N 2 0 482.717 4.451 20 0 JIADRP COCC[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001316065854 1065703845 /nfs/dbraw/zinc/70/38/45/1065703845.db2.gz QNDOEOFMTDXPRO-UHFFFAOYSA-N 2 0 475.081 4.022 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001316124718 1065791962 /nfs/dbraw/zinc/79/19/62/1065791962.db2.gz DDIHSHZBNCLHED-LJQANCHMSA-N 2 0 495.499 4.285 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001316125568 1065795165 /nfs/dbraw/zinc/79/51/65/1065795165.db2.gz QMWDAHBVQBLKFP-SFHVURJKSA-N 2 0 495.499 4.283 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001316125902 1065797371 /nfs/dbraw/zinc/79/73/71/1065797371.db2.gz WPECRHSKWCIQMK-QFIPXVFZSA-N 2 0 489.108 4.268 20 0 JIADRP Cc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492517510 1066372840 /nfs/dbraw/zinc/37/28/40/1066372840.db2.gz VLFGCWCHPNLLHJ-SFTDATJTSA-N 2 0 467.706 4.326 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001492545451 1066735767 /nfs/dbraw/zinc/73/57/67/1066735767.db2.gz BXSXLOOQKZXESL-HSZRJFAPSA-N 2 0 468.690 4.208 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2[NH+](C)CCCC2(C)C)c1 ZINC001492546377 1066773342 /nfs/dbraw/zinc/77/33/42/1066773342.db2.gz VGDOJZRQDPCWMW-DEOSSOPVSA-N 2 0 468.690 4.206 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001492546985 1066857135 /nfs/dbraw/zinc/85/71/35/1066857135.db2.gz JYKQIICWWFNZTK-ZEQRLZLVSA-N 2 0 468.690 4.064 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001300785136 1067345705 /nfs/dbraw/zinc/34/57/05/1067345705.db2.gz BBYWWHDAUIVVCS-UHFFFAOYSA-N 2 0 496.744 4.263 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001300044933 1067491349 /nfs/dbraw/zinc/49/13/49/1067491349.db2.gz YVJVRKIUANUNCX-UHFFFAOYSA-N 2 0 484.689 4.051 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC(C)(C)C[NH+](C)C)cc1OC ZINC001300070948 1067591692 /nfs/dbraw/zinc/59/16/92/1067591692.db2.gz OVLXGJFWQMZKFU-UHFFFAOYSA-N 2 0 484.689 4.005 20 0 JIADRP [NH2+]=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000849058738 1067789355 /nfs/dbraw/zinc/78/93/55/1067789355.db2.gz QXKKFOINMHTHAT-UHFFFAOYSA-N 2 0 471.605 4.307 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001300388410 1068496597 /nfs/dbraw/zinc/49/65/97/1068496597.db2.gz GSWXFLLVBVKHCW-XMMPIXPASA-N 2 0 468.690 4.385 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001300506007 1068877456 /nfs/dbraw/zinc/87/74/56/1068877456.db2.gz NADZDPKMZLTTPS-JOCHJYFZSA-N 2 0 468.671 4.239 20 0 JIADRP COc1ccccc1Cc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300548687 1068993426 /nfs/dbraw/zinc/99/34/26/1068993426.db2.gz OBNFWLRODCYOQM-ISKFKSNPSA-N 2 0 468.690 4.059 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001492587595 1069025951 /nfs/dbraw/zinc/02/59/51/1069025951.db2.gz WMHPSDFRZLXKHY-UHFFFAOYSA-N 2 0 452.691 4.220 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001300566641 1069058058 /nfs/dbraw/zinc/05/80/58/1069058058.db2.gz DNIXGMCWDJNWNQ-DEOSSOPVSA-N 2 0 482.717 4.166 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001300567201 1069059651 /nfs/dbraw/zinc/05/96/51/1069059651.db2.gz IRQRBXCTWLHYNB-UHFFFAOYSA-N 2 0 482.717 4.454 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300568577 1069068422 /nfs/dbraw/zinc/06/84/22/1069068422.db2.gz UTCOSZOMFJOWMK-QHCPKHFHSA-N 2 0 468.690 4.063 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001300568714 1069068442 /nfs/dbraw/zinc/06/84/42/1069068442.db2.gz WVYQBYVHUZADJK-UHFFFAOYSA-N 2 0 468.690 4.063 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849505289 1069084547 /nfs/dbraw/zinc/08/45/47/1069084547.db2.gz GVWWNDCKRYKVII-SXOMAYOGSA-N 2 0 465.686 4.315 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849523171 1069115789 /nfs/dbraw/zinc/11/57/89/1069115789.db2.gz UTBUUTJFCPWRKF-JWQCQUIFSA-N 2 0 472.077 4.012 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849575306 1069226236 /nfs/dbraw/zinc/22/62/36/1069226236.db2.gz ZYRLKZWRARHFKI-WRALFONMSA-N 2 0 487.639 4.244 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C4(CC[C@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1 ZINC001164616555 719011457 /nfs/dbraw/zinc/01/14/57/719011457.db2.gz LBFVMAYTMHEBEK-KHVXQDHOSA-N 2 0 454.659 4.168 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001359546653 1069850809 /nfs/dbraw/zinc/85/08/09/1069850809.db2.gz LVSHMGZNPSBFPK-UHFFFAOYSA-N 2 0 474.097 4.428 20 0 JIADRP COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001315563399 1064591379 /nfs/dbraw/zinc/59/13/79/1064591379.db2.gz REGWOHVXYFGFQV-AMGIVPHBSA-N 2 0 468.690 4.385 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001315606240 1064722417 /nfs/dbraw/zinc/72/24/17/1064722417.db2.gz BKRHNLNNFMSSBB-QHCPKHFHSA-N 2 0 468.690 4.244 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001315606478 1064722730 /nfs/dbraw/zinc/72/27/30/1064722730.db2.gz HDPQIXJCFXZEFG-QHCPKHFHSA-N 2 0 498.716 4.152 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315630017 1064779028 /nfs/dbraw/zinc/77/90/28/1064779028.db2.gz SOMCWGYIHDNWER-QHCPKHFHSA-N 2 0 482.717 4.166 20 0 JIADRP COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001315662672 1064866692 /nfs/dbraw/zinc/86/66/92/1064866692.db2.gz AKGUHTIRKLALEF-NRFANRHFSA-N 2 0 486.730 4.278 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001315706765 1064979185 /nfs/dbraw/zinc/97/91/85/1064979185.db2.gz XJADPSNGWCVBAE-QHCPKHFHSA-N 2 0 482.717 4.176 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001492513941 1066354469 /nfs/dbraw/zinc/35/44/69/1066354469.db2.gz MHARECZTZMQVPK-XMMPIXPASA-N 2 0 467.706 4.471 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001492543144 1066663953 /nfs/dbraw/zinc/66/39/53/1066663953.db2.gz BPVLZJKBBLDNAU-BJKOFHAPSA-N 2 0 468.690 4.206 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001492543802 1066668833 /nfs/dbraw/zinc/66/88/33/1066668833.db2.gz YNDDOSCAFVPMPO-QHCPKHFHSA-N 2 0 482.698 4.497 20 0 JIADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001317853691 1066733992 /nfs/dbraw/zinc/73/39/92/1066733992.db2.gz XFGSRFMPWNDQQY-ZEQRLZLVSA-N 2 0 490.604 4.006 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001492547599 1066932379 /nfs/dbraw/zinc/93/23/79/1066932379.db2.gz DKBLZLLGQVVRTN-QHCPKHFHSA-N 2 0 468.690 4.208 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300061932 1067567545 /nfs/dbraw/zinc/56/75/45/1067567545.db2.gz RYEMXCKHUPRVDM-OAQYLSRUSA-N 2 0 498.697 4.247 20 0 JIADRP COc1ccc(CCc2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001300122753 1067742414 /nfs/dbraw/zinc/74/24/14/1067742414.db2.gz JBOMITITJCUYNJ-VWLOTQADSA-N 2 0 482.717 4.113 20 0 JIADRP [NH2+]=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849066609 1067794894 /nfs/dbraw/zinc/79/48/94/1067794894.db2.gz JKJGXFPDQRHBSN-UHFFFAOYSA-N 2 0 456.516 4.170 20 0 JIADRP CC(C)(C)OC(=O)NCCc1ccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000849074806 1067797593 /nfs/dbraw/zinc/79/75/93/1067797593.db2.gz ADVOUJNWOQCIHD-UHFFFAOYSA-N 2 0 465.642 4.032 20 0 JIADRP C[C@@H]([NH2+]Cc1ccc(I)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001200253657 1067892352 /nfs/dbraw/zinc/89/23/52/1067892352.db2.gz DORYDABKTXDYQW-CYBMUJFWSA-N 2 0 459.372 4.094 20 0 JIADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001358030774 1067993677 /nfs/dbraw/zinc/99/36/77/1067993677.db2.gz VGAVMZNWBBYKMF-WHSBFGAESA-N 2 0 466.645 4.303 20 0 JIADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4c(F)cccc4F)s3)c2)C1 ZINC001200346499 1068165494 /nfs/dbraw/zinc/16/54/94/1068165494.db2.gz NVLYDQTZIUNLRH-SFHVURJKSA-N 2 0 456.562 4.075 20 0 JIADRP COc1cccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)[NH+](C)C)c1 ZINC001300340139 1068321581 /nfs/dbraw/zinc/32/15/81/1068321581.db2.gz LCOAQEGVWKYZRJ-UPVQGACJSA-N 2 0 468.690 4.243 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001300506008 1068877633 /nfs/dbraw/zinc/87/76/33/1068877633.db2.gz NADZDPKMZLTTPS-QFIPXVFZSA-N 2 0 468.671 4.239 20 0 JIADRP COc1ccccc1Cc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300548688 1068993218 /nfs/dbraw/zinc/99/32/18/1068993218.db2.gz OBNFWLRODCYOQM-LADGPHEKSA-N 2 0 468.690 4.059 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001300572779 1069085387 /nfs/dbraw/zinc/08/53/87/1069085387.db2.gz LDLHAJDKBYTSHH-RUZDIDTESA-N 2 0 482.717 4.166 20 0 JIADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505593 1069087185 /nfs/dbraw/zinc/08/71/85/1069087185.db2.gz IIQDYUISKRRMRR-XZOQPEGZSA-N 2 0 487.092 4.058 20 0 JIADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849597899 1069254003 /nfs/dbraw/zinc/25/40/03/1069254003.db2.gz WQNCMWYWNRINMZ-NLDZOOGBSA-N 2 0 493.740 4.426 20 0 JIADRP CN(C)C(=O)CO[C@H]1CCC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164630607 719140056 /nfs/dbraw/zinc/14/00/56/719140056.db2.gz JUBSNSKJQNGQRD-SANMLTNESA-N 2 0 492.664 4.033 20 0 JIADRP Clc1ncc2c(c1N1C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C1)O3)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164967200 722074929 /nfs/dbraw/zinc/07/49/29/722074929.db2.gz NPPYWZWSZXUWBJ-ZRZAMGCNSA-N 2 0 495.067 4.056 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001315559540 1064584406 /nfs/dbraw/zinc/58/44/06/1064584406.db2.gz UUVQZDNDNOJIES-UHFFFAOYSA-N 2 0 468.690 4.433 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001315629909 1064778917 /nfs/dbraw/zinc/77/89/17/1064778917.db2.gz QSIZEAPMXXGIND-QFIPXVFZSA-N 2 0 482.717 4.309 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001315656668 1064847915 /nfs/dbraw/zinc/84/79/15/1064847915.db2.gz HTNBSTILRJDMRF-DEOSSOPVSA-N 2 0 498.716 4.297 20 0 JIADRP COc1ccccc1SCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001315662673 1064866744 /nfs/dbraw/zinc/86/67/44/1064866744.db2.gz AKGUHTIRKLALEF-OAQYLSRUSA-N 2 0 486.730 4.278 20 0 JIADRP COc1ccccc1SCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001315664879 1064877038 /nfs/dbraw/zinc/87/70/38/1064877038.db2.gz MUSDGCPNDNOEEJ-UHFFFAOYSA-N 2 0 486.730 4.231 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001316125356 1065793857 /nfs/dbraw/zinc/79/38/57/1065793857.db2.gz NMQKOECDNJLFDO-MOPGFXCFSA-N 2 0 495.499 4.141 20 0 JIADRP C[C@@H]1C[N@@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCC(C)(C)C3)CC2)C[C@H](C)O1 ZINC001316505176 1066478579 /nfs/dbraw/zinc/47/85/79/1066478579.db2.gz ULXDFOXJADBBJK-ZRZAMGCNSA-N 2 0 488.765 4.314 20 0 JIADRP CCC[NH+]1CCN(c2ccc(NC(=O)N(C)C3CC[NH+](CCc4ccccn4)CC3)cc2Cl)CC1 ZINC001318304713 1067008743 /nfs/dbraw/zinc/00/87/43/1067008743.db2.gz ZZJITNOXBHFIOX-UHFFFAOYSA-N 2 0 499.103 4.438 20 0 JIADRP COC1CC[NH+](C2(Cn3c(N4CCC[N@@H+](C(C)(C)C)CC4)nnc3C(C)(C)C)CCCC2)CC1 ZINC001300790563 1067360547 /nfs/dbraw/zinc/36/05/47/1067360547.db2.gz FSAPTMIRDYMDOC-UHFFFAOYSA-N 2 0 474.738 4.310 20 0 JIADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001355499624 1067492083 /nfs/dbraw/zinc/49/20/83/1067492083.db2.gz YQPQPDIGAYLGPG-OZNIXHKMSA-N 2 0 463.666 4.170 20 0 JIADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)C1 ZINC001355499623 1067492163 /nfs/dbraw/zinc/49/21/63/1067492163.db2.gz YQPQPDIGAYLGPG-HZFUHODCSA-N 2 0 463.666 4.170 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300061585 1067565208 /nfs/dbraw/zinc/56/52/08/1067565208.db2.gz KGQUCICQYWSPHH-JOCHJYFZSA-N 2 0 498.716 4.393 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC001300061931 1067567618 /nfs/dbraw/zinc/56/76/18/1067567618.db2.gz RYEMXCKHUPRVDM-NRFANRHFSA-N 2 0 498.697 4.247 20 0 JIADRP COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300070740 1067591446 /nfs/dbraw/zinc/59/14/46/1067591446.db2.gz LEOSUMISMIPTNN-URXFXBBRSA-N 2 0 498.716 4.249 20 0 JIADRP COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849059524 1067789576 /nfs/dbraw/zinc/78/95/76/1067789576.db2.gz PODVYAGFQGWDAO-UHFFFAOYSA-N 2 0 475.593 4.170 20 0 JIADRP [NH2+]=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849061605 1067790949 /nfs/dbraw/zinc/79/09/49/1067790949.db2.gz QNXLEQGASLRYRB-QHCPKHFHSA-N 2 0 458.025 4.395 20 0 JIADRP COc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001300294814 1068111460 /nfs/dbraw/zinc/11/14/60/1068111460.db2.gz VGOGKJSTAORYAT-QDPGVEIFSA-N 2 0 498.716 4.154 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001492585649 1068125221 /nfs/dbraw/zinc/12/52/21/1068125221.db2.gz LEVMYHOEMLUDCS-QHCPKHFHSA-N 2 0 452.691 4.220 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001300506440 1068878714 /nfs/dbraw/zinc/87/87/14/1068878714.db2.gz ACGFMWMKNYJQIK-NRFANRHFSA-N 2 0 468.690 4.385 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492586516 1069003672 /nfs/dbraw/zinc/00/36/72/1069003672.db2.gz KHCAIZPWQDQDSF-XMMPIXPASA-N 2 0 452.691 4.218 20 0 JIADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483158 1069051112 /nfs/dbraw/zinc/05/11/12/1069051112.db2.gz FXHVVGWMEZHJJO-BGWNEDDSSA-N 2 0 460.066 4.087 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849556123 1069202122 /nfs/dbraw/zinc/20/21/22/1069202122.db2.gz VNFSIGHJTIHRLV-RRPNLBNLSA-N 2 0 477.697 4.281 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849574486 1069225172 /nfs/dbraw/zinc/22/51/72/1069225172.db2.gz YJZUIMFLGFOCCX-UIOOFZCWSA-N 2 0 451.659 4.147 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849598852 1069256451 /nfs/dbraw/zinc/25/64/51/1069256451.db2.gz HSDKKWMRJAKRDV-HZFUHODCSA-N 2 0 491.724 4.383 20 0 JIADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606729 1069264614 /nfs/dbraw/zinc/26/46/14/1069264614.db2.gz RCBCDGLPSXZIIA-VSGBNLITSA-N 2 0 471.649 4.474 20 0 JIADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)cc1 ZINC001200691375 1069298720 /nfs/dbraw/zinc/29/87/20/1069298720.db2.gz DTLGBKQDZIHTKW-UHFFFAOYSA-N 2 0 456.837 4.279 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1 ZINC001164616550 719011150 /nfs/dbraw/zinc/01/11/50/719011150.db2.gz LBFVMAYTMHEBEK-AZSVPQILSA-N 2 0 454.659 4.168 20 0 JIADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164716243 720121926 /nfs/dbraw/zinc/12/19/26/720121926.db2.gz JLYYSXIXPMSWOO-QFIPXVFZSA-N 2 0 462.594 4.155 20 0 JIADRP CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837035 720651271 /nfs/dbraw/zinc/65/12/71/720651271.db2.gz AXJTVVFMRFZHSI-IEIRFRATSA-N 2 0 491.030 4.231 20 0 JIADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001359548593 1069855747 /nfs/dbraw/zinc/85/57/47/1069855747.db2.gz IDWVZEJWDMPJRE-UHFFFAOYSA-N 2 0 456.654 4.195 20 0 JIADRP CC(C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359696258 1070354407 /nfs/dbraw/zinc/35/44/07/1070354407.db2.gz HIIUEVCGNMQFJC-QFIPXVFZSA-N 2 0 474.719 4.095 20 0 JIADRP COc1cccc([C@H](Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)[NH+](C)C)c1 ZINC001315545883 1064551599 /nfs/dbraw/zinc/55/15/99/1064551599.db2.gz DTVVGDPDHYVLRR-DEOSSOPVSA-N 2 0 454.663 4.168 20 0 JIADRP COc1cccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)[NH+](C)C)c1 ZINC001315545884 1064551840 /nfs/dbraw/zinc/55/18/40/1064551840.db2.gz DTVVGDPDHYVLRR-XMMPIXPASA-N 2 0 454.663 4.168 20 0 JIADRP COc1cccc([C@@H](Cn2c(C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[NH+](C)C)c1 ZINC001315548192 1064559225 /nfs/dbraw/zinc/55/92/25/1064559225.db2.gz XMTAJZPSUDHNCH-HFZDXXHNSA-N 2 0 468.690 4.379 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315630337 1064780688 /nfs/dbraw/zinc/78/06/88/1064780688.db2.gz ZXKUDTBYFWCGNQ-DWACAAAGSA-N 2 0 482.717 4.309 20 0 JIADRP CSC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CC[NH+](C)CC1 ZINC001316406501 1066189393 /nfs/dbraw/zinc/18/93/93/1066189393.db2.gz FATBFMPZFXMUCE-UHFFFAOYSA-N 2 0 491.149 4.128 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCC[NH+]2CCCC[C@H]2C)n1 ZINC001492511760 1066347602 /nfs/dbraw/zinc/34/76/02/1066347602.db2.gz IQZTVKOZPKTTMV-HSZRJFAPSA-N 2 0 467.706 4.470 20 0 JIADRP CC[NH+](CC)C1CCN(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001337614949 1066499875 /nfs/dbraw/zinc/49/98/75/1066499875.db2.gz YSPABKLZGVFZIY-UHFFFAOYSA-N 2 0 463.670 4.025 20 0 JIADRP CCCN(C(=O)NCc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001338577083 1066565069 /nfs/dbraw/zinc/56/50/69/1066565069.db2.gz DTWAXZNHXOMGMB-AREMUKBSSA-N 2 0 463.670 4.025 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001492543147 1066663882 /nfs/dbraw/zinc/66/38/82/1066663882.db2.gz BPVLZJKBBLDNAU-ZEQRLZLVSA-N 2 0 468.690 4.206 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001492546779 1066852610 /nfs/dbraw/zinc/85/26/10/1066852610.db2.gz BHWDPMNQBQQNTH-UHFFFAOYSA-N 2 0 468.690 4.208 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001492547187 1066916060 /nfs/dbraw/zinc/91/60/60/1066916060.db2.gz QPVGBYAICSDCOW-HOFKKMOUSA-N 2 0 468.690 4.206 20 0 JIADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)cc2)CC1 ZINC001351008363 1067030701 /nfs/dbraw/zinc/03/07/01/1067030701.db2.gz PEKAAWSBKDDKME-XMMPIXPASA-N 2 0 454.684 4.482 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001300043658 1067483475 /nfs/dbraw/zinc/48/34/75/1067483475.db2.gz HUYGLCBSFSFOHU-NRFANRHFSA-N 2 0 454.663 4.185 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001300061554 1067565371 /nfs/dbraw/zinc/56/53/71/1067565371.db2.gz IZEQOURTDHQTBX-UHFFFAOYSA-N 2 0 484.689 4.147 20 0 JIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001356338071 1067728280 /nfs/dbraw/zinc/72/82/80/1067728280.db2.gz IMNDNIMXXUBCJM-OAQYLSRUSA-N 2 0 452.618 4.445 20 0 JIADRP COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001300126421 1067753664 /nfs/dbraw/zinc/75/36/64/1067753664.db2.gz NLKILJQYLBPCLD-PKTZIBPZSA-N 2 0 482.717 4.113 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001300288616 1068089798 /nfs/dbraw/zinc/08/97/98/1068089798.db2.gz BDBWUEXBORPBDS-HSZRJFAPSA-N 2 0 484.689 4.051 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001300292330 1068098282 /nfs/dbraw/zinc/09/82/82/1068098282.db2.gz RNFVNRHMNURHFE-UHFFFAOYSA-N 2 0 486.705 4.295 20 0 JIADRP COc1cccc([C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)c1 ZINC001300335597 1068307514 /nfs/dbraw/zinc/30/75/14/1068307514.db2.gz UQCQKGKBYUTUEX-HSZRJFAPSA-N 2 0 498.075 4.083 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001300388408 1068496904 /nfs/dbraw/zinc/49/69/04/1068496904.db2.gz GSWXFLLVBVKHCW-DEOSSOPVSA-N 2 0 468.690 4.385 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001300390385 1068505712 /nfs/dbraw/zinc/50/57/12/1068505712.db2.gz XMTHZZJMOIIFRH-QFIPXVFZSA-N 2 0 468.671 4.239 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001300506443 1068878604 /nfs/dbraw/zinc/87/86/04/1068878604.db2.gz ACGFMWMKNYJQIK-OAQYLSRUSA-N 2 0 468.690 4.385 20 0 JIADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518897 1069109016 /nfs/dbraw/zinc/10/90/16/1069109016.db2.gz SUSFGKFHSIOXMJ-KAYWLYCHSA-N 2 0 473.665 4.025 20 0 JIADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccc21 ZINC000849518743 1069110230 /nfs/dbraw/zinc/11/02/30/1069110230.db2.gz OXGDTLAQEPEDSY-DQEYMECFSA-N 2 0 464.658 4.169 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849523170 1069115883 /nfs/dbraw/zinc/11/58/83/1069115883.db2.gz UTBUUTJFCPWRKF-DQEYMECFSA-N 2 0 472.077 4.012 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849523173 1069115954 /nfs/dbraw/zinc/11/59/54/1069115954.db2.gz UTBUUTJFCPWRKF-RPBOFIJWSA-N 2 0 472.077 4.012 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849575303 1069226436 /nfs/dbraw/zinc/22/64/36/1069226436.db2.gz ZYRLKZWRARHFKI-HWBMXIPRSA-N 2 0 487.639 4.244 20 0 JIADRP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592013 1069244827 /nfs/dbraw/zinc/24/48/27/1069244827.db2.gz MFYKIAIHGALLCX-TZRRMPRUSA-N 2 0 460.066 4.087 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001300651965 1069337763 /nfs/dbraw/zinc/33/77/63/1069337763.db2.gz HRUGLYAVFKCNIT-QHCPKHFHSA-N 2 0 498.716 4.441 20 0 JIADRP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4cccnc4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315545072 1064548594 /nfs/dbraw/zinc/54/85/94/1064548594.db2.gz KKJQPUNLNURUPE-DHLKQENFSA-N 2 0 491.684 4.208 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001315563735 1064592159 /nfs/dbraw/zinc/59/21/59/1064592159.db2.gz POPSCKNBNZTTCQ-HSZRJFAPSA-N 2 0 468.671 4.096 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001315563736 1064592307 /nfs/dbraw/zinc/59/23/07/1064592307.db2.gz POPSCKNBNZTTCQ-QHCPKHFHSA-N 2 0 468.671 4.096 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001315601378 1064709659 /nfs/dbraw/zinc/70/96/59/1064709659.db2.gz WLNRXUJOLHCMJM-QFIPXVFZSA-N 2 0 454.663 4.137 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315606436 1064722328 /nfs/dbraw/zinc/72/23/28/1064722328.db2.gz FHSWWNFYBXTLLK-QHCPKHFHSA-N 2 0 468.690 4.100 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001315606884 1064724060 /nfs/dbraw/zinc/72/40/60/1064724060.db2.gz NANGWGZKDZQCQS-NRFANRHFSA-N 2 0 468.671 4.239 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001315625819 1064768494 /nfs/dbraw/zinc/76/84/94/1064768494.db2.gz XLKMUOANMUJBMF-QHCPKHFHSA-N 2 0 470.706 4.164 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315630336 1064780373 /nfs/dbraw/zinc/78/03/73/1064780373.db2.gz ZXKUDTBYFWCGNQ-DFHRPNOPSA-N 2 0 482.717 4.309 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001315656727 1064847905 /nfs/dbraw/zinc/84/79/05/1064847905.db2.gz HTNBSTILRJDMRF-XMMPIXPASA-N 2 0 498.716 4.297 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001316129773 1065801623 /nfs/dbraw/zinc/80/16/23/1065801623.db2.gz RQTPPZABSIBMFE-GIFXNVAJSA-N 2 0 482.717 4.169 20 0 JIADRP Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1 ZINC001337480245 1066485167 /nfs/dbraw/zinc/48/51/67/1066485167.db2.gz DLRIQHQPIDSKEP-DNQXCXABSA-N 2 0 464.654 4.022 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001492534645 1066581765 /nfs/dbraw/zinc/58/17/65/1066581765.db2.gz JGIKHEYSEYGMMR-BJKOFHAPSA-N 2 0 452.691 4.228 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCCCC3)CC2)c1 ZINC001492534809 1066582495 /nfs/dbraw/zinc/58/24/95/1066582495.db2.gz OQLGAJNYYRKWHO-UHFFFAOYSA-N 2 0 452.691 4.373 20 0 JIADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC001318119322 1066909475 /nfs/dbraw/zinc/90/94/75/1066909475.db2.gz FPFJYZQNGDFHJR-UHFFFAOYSA-N 2 0 485.563 4.485 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001492547135 1066915134 /nfs/dbraw/zinc/91/51/34/1066915134.db2.gz PAZNPPBKVMSFSH-DEOSSOPVSA-N 2 0 468.690 4.351 20 0 JIADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318288100 1067004033 /nfs/dbraw/zinc/00/40/33/1067004033.db2.gz QXLYFYQEINXOIO-UHFFFAOYSA-N 2 0 492.495 4.409 20 0 JIADRP COc1cc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)ccc1OCc1cccs1 ZINC001318347616 1067027262 /nfs/dbraw/zinc/02/72/62/1067027262.db2.gz ABCQRUGSBJKQEN-UHFFFAOYSA-N 2 0 451.636 4.373 20 0 JIADRP Cc1cccc(-c2nnc(N(C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492497538 1067338954 /nfs/dbraw/zinc/33/89/54/1067338954.db2.gz ZZSCCUXPXSQOGT-NOZRDPDXSA-N 2 0 475.685 4.478 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001300053604 1067527767 /nfs/dbraw/zinc/52/77/67/1067527767.db2.gz KJUCVABDQSNADU-HSZRJFAPSA-N 2 0 482.717 4.490 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001300061439 1067564609 /nfs/dbraw/zinc/56/46/09/1067564609.db2.gz HROYIFIOGGJEAV-QFIPXVFZSA-N 2 0 484.689 4.003 20 0 JIADRP C[C@H]1C[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001356500727 1067765160 /nfs/dbraw/zinc/76/51/60/1067765160.db2.gz FKQJOJCZOLDALY-UPVQGACJSA-N 2 0 459.638 4.142 20 0 JIADRP [NH2+]=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000849058085 1067788948 /nfs/dbraw/zinc/78/89/48/1067788948.db2.gz IWYVHUMMNZMWFE-UHFFFAOYSA-N 2 0 477.531 4.015 20 0 JIADRP [NH2+]=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849067012 1067794389 /nfs/dbraw/zinc/79/43/89/1067794389.db2.gz XNCWZVXQUDHDRX-FQEVSTJZSA-N 2 0 470.459 4.054 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001300507785 1068882387 /nfs/dbraw/zinc/88/23/87/1068882387.db2.gz SXKFGRPRBBOXEV-FQEVSTJZSA-N 2 0 468.671 4.239 20 0 JIADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000849507858 1069089903 /nfs/dbraw/zinc/08/99/03/1069089903.db2.gz FXIIYNAPGPEWRM-TZRRMPRUSA-N 2 0 493.618 4.452 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606012 1069262203 /nfs/dbraw/zinc/26/22/03/1069262203.db2.gz LGILVDSJRPZLFP-DNQXCXABSA-N 2 0 455.672 4.061 20 0 JIADRP COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)[NH+](C)C)c1 ZINC001315547220 1064556247 /nfs/dbraw/zinc/55/62/47/1064556247.db2.gz OKRVSKJBDLCFCN-RUZDIDTESA-N 2 0 468.690 4.243 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315563176 1064590835 /nfs/dbraw/zinc/59/08/35/1064590835.db2.gz LWUQEJJKAALZEX-SZPZYZBQSA-N 2 0 468.690 4.241 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001315604069 1064716154 /nfs/dbraw/zinc/71/61/54/1064716154.db2.gz FWYTVPAWPPCAOX-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315606435 1064722118 /nfs/dbraw/zinc/72/21/18/1064722118.db2.gz FHSWWNFYBXTLLK-HSZRJFAPSA-N 2 0 468.690 4.100 20 0 JIADRP COCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001316069058 1065708228 /nfs/dbraw/zinc/70/82/28/1065708228.db2.gz AZVUCPMSXIYJNL-QFIPXVFZSA-N 2 0 489.108 4.125 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001316133767 1065802336 /nfs/dbraw/zinc/80/23/36/1065802336.db2.gz PVZYPHPGLAJSQF-ILBGXUMGSA-N 2 0 482.717 4.169 20 0 JIADRP CSC1(Cn2c(C(C)C)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC001316397314 1066174963 /nfs/dbraw/zinc/17/49/63/1066174963.db2.gz DABFGVGVCMZLKW-QFIPXVFZSA-N 2 0 470.731 4.330 20 0 JIADRP C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)C[C@H](C)O1 ZINC001316503735 1066471630 /nfs/dbraw/zinc/47/16/30/1066471630.db2.gz DMZWZOUCOYKLKQ-ZRCGQRJVSA-N 2 0 488.746 4.266 20 0 JIADRP COc1ccc([C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)[NH+]2CCCC2)cc1 ZINC001317866234 1066741307 /nfs/dbraw/zinc/74/13/07/1066741307.db2.gz QUQXVOAHTFAZGD-AREMUKBSSA-N 2 0 450.627 4.058 20 0 JIADRP CC[NH+](CC)C1CCN(C(=O)CC2(CC(=O)N3CCC([NH+](CC)CC)CC3)CCCCC2)CC1 ZINC001318402140 1067037814 /nfs/dbraw/zinc/03/78/14/1067037814.db2.gz ALUUYWRUZIOELS-UHFFFAOYSA-N 2 0 476.750 4.383 20 0 JIADRP COc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC[NH+](C(C)C)C(C)C)cc1OC ZINC001300043661 1067484401 /nfs/dbraw/zinc/48/44/01/1067484401.db2.gz HVJUKNKWPXLWOO-QHCPKHFHSA-N 2 0 484.689 4.146 20 0 JIADRP [NH2+]=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000849071170 1067796675 /nfs/dbraw/zinc/79/66/75/1067796675.db2.gz PNHBABKDURKYHI-UHFFFAOYSA-N 2 0 491.558 4.405 20 0 JIADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4c(F)cccc4F)s3)c2)C1 ZINC001200346498 1068166178 /nfs/dbraw/zinc/16/61/78/1068166178.db2.gz NVLYDQTZIUNLRH-GOSISDBHSA-N 2 0 456.562 4.075 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300375796 1068445307 /nfs/dbraw/zinc/44/53/07/1068445307.db2.gz OOZMAEYGSIJQAX-NRFANRHFSA-N 2 0 468.690 4.431 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501147 1069073024 /nfs/dbraw/zinc/07/30/24/1069073024.db2.gz KZEOZYLXIMNLFK-JRAXSAEOSA-N 2 0 465.686 4.028 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849545676 1069182837 /nfs/dbraw/zinc/18/28/37/1069182837.db2.gz WFOCZPZIMACBDD-GPUOULLFSA-N 2 0 451.659 4.014 20 0 JIADRP C[C@@H]([NH2+]C1(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)CCOCC1)c1ccccc1 ZINC001200661593 1069206587 /nfs/dbraw/zinc/20/65/87/1069206587.db2.gz OOZAWFZQHSXCIC-OAQYLSRUSA-N 2 0 457.062 4.081 20 0 JIADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600414 1069256098 /nfs/dbraw/zinc/25/60/98/1069256098.db2.gz HGMSTTOWNVSSQN-KCHLEUMXSA-N 2 0 477.697 4.139 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607890 1069265644 /nfs/dbraw/zinc/26/56/44/1069265644.db2.gz ZPJYLLSMMADBNB-DQEYMECFSA-N 2 0 469.699 4.451 20 0 JIADRP [NH3+]C1([C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]2CF)CC1 ZINC001164620741 719121779 /nfs/dbraw/zinc/12/17/79/719121779.db2.gz JSXWRKNLQUVGLR-SIKLNZKXSA-N 2 0 471.020 4.270 20 0 JIADRP CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164630606 719140592 /nfs/dbraw/zinc/14/05/92/719140592.db2.gz JUBSNSKJQNGQRD-AREMUKBSSA-N 2 0 492.664 4.033 20 0 JIADRP COc1ccc2c(cc[nH+]c2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164679959 719662120 /nfs/dbraw/zinc/66/21/20/719662120.db2.gz BITMQTLVGUIXRU-JOCHJYFZSA-N 2 0 472.633 4.337 20 0 JIADRP CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164733106 720548831 /nfs/dbraw/zinc/54/88/31/720548831.db2.gz JPJFTNSVKJMHDH-GOSISDBHSA-N 2 0 454.993 4.173 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963951 722025852 /nfs/dbraw/zinc/02/58/52/722025852.db2.gz UTWIAVLGEBKFDF-ZEVJAHDQSA-N 2 0 450.631 4.166 20 0 JIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(c4nc5ccc(-c6cccnc6)cn5n4)CC3)c2)CC1 ZINC001164956990 722050068 /nfs/dbraw/zinc/05/00/68/722050068.db2.gz GMYSKSCJVFHNGH-UHFFFAOYSA-N 2 0 469.593 4.043 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001300651695 1069336468 /nfs/dbraw/zinc/33/64/68/1069336468.db2.gz BVDZNVKNAHGCRI-NEKDWFFYSA-N 2 0 498.716 4.297 20 0 JIADRP CC(C)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001359677292 1070331786 /nfs/dbraw/zinc/33/17/86/1070331786.db2.gz ZMYUTQDEDRPHBG-HXUWFJFHSA-N 2 0 483.611 4.484 20 0 JIADRP CC(C)c1nnc(N(C)Cc2cccc(Cl)c2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001359681056 1070337789 /nfs/dbraw/zinc/33/77/89/1070337789.db2.gz NOVDKJFSENAHLR-UHFFFAOYSA-N 2 0 468.049 4.299 20 0 JIADRP CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001359686132 1070342641 /nfs/dbraw/zinc/34/26/41/1070342641.db2.gz SSCJTRAQYANIIH-LLZJGCNPSA-N 2 0 492.716 4.175 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001315658546 1064852570 /nfs/dbraw/zinc/85/25/70/1064852570.db2.gz PKSFUXUZBJPFOQ-DEOSSOPVSA-N 2 0 498.716 4.154 20 0 JIADRP COCC[N@H+](C)CCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001316066066 1065704372 /nfs/dbraw/zinc/70/43/72/1065704372.db2.gz UDOFUALFAZJJEE-UHFFFAOYSA-N 2 0 482.717 4.276 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001316129776 1065801887 /nfs/dbraw/zinc/80/18/87/1065801887.db2.gz RQTPPZABSIBMFE-OYRHQHFDSA-N 2 0 482.717 4.169 20 0 JIADRP COc1ccc(-c2cc(NC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2OC)cc1 ZINC001338089349 1066529621 /nfs/dbraw/zinc/52/96/21/1066529621.db2.gz NPLDPAHWACQFKZ-UHFFFAOYSA-N 2 0 475.593 4.100 20 0 JIADRP COc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)[NH+]2CCCC2)cc1 ZINC001317866237 1066741146 /nfs/dbraw/zinc/74/11/46/1066741146.db2.gz QUQXVOAHTFAZGD-SANMLTNESA-N 2 0 450.627 4.058 20 0 JIADRP Cc1cc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)ccc1N1CC[NH+](C)CC1 ZINC001318404441 1067038320 /nfs/dbraw/zinc/03/83/20/1067038320.db2.gz QNNTWVNCFHGKQY-JOCHJYFZSA-N 2 0 450.627 4.252 20 0 JIADRP O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001322188260 1067260898 /nfs/dbraw/zinc/26/08/98/1067260898.db2.gz XGFCSEXQDWTRAG-UHFFFAOYSA-N 2 0 490.460 4.383 20 0 JIADRP COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300026547 1067398599 /nfs/dbraw/zinc/39/85/99/1067398599.db2.gz BRWSJNGMZPUVKB-GGAORHGYSA-N 2 0 454.663 4.136 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC001300044094 1067486612 /nfs/dbraw/zinc/48/66/12/1067486612.db2.gz MREJRDGMYOZWNQ-RUZDIDTESA-N 2 0 498.716 4.440 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001492582215 1067522738 /nfs/dbraw/zinc/52/27/38/1067522738.db2.gz AFHOWXVKYNKVSS-QHCPKHFHSA-N 2 0 452.691 4.265 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)cc1OC ZINC001300068227 1067585738 /nfs/dbraw/zinc/58/57/38/1067585738.db2.gz HCSYGVBXQSSTBL-UHFFFAOYSA-N 2 0 484.689 4.147 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300075139 1067599421 /nfs/dbraw/zinc/59/94/21/1067599421.db2.gz BUCDVWWRBUUWLK-JOCHJYFZSA-N 2 0 498.716 4.252 20 0 JIADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1OCC(F)(F)F ZINC001200135808 1067726590 /nfs/dbraw/zinc/72/65/90/1067726590.db2.gz RGFISHOLIFBJSV-UHFFFAOYSA-N 2 0 452.517 4.273 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492585388 1067827800 /nfs/dbraw/zinc/82/78/00/1067827800.db2.gz FPXBKUVNCFTBDB-DEOSSOPVSA-N 2 0 466.699 4.462 20 0 JIADRP COc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001300294811 1068111964 /nfs/dbraw/zinc/11/19/64/1068111964.db2.gz VGOGKJSTAORYAT-FIPFOOKPSA-N 2 0 498.716 4.154 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCC[NH+](C(C)C)C(C)C ZINC001300510123 1068886330 /nfs/dbraw/zinc/88/63/30/1068886330.db2.gz HDPQIXJCFXZEFG-HSZRJFAPSA-N 2 0 498.716 4.152 20 0 JIADRP CCC(CC)(CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1)[NH2+][C@H](C)c1ccccc1 ZINC000849545904 1069181693 /nfs/dbraw/zinc/18/16/93/1069181693.db2.gz YIIFIQVIAVMYTA-NQHRYMMQSA-N 2 0 453.675 4.260 20 0 JIADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000849606724 1069264431 /nfs/dbraw/zinc/26/44/31/1069264431.db2.gz RCBCDGLPSXZIIA-IZLXSDGUSA-N 2 0 471.649 4.474 20 0 JIADRP FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164413241 718882131 /nfs/dbraw/zinc/88/21/31/718882131.db2.gz FCDFNIQSOWSGEY-MRXNPFEDSA-N 2 0 450.883 4.310 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)nc1 ZINC001164843953 720743185 /nfs/dbraw/zinc/74/31/85/720743185.db2.gz MWBJTBXFGISPGE-XMMPIXPASA-N 2 0 461.658 4.355 20 0 JIADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164804652 721561598 /nfs/dbraw/zinc/56/15/98/721561598.db2.gz LENCKRHPJIFHHB-OYUWMTPXSA-N 2 0 453.590 4.348 20 0 JIADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164804654 721562037 /nfs/dbraw/zinc/56/20/37/721562037.db2.gz LENCKRHPJIFHHB-VJGNERBWSA-N 2 0 453.590 4.348 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963941 722025802 /nfs/dbraw/zinc/02/58/02/722025802.db2.gz UTWIAVLGEBKFDF-PLXFJCCSSA-N 2 0 450.631 4.166 20 0 JIADRP CC(C)(C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001359545845 1069849289 /nfs/dbraw/zinc/84/92/89/1069849289.db2.gz HTIUROPVJQRQBP-UHFFFAOYSA-N 2 0 495.760 4.390 20 0 JIADRP CC(C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359685552 1070341797 /nfs/dbraw/zinc/34/17/97/1070341797.db2.gz WUEWDQGKWYPTDS-XMMPIXPASA-N 2 0 481.714 4.024 20 0 JIADRP CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001359686131 1070342780 /nfs/dbraw/zinc/34/27/80/1070342780.db2.gz SSCJTRAQYANIIH-KTIWRFAQSA-N 2 0 492.716 4.175 20 0 JIADRP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC001315544584 1064547267 /nfs/dbraw/zinc/54/72/67/1064547267.db2.gz DVPRZYDKMCHLIJ-FKBYEOEOSA-N 2 0 468.690 4.235 20 0 JIADRP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001315545311 1064550409 /nfs/dbraw/zinc/55/04/09/1064550409.db2.gz NDYGUDVMQODBNE-QFIPXVFZSA-N 2 0 479.673 4.284 20 0 JIADRP COc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[N@@H+](C3CCCC3)CC2)[NH+](C)C)c1 ZINC001315547221 1064556056 /nfs/dbraw/zinc/55/60/56/1064556056.db2.gz OKRVSKJBDLCFCN-VWLOTQADSA-N 2 0 468.690 4.243 20 0 JIADRP COc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001315558806 1064582608 /nfs/dbraw/zinc/58/26/08/1064582608.db2.gz IWTRETKYOJGHEE-NRFANRHFSA-N 2 0 454.663 4.041 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001315625818 1064768057 /nfs/dbraw/zinc/76/80/57/1064768057.db2.gz XLKMUOANMUJBMF-HSZRJFAPSA-N 2 0 470.706 4.164 20 0 JIADRP COCC[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316066134 1065704581 /nfs/dbraw/zinc/70/45/81/1065704581.db2.gz VOKODZODDMXXBH-UHFFFAOYSA-N 2 0 475.081 4.022 20 0 JIADRP COCC[N@H+](C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001316069934 1065709366 /nfs/dbraw/zinc/70/93/66/1065709366.db2.gz MNLORMUVIYSYJB-UHFFFAOYSA-N 2 0 488.746 4.164 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC001316134686 1065803001 /nfs/dbraw/zinc/80/30/01/1065803001.db2.gz XXHYTSJDPIFLQD-QHCPKHFHSA-N 2 0 482.717 4.058 20 0 JIADRP CC[NH+](CC)CCOc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)ccc1OC ZINC001318091689 1066895121 /nfs/dbraw/zinc/89/51/21/1066895121.db2.gz FVACJWMSDLENBD-UHFFFAOYSA-N 2 0 468.642 4.464 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001492547145 1066915094 /nfs/dbraw/zinc/91/50/94/1066915094.db2.gz PKLIZOXBVPCWJU-QHCPKHFHSA-N 2 0 482.698 4.308 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001300787552 1067351559 /nfs/dbraw/zinc/35/15/59/1067351559.db2.gz VBEYJHIRTOUHQH-HSZRJFAPSA-N 2 0 482.717 4.176 20 0 JIADRP COc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300026549 1067398536 /nfs/dbraw/zinc/39/85/36/1067398536.db2.gz BRWSJNGMZPUVKB-JTHBVZDNSA-N 2 0 454.663 4.136 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300067775 1067584001 /nfs/dbraw/zinc/58/40/01/1067584001.db2.gz VDDPNHJXOFTKIH-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC001300068462 1067586551 /nfs/dbraw/zinc/58/65/51/1067586551.db2.gz NHRLJMGSAJNIAR-VXKWHMMOSA-N 2 0 498.716 4.249 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001300075141 1067599517 /nfs/dbraw/zinc/59/95/17/1067599517.db2.gz BUCDVWWRBUUWLK-QFIPXVFZSA-N 2 0 498.716 4.252 20 0 JIADRP C[N@H+](CCOc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1)C1CCOCC1 ZINC000849073438 1067796966 /nfs/dbraw/zinc/79/69/66/1067796966.db2.gz URHONQIGHUNPGP-UHFFFAOYSA-N 2 0 466.504 4.211 20 0 JIADRP CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001473597032 1068262348 /nfs/dbraw/zinc/26/23/48/1068262348.db2.gz MFQMTKIYSXXGAV-BVAGGSTKSA-N 2 0 457.659 4.125 20 0 JIADRP COc1cccc([C@H](Cn2c(C(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)c1 ZINC001300335727 1068309439 /nfs/dbraw/zinc/30/94/39/1068309439.db2.gz VOESMZGWGSWARZ-QHCPKHFHSA-N 2 0 454.663 4.168 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001300387756 1068492753 /nfs/dbraw/zinc/49/27/53/1068492753.db2.gz AWSAKXOHHBXDMQ-JOCHJYFZSA-N 2 0 468.671 4.096 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001300566642 1069057997 /nfs/dbraw/zinc/05/79/97/1069057997.db2.gz DNIXGMCWDJNWNQ-XMMPIXPASA-N 2 0 482.717 4.166 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849492112 1069059564 /nfs/dbraw/zinc/05/95/64/1069059564.db2.gz BYHHSUUWHRANPV-VSGBNLITSA-N 2 0 473.665 4.279 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503025 1069075768 /nfs/dbraw/zinc/07/57/68/1069075768.db2.gz UYYOHHCEROVECZ-HXABMTEBSA-N 2 0 465.686 4.028 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849510099 1069091749 /nfs/dbraw/zinc/09/17/49/1069091749.db2.gz GZABYPRXTGUQGY-RTWAWAEBSA-N 2 0 480.484 4.133 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525961 1069123306 /nfs/dbraw/zinc/12/33/06/1069123306.db2.gz PUTBDMOEADPDGM-VSGBNLITSA-N 2 0 479.713 4.085 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849545675 1069182990 /nfs/dbraw/zinc/18/29/90/1069182990.db2.gz WFOCZPZIMACBDD-FTBPSBKWSA-N 2 0 451.659 4.014 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849574484 1069224995 /nfs/dbraw/zinc/22/49/95/1069224995.db2.gz YJZUIMFLGFOCCX-FTJBHMTQSA-N 2 0 451.659 4.147 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575301 1069226338 /nfs/dbraw/zinc/22/63/38/1069226338.db2.gz ZYRLKZWRARHFKI-FBLLAGFSSA-N 2 0 487.639 4.244 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849598855 1069256378 /nfs/dbraw/zinc/25/63/78/1069256378.db2.gz HSDKKWMRJAKRDV-UPRLRBBYSA-N 2 0 491.724 4.383 20 0 JIADRP [NH3+]C1([C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]2CF)CC1 ZINC001164620743 719121144 /nfs/dbraw/zinc/12/11/44/719121144.db2.gz JSXWRKNLQUVGLR-UGKGYDQZSA-N 2 0 471.020 4.270 20 0 JIADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835777 720525862 /nfs/dbraw/zinc/52/58/62/720525862.db2.gz LGZUMXHOTGQIIO-PBWSGDRGSA-N 2 0 470.665 4.214 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2ccc(C)nn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC001164963927 722025717 /nfs/dbraw/zinc/02/57/17/722025717.db2.gz UTWIAVLGEBKFDF-JQYIIUTOSA-N 2 0 450.631 4.166 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001300651696 1069336577 /nfs/dbraw/zinc/33/65/77/1069336577.db2.gz BVDZNVKNAHGCRI-QDPGVEIFSA-N 2 0 498.716 4.297 20 0 JIADRP CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001359548238 1069854627 /nfs/dbraw/zinc/85/46/27/1069854627.db2.gz SQYDSNBUFBLWHF-QHCPKHFHSA-N 2 0 460.711 4.487 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001315531134 1064516254 /nfs/dbraw/zinc/51/62/54/1064516254.db2.gz SDJKXJPSXJUWOP-JOCHJYFZSA-N 2 0 486.705 4.153 20 0 JIADRP COc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001315532391 1064519456 /nfs/dbraw/zinc/51/94/56/1064519456.db2.gz BIHURUGFZKTKAO-UHFFFAOYSA-N 2 0 484.689 4.051 20 0 JIADRP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(-c4cccnc4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315545074 1064548913 /nfs/dbraw/zinc/54/89/13/1064548913.db2.gz KKJQPUNLNURUPE-RDGATRHJSA-N 2 0 491.684 4.208 20 0 JIADRP COc1cccc([C@@H](Cn2c(N3CC[NH+](C(C)(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315548457 1064560589 /nfs/dbraw/zinc/56/05/89/1064560589.db2.gz JBMNECGAKTXYLN-HSZRJFAPSA-N 2 0 468.690 4.342 20 0 JIADRP COc1cccc([C@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)c1 ZINC001315549480 1064564640 /nfs/dbraw/zinc/56/46/40/1064564640.db2.gz QPQRLWOYULJKAI-DEOSSOPVSA-N 2 0 468.690 4.199 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001315630339 1064780785 /nfs/dbraw/zinc/78/07/85/1064780785.db2.gz ZXKUDTBYFWCGNQ-SKCUWOTOSA-N 2 0 482.717 4.309 20 0 JIADRP COc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001315658547 1064852475 /nfs/dbraw/zinc/85/24/75/1064852475.db2.gz PKSFUXUZBJPFOQ-XMMPIXPASA-N 2 0 498.716 4.154 20 0 JIADRP COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001316068672 1065707566 /nfs/dbraw/zinc/70/75/66/1065707566.db2.gz LBWUEXYVANKDMD-UHFFFAOYSA-N 2 0 495.499 4.285 20 0 JIADRP COCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001316069057 1065707827 /nfs/dbraw/zinc/70/78/27/1065707827.db2.gz AZVUCPMSXIYJNL-JOCHJYFZSA-N 2 0 489.108 4.125 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001316133769 1065802430 /nfs/dbraw/zinc/80/24/30/1065802430.db2.gz PVZYPHPGLAJSQF-NOZRDPDXSA-N 2 0 482.717 4.169 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001492515964 1066363273 /nfs/dbraw/zinc/36/32/73/1066363273.db2.gz JNRMWFGCBNEEOO-QFQXNSOFSA-N 2 0 453.679 4.080 20 0 JIADRP Cc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492517509 1066372880 /nfs/dbraw/zinc/37/28/80/1066372880.db2.gz VLFGCWCHPNLLHJ-OYRHEFFESA-N 2 0 467.706 4.326 20 0 JIADRP Cc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001492517508 1066373078 /nfs/dbraw/zinc/37/30/78/1066373078.db2.gz VLFGCWCHPNLLHJ-NHCUHLMSSA-N 2 0 467.706 4.326 20 0 JIADRP CCc1cccc[n+]1C(C(=O)c1ccc(NC(C)=O)c(SC)c1)C(=S)NC1CC[NH+](C)CC1 ZINC001317975042 1066826176 /nfs/dbraw/zinc/82/61/76/1066826176.db2.gz LLMXTQWJUYGAFI-UHFFFAOYSA-O 2 0 485.699 4.112 20 0 JIADRP Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001200817125 1067280066 /nfs/dbraw/zinc/28/00/66/1067280066.db2.gz AGJUDBOHJSPQKY-UHFFFAOYSA-N 2 0 484.541 4.175 20 0 JIADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)C1 ZINC001322611708 1067306357 /nfs/dbraw/zinc/30/63/57/1067306357.db2.gz SRWQPPHAOVGIDK-GOSISDBHSA-N 2 0 463.981 4.327 20 0 JIADRP Cc1cccc(-c2nnc(N(C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001492497537 1067338582 /nfs/dbraw/zinc/33/85/82/1067338582.db2.gz ZZSCCUXPXSQOGT-ILBGXUMGSA-N 2 0 475.685 4.478 20 0 JIADRP Cc1cccc(-c2nnc(N(C)C3CC[NH+](Cc4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492497434 1067338805 /nfs/dbraw/zinc/33/88/05/1067338805.db2.gz WUCNQOVSOOWGGF-UHFFFAOYSA-N 2 0 475.685 4.337 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC001300785035 1067345491 /nfs/dbraw/zinc/34/54/91/1067345491.db2.gz IGBYLMYTHGCDNA-QFIPXVFZSA-N 2 0 474.738 4.068 20 0 JIADRP COc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001300070955 1067591726 /nfs/dbraw/zinc/59/17/26/1067591726.db2.gz OWLBIHWPYOZOQS-QHCPKHFHSA-N 2 0 498.716 4.152 20 0 JIADRP [NH2+]=C(NCc1cc(Br)ccc1OC(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849072478 1067796596 /nfs/dbraw/zinc/79/65/96/1067796596.db2.gz IGZQJSSCMLGCRP-UHFFFAOYSA-N 2 0 467.358 4.329 20 0 JIADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@]2(C)c2ccccc2)[C@@H](C)C1 ZINC001353377345 1068071090 /nfs/dbraw/zinc/07/10/90/1068071090.db2.gz WANQXMSPTOESRR-SAWAIYNCSA-N 2 0 477.693 4.330 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001300292358 1068098102 /nfs/dbraw/zinc/09/81/02/1068098102.db2.gz RUDSKISTUYCFFQ-UHFFFAOYSA-N 2 0 484.689 4.051 20 0 JIADRP COc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001300296628 1068122774 /nfs/dbraw/zinc/12/27/74/1068122774.db2.gz LCUOKMFULLGARK-UHFFFAOYSA-N 2 0 498.716 4.298 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001300387712 1068492914 /nfs/dbraw/zinc/49/29/14/1068492914.db2.gz CWAPTSLRDUACTR-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP COc1cccc(CN(C)c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001300420921 1068635654 /nfs/dbraw/zinc/63/56/54/1068635654.db2.gz NUKWEESLMXQOJV-UHFFFAOYSA-N 2 0 491.684 4.119 20 0 JIADRP COc1ccccc1Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001300555794 1069010695 /nfs/dbraw/zinc/01/06/95/1069010695.db2.gz HVDZFTZMVYSRLW-UHFFFAOYSA-N 2 0 482.717 4.451 20 0 JIADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001492587611 1069026031 /nfs/dbraw/zinc/02/60/31/1069026031.db2.gz WTNCYGMIWDQWAG-UHFFFAOYSA-N 2 0 466.718 4.467 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501144 1069072969 /nfs/dbraw/zinc/07/29/69/1069072969.db2.gz KZEOZYLXIMNLFK-IMIIGWPFSA-N 2 0 465.686 4.028 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849503028 1069076656 /nfs/dbraw/zinc/07/66/56/1069076656.db2.gz UYYOHHCEROVECZ-ZKBLBJRCSA-N 2 0 465.686 4.028 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505287 1069084493 /nfs/dbraw/zinc/08/44/93/1069084493.db2.gz GVWWNDCKRYKVII-RRPNLBNLSA-N 2 0 465.686 4.315 20 0 JIADRP CCCN(C(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849515852 1069102329 /nfs/dbraw/zinc/10/23/29/1069102329.db2.gz MXHSQJUKSZWOKO-VJGNERBWSA-N 2 0 465.686 4.137 20 0 JIADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)cn1 ZINC000849518899 1069108678 /nfs/dbraw/zinc/10/86/78/1069108678.db2.gz SUSFGKFHSIOXMJ-RRPNLBNLSA-N 2 0 473.665 4.025 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849607967 1069265564 /nfs/dbraw/zinc/26/55/64/1069265564.db2.gz MMIJODCPOVMAJP-LEWJYISDSA-N 2 0 466.655 4.077 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607897 1069265615 /nfs/dbraw/zinc/26/56/15/1069265615.db2.gz ZPJYLLSMMADBNB-RPBOFIJWSA-N 2 0 469.699 4.451 20 0 JIADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)nc1 ZINC001164843947 720743433 /nfs/dbraw/zinc/74/34/33/720743433.db2.gz MWBJTBXFGISPGE-DEOSSOPVSA-N 2 0 461.658 4.355 20 0 JIADRP Cc1ccccc1C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001492595627 1069847499 /nfs/dbraw/zinc/84/74/99/1069847499.db2.gz GGYWRHFWHMDIBC-UHFFFAOYSA-N 2 0 475.685 4.013 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001359547363 1069852654 /nfs/dbraw/zinc/85/26/54/1069852654.db2.gz MKKDFZOEUJRCHA-UHFFFAOYSA-N 2 0 470.681 4.442 20 0 JIADRP COc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[NH+](C)C)c1 ZINC001315544277 1064546229 /nfs/dbraw/zinc/54/62/29/1064546229.db2.gz CBUKSIUJRHCOCE-TVZXLZGTSA-N 2 0 498.716 4.039 20 0 JIADRP COc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCC[NH+]2CCCCC2)c1 ZINC001315556843 1064576194 /nfs/dbraw/zinc/57/61/94/1064576194.db2.gz DJIUYKJKGDKFLC-UHFFFAOYSA-N 2 0 468.690 4.386 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001315563173 1064590523 /nfs/dbraw/zinc/59/05/23/1064590523.db2.gz LWUQEJJKAALZEX-FGZHOGPDSA-N 2 0 468.690 4.241 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315600307 1064707179 /nfs/dbraw/zinc/70/71/79/1064707179.db2.gz OFINTLIAAGBEQZ-IDISGSTGSA-N 2 0 468.690 4.431 20 0 JIADRP COc1ccccc1-c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001315604346 1064716829 /nfs/dbraw/zinc/71/68/29/1064716829.db2.gz HXVNLFYWZZFWRB-UHFFFAOYSA-N 2 0 454.663 4.139 20 0 JIADRP COc1ccccc1-c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001315606469 1064723000 /nfs/dbraw/zinc/72/30/00/1064723000.db2.gz GDZMXNKSOZVDAY-UHFFFAOYSA-N 2 0 468.690 4.244 20 0 JIADRP COc1ccccc1Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001315630338 1064780472 /nfs/dbraw/zinc/78/04/72/1064780472.db2.gz ZXKUDTBYFWCGNQ-RBISFHTESA-N 2 0 482.717 4.309 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(N3CCC[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001315706221 1064977461 /nfs/dbraw/zinc/97/74/61/1064977461.db2.gz SPYLJXTUPRJDEY-UHFFFAOYSA-N 2 0 482.717 4.177 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001316125357 1065794369 /nfs/dbraw/zinc/79/43/69/1065794369.db2.gz NMQKOECDNJLFDO-OALUTQOASA-N 2 0 495.499 4.141 20 0 JIADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC001316134685 1065802884 /nfs/dbraw/zinc/80/28/84/1065802884.db2.gz XXHYTSJDPIFLQD-HSZRJFAPSA-N 2 0 482.717 4.058 20 0 JIADRP CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC001316408448 1066192761 /nfs/dbraw/zinc/19/27/61/1066192761.db2.gz RMYBIHZXKOEIPN-HSZRJFAPSA-N 2 0 484.758 4.405 20 0 JIADRP Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1N1CC[NH+](C)CC1 ZINC001321653874 1067191159 /nfs/dbraw/zinc/19/11/59/1067191159.db2.gz CFIWOJFBLNKBMT-QHCPKHFHSA-N 2 0 455.672 4.403 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001300783139 1067340350 /nfs/dbraw/zinc/34/03/50/1067340350.db2.gz UYSRTNSFEUYEDB-UHFFFAOYSA-N 2 0 475.081 4.018 20 0 JIADRP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)c(C(F)(F)F)c2)CC1 ZINC001355593850 1067520260 /nfs/dbraw/zinc/52/02/60/1067520260.db2.gz QZUFLXSXZOSCFZ-UHFFFAOYSA-N 2 0 450.505 4.288 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001300061182 1067562423 /nfs/dbraw/zinc/56/24/23/1067562423.db2.gz AZNAWLFPKKRJJG-UHFFFAOYSA-N 2 0 454.663 4.140 20 0 JIADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001300067238 1067582881 /nfs/dbraw/zinc/58/28/81/1067582881.db2.gz MGAXSJPRKRRRMO-OAQYLSRUSA-N 2 0 468.671 4.239 20 0 JIADRP COc1ccc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001300070739 1067591344 /nfs/dbraw/zinc/59/13/44/1067591344.db2.gz LEOSUMISMIPTNN-QPPBQGQZSA-N 2 0 498.716 4.249 20 0 JIADRP COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001300126423 1067753962 /nfs/dbraw/zinc/75/39/62/1067753962.db2.gz NLKILJQYLBPCLD-XZOQPEGZSA-N 2 0 482.717 4.113 20 0 JIADRP COc1ccccc1[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000849060566 1067790336 /nfs/dbraw/zinc/79/03/36/1067790336.db2.gz FCMQTPDCHCREQW-HSZRJFAPSA-N 2 0 481.641 4.040 20 0 JIADRP CC1(C)CN([C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000849073249 1067796935 /nfs/dbraw/zinc/79/69/35/1067796935.db2.gz ZEALICAEAHUSLW-VWLOTQADSA-N 2 0 484.088 4.270 20 0 JIADRP Cc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCC[NH+]1CCCO[C@H](C)C1 ZINC001492563900 1068046813 /nfs/dbraw/zinc/04/68/13/1068046813.db2.gz PXOQECYVOLMOCH-XMMPIXPASA-N 2 0 482.717 4.311 20 0 JIADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000849492994 1069061775 /nfs/dbraw/zinc/06/17/75/1069061775.db2.gz IGARZWUGSJJDDX-IZLXSDGUSA-N 2 0 471.649 4.035 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505286 1069084107 /nfs/dbraw/zinc/08/41/07/1069084107.db2.gz GVWWNDCKRYKVII-KAYWLYCHSA-N 2 0 465.686 4.315 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849510097 1069091832 /nfs/dbraw/zinc/09/18/32/1069091832.db2.gz GZABYPRXTGUQGY-LEWJYISDSA-N 2 0 480.484 4.133 20 0 JIADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000849613973 1069275574 /nfs/dbraw/zinc/27/55/74/1069275574.db2.gz WKJXZLPDFPKYRF-WSZJRCBQSA-N 2 0 453.675 4.116 20 0 JIADRP FC(F)(F)[C@@H]1N(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CCC12CC[NH2+]CC2 ZINC001164389437 718816198 /nfs/dbraw/zinc/81/61/98/718816198.db2.gz WGPAVULJFKLJDS-QGZVFWFLSA-N 2 0 450.883 4.167 20 0 JIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1 ZINC001164616562 719011175 /nfs/dbraw/zinc/01/11/75/719011175.db2.gz LBFVMAYTMHEBEK-QSEAXJEQSA-N 2 0 454.659 4.168 20 0 JIADRP COc1cc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1OC ZINC001164754575 720893455 /nfs/dbraw/zinc/89/34/55/720893455.db2.gz JLUWEBPWLYDZRB-PWUYWRBVSA-N 2 0 488.632 4.402 20 0 JIADRP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1OC ZINC001164754572 720893501 /nfs/dbraw/zinc/89/35/01/720893501.db2.gz JLUWEBPWLYDZRB-OUTSHDOLSA-N 2 0 488.632 4.402 20 0 JIADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](Cc2c(C)noc2C)C3)nc1 ZINC001164780342 721373328 /nfs/dbraw/zinc/37/33/28/721373328.db2.gz GCKBHBVIRRJXGD-BDYUSTAISA-N 2 0 467.658 4.352 20 0 JIADRP COc1cc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164904788 721708180 /nfs/dbraw/zinc/70/81/80/721708180.db2.gz DCQDWFXVDSYHRN-XMMPIXPASA-N 2 0 454.521 4.385 20 0 JIADRP COc1ccccc1SCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001300676214 1069423276 /nfs/dbraw/zinc/42/32/76/1069423276.db2.gz BYUPUAZMZIPALT-QFIPXVFZSA-N 2 0 486.730 4.231 20 0 JIADRP CC(C)(C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001359511842 1069791116 /nfs/dbraw/zinc/79/11/16/1069791116.db2.gz BXELKKQFSDTDHB-UHFFFAOYSA-N 2 0 481.733 4.099 20 0 JIADRP CC(C)(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001359537033 1069831413 /nfs/dbraw/zinc/83/14/13/1069831413.db2.gz HQTUNZFZBBOUQQ-UHFFFAOYSA-N 2 0 467.706 4.489 20 0 JIADRP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001359546399 1069850483 /nfs/dbraw/zinc/85/04/83/1069850483.db2.gz DGOZBUVJUDFOQK-UHFFFAOYSA-N 2 0 457.066 4.419 20 0 JIADRP COc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)c1 ZINC001315548032 1064558376 /nfs/dbraw/zinc/55/83/76/1064558376.db2.gz WWMPHZIFFMRECN-XMMPIXPASA-N 2 0 468.690 4.243 20 0 JIADRP COC1CC[NH+](C(C)(C)Cn2c(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001315706763 1064979469 /nfs/dbraw/zinc/97/94/69/1064979469.db2.gz XJADPSNGWCVBAE-HSZRJFAPSA-N 2 0 482.717 4.176 20 0 JIADRP CSC1(Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC001316408451 1066192789 /nfs/dbraw/zinc/19/27/89/1066192789.db2.gz RMYBIHZXKOEIPN-QHCPKHFHSA-N 2 0 484.758 4.405 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001492510910 1066342954 /nfs/dbraw/zinc/34/29/54/1066342954.db2.gz GRNNVTNPISIMPQ-VXKWHMMOSA-N 2 0 467.706 4.373 20 0 JIADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001492515694 1066361252 /nfs/dbraw/zinc/36/12/52/1066361252.db2.gz FCAJTPIJQDJWPK-UHFFFAOYSA-N 2 0 467.706 4.327 20 0 JIADRP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001492534649 1066581593 /nfs/dbraw/zinc/58/15/93/1066581593.db2.gz JGQIJTWMTSULJC-RUZDIDTESA-N 2 0 452.691 4.228 20 0 JIADRP Cc1cccc(OCc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001492545453 1066735641 /nfs/dbraw/zinc/73/56/41/1066735641.db2.gz BXSXLOOQKZXESL-QHCPKHFHSA-N 2 0 468.690 4.208 20 0 JIADRP Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001492547210 1066917422 /nfs/dbraw/zinc/91/74/22/1066917422.db2.gz RCAPLCHLMZIRBS-JOCHJYFZSA-N 2 0 468.671 4.060 20 0 JIADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300043544 1067483169 /nfs/dbraw/zinc/48/31/69/1067483169.db2.gz GSFMUENTPOCPRS-XMMPIXPASA-N 2 0 484.689 4.050 20 0 JIADRP COc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCC(C)CC2)cc1OC ZINC001300061428 1067564280 /nfs/dbraw/zinc/56/42/80/1067564280.db2.gz HIDJWMQTNLMQEL-UHFFFAOYSA-N 2 0 498.716 4.395 20 0 JIADRP Cc1ccccc1-c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001492559528 1067885112 /nfs/dbraw/zinc/88/51/12/1067885112.db2.gz DRAZQZOWXWIUGX-WIOPSUGQSA-N 2 0 492.716 4.094 20 0 JIADRP COc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001300291376 1068096679 /nfs/dbraw/zinc/09/66/79/1068096679.db2.gz MILADKMTOCTUDV-UHFFFAOYSA-N 2 0 484.689 4.051 20 0 JIADRP CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001473597039 1068262733 /nfs/dbraw/zinc/26/27/33/1068262733.db2.gz MFQMTKIYSXXGAV-OZXSUGGESA-N 2 0 457.659 4.125 20 0 JIADRP COc1cccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)[NH+](C)C)c1 ZINC001300340135 1068321764 /nfs/dbraw/zinc/32/17/64/1068321764.db2.gz LCOAQEGVWKYZRJ-ISKFKSNPSA-N 2 0 468.690 4.243 20 0 JIADRP COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001300390204 1068503875 /nfs/dbraw/zinc/50/38/75/1068503875.db2.gz UDWUWIOIZQNSJZ-QFIPXVFZSA-N 2 0 468.690 4.242 20 0 JIADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483161 1069051203 /nfs/dbraw/zinc/05/12/03/1069051203.db2.gz FXHVVGWMEZHJJO-ODGPQVTHSA-N 2 0 460.066 4.087 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849492110 1069059460 /nfs/dbraw/zinc/05/94/60/1069059460.db2.gz BYHHSUUWHRANPV-NSOVKSMOSA-N 2 0 473.665 4.279 20 0 JIADRP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505590 1069087249 /nfs/dbraw/zinc/08/72/49/1069087249.db2.gz IIQDYUISKRRMRR-DHIUTWEWSA-N 2 0 487.092 4.058 20 0 JIADRP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849510098 1069091869 /nfs/dbraw/zinc/09/18/69/1069091869.db2.gz GZABYPRXTGUQGY-NHCUHLMSSA-N 2 0 480.484 4.133 20 0 JIADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849545677 1069182629 /nfs/dbraw/zinc/18/26/29/1069182629.db2.gz WFOCZPZIMACBDD-GVXSCFBNSA-N 2 0 451.659 4.014 20 0 JIADRP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849592012 1069244301 /nfs/dbraw/zinc/24/43/01/1069244301.db2.gz MFYKIAIHGALLCX-RBZQAINGSA-N 2 0 460.066 4.087 20 0 JIADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849597900 1069253903 /nfs/dbraw/zinc/25/39/03/1069253903.db2.gz WQNCMWYWNRINMZ-SSBOKUKZSA-N 2 0 493.740 4.426 20 0 JIADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849600412 1069256438 /nfs/dbraw/zinc/25/64/38/1069256438.db2.gz HGMSTTOWNVSSQN-IARZGTGTSA-N 2 0 477.697 4.139 20 0 JIADRP CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849606013 1069262560 /nfs/dbraw/zinc/26/25/60/1069262560.db2.gz LGILVDSJRPZLFP-RPWUZVMVSA-N 2 0 455.672 4.061 20 0 JIADRP FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164413240 718881853 /nfs/dbraw/zinc/88/18/53/718881853.db2.gz FCDFNIQSOWSGEY-INIZCTEOSA-N 2 0 450.883 4.310 20 0 JIADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164716236 720121672 /nfs/dbraw/zinc/12/16/72/720121672.db2.gz JLYYSXIXPMSWOO-JOCHJYFZSA-N 2 0 462.594 4.155 20 0 JIADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164710549 720147009 /nfs/dbraw/zinc/14/70/09/720147009.db2.gz CFHMXOBRPSVPDA-QHCPKHFHSA-N 2 0 462.594 4.155 20 0 JIADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164804655 721561456 /nfs/dbraw/zinc/56/14/56/721561456.db2.gz LENCKRHPJIFHHB-ZONZVBGPSA-N 2 0 453.590 4.348 20 0 JIADRP