smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCC[N@H+]1CCC[C@H](O)C1)N1CCCN(Cc2cccs2)CC1 ZINC000426522914 231235678 /nfs/dbraw/zinc/23/56/78/231235678.db2.gz NOLOZMCWJGOFOV-KRWDZBQOSA-N 1 1 380.558 1.812 50 0 GDAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)N1CCCN(Cc2cccs2)CC1 ZINC000426522914 231235682 /nfs/dbraw/zinc/23/56/82/231235682.db2.gz NOLOZMCWJGOFOV-KRWDZBQOSA-N 1 1 380.558 1.812 50 0 GDAAMO Cc1c(C[N@H+]2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)cnn1C ZINC000426612225 231246983 /nfs/dbraw/zinc/24/69/83/231246983.db2.gz CQSDMGSEGHRUDP-MRXNPFEDSA-N 1 1 387.532 1.193 50 0 GDAAMO COc1ccc(S(=O)(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1Br ZINC000008074334 530547798 /nfs/dbraw/zinc/54/77/98/530547798.db2.gz KTEYSHUDXPRFKY-CYBMUJFWSA-N 1 1 375.288 1.830 50 0 GDAAMO NS(=O)(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000022198579 530572255 /nfs/dbraw/zinc/57/22/55/530572255.db2.gz QDFDCGWTIHYPKU-LLVKDONJSA-N 1 1 379.404 1.937 50 0 GDAAMO CC[NH+]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000045583507 530644623 /nfs/dbraw/zinc/64/46/23/530644623.db2.gz KRISFEWXWOYOLY-UHFFFAOYSA-N 1 1 386.265 1.872 50 0 GDAAMO COc1cc(Br)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1OC ZINC000054371739 530700918 /nfs/dbraw/zinc/70/09/18/530700918.db2.gz HUCMYMXSJAPUEF-SECBINFHSA-N 1 1 379.276 1.449 50 0 GDAAMO Nc1nnc(SCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)s1 ZINC000095369602 530816711 /nfs/dbraw/zinc/81/67/11/530816711.db2.gz UHOJASKJTOPHSH-WCQYABFASA-N 1 1 383.543 1.314 50 0 GDAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 ZINC000096295560 530818138 /nfs/dbraw/zinc/81/81/38/530818138.db2.gz XPUAMUNNJROASA-CYBMUJFWSA-N 1 1 380.242 1.278 50 0 GDAAMO COc1ccccc1N1CCN(C(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000004413276 204044847 /nfs/dbraw/zinc/04/48/47/204044847.db2.gz ALLVMDCMILIRMF-ULQDDVLXSA-N 1 1 386.496 1.133 50 0 GDAAMO C[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000004917562 204091138 /nfs/dbraw/zinc/09/11/38/204091138.db2.gz SFHGFLNDVXXNKE-UHFFFAOYSA-N 1 1 388.493 1.057 50 0 GDAAMO CC(C)CCn1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930515 204092852 /nfs/dbraw/zinc/09/28/52/204092852.db2.gz DOZSEKGCZPHUNO-HUUCEWRRSA-N 1 1 375.517 1.958 50 0 GDAAMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000009063797 204297961 /nfs/dbraw/zinc/29/79/61/204297961.db2.gz LYCYRCQJFJJJAV-UHFFFAOYSA-N 1 1 395.525 1.648 50 0 GDAAMO Cc1ccc(C)c(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000009874958 204325576 /nfs/dbraw/zinc/32/55/76/204325576.db2.gz NXRXFERJQZDNCQ-UHFFFAOYSA-N 1 1 379.526 1.798 50 0 GDAAMO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000009861557 204326028 /nfs/dbraw/zinc/32/60/28/204326028.db2.gz MMFMMRFOORVIDF-QGZVFWFLSA-N 1 1 387.480 1.709 50 0 GDAAMO NC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000009861557 204326031 /nfs/dbraw/zinc/32/60/31/204326031.db2.gz MMFMMRFOORVIDF-QGZVFWFLSA-N 1 1 387.480 1.709 50 0 GDAAMO Cc1nn(C)cc1CNCc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000011946240 204363678 /nfs/dbraw/zinc/36/36/78/204363678.db2.gz OJAHBLUCERAHKC-IBGZPJMESA-N 1 1 390.553 1.807 50 0 GDAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)NCCCN1CCOCC1)C[C@@H](C)O2 ZINC000012051372 204368689 /nfs/dbraw/zinc/36/86/89/204368689.db2.gz XCUUUMPARLSXAH-GOSISDBHSA-N 1 1 375.513 1.807 50 0 GDAAMO CC(C)(C)C[N@@H+]1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000012036606 204369321 /nfs/dbraw/zinc/36/93/21/204369321.db2.gz GSYDZVXMILVRAM-UHFFFAOYSA-N 1 1 385.512 1.920 50 0 GDAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)c1OC ZINC000012135643 204374031 /nfs/dbraw/zinc/37/40/31/204374031.db2.gz QMYCEPOHNVBLQV-AWEZNQCLSA-N 1 1 399.495 1.941 50 0 GDAAMO C[N@H+]1CCN(c2nc3nonc3nc2N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000012195901 204380490 /nfs/dbraw/zinc/38/04/90/204380490.db2.gz BBENFNLRZMMQLX-OAHLLOKOSA-N 1 1 381.440 1.343 50 0 GDAAMO Cc1nnc(SCCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CCC(C)C)s1 ZINC000012194220 204380986 /nfs/dbraw/zinc/38/09/86/204380986.db2.gz NESMGSDTIXKVKO-ZDUSSCGKSA-N 1 1 385.559 1.291 50 0 GDAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1cccs1)CC2)C(C)C ZINC000012206370 204382669 /nfs/dbraw/zinc/38/26/69/204382669.db2.gz QWDODPLXEFWDFF-KRWDZBQOSA-N 1 1 377.514 1.858 50 0 GDAAMO CCn1ccnc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000012317180 204395268 /nfs/dbraw/zinc/39/52/68/204395268.db2.gz NLRFGPHMSZNPCP-GOSISDBHSA-N 1 1 383.496 1.295 50 0 GDAAMO CCn1ccnc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000012317180 204395271 /nfs/dbraw/zinc/39/52/71/204395271.db2.gz NLRFGPHMSZNPCP-GOSISDBHSA-N 1 1 383.496 1.295 50 0 GDAAMO Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CC[NH+](C)CC1 ZINC000020512496 204723561 /nfs/dbraw/zinc/72/35/61/204723561.db2.gz KPQSJKJUMPQNIR-UHFFFAOYSA-N 1 1 383.514 1.082 50 0 GDAAMO CN1C(=O)CO[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241429 205029938 /nfs/dbraw/zinc/02/99/38/205029938.db2.gz PUQVCMROYXLCAW-ZWKOTPCHSA-N 1 1 395.887 1.077 50 0 GDAAMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)OCCO2 ZINC000040017892 205046262 /nfs/dbraw/zinc/04/62/62/205046262.db2.gz NFRGFYXONUCAJZ-UHFFFAOYSA-N 1 1 378.450 1.616 50 0 GDAAMO CC(C)[C@@H](CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[NH+]1CCOCC1 ZINC000041870986 205079664 /nfs/dbraw/zinc/07/96/64/205079664.db2.gz YOZUGUBNEDFSAE-MRXNPFEDSA-N 1 1 394.516 1.056 50 0 GDAAMO CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000057155073 205154960 /nfs/dbraw/zinc/15/49/60/205154960.db2.gz ZBSFRRQPFDEATC-GOSISDBHSA-N 1 1 379.526 1.581 50 0 GDAAMO Cc1cc(C)n2ncc(C(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)c2n1 ZINC000058100935 205164976 /nfs/dbraw/zinc/16/49/76/205164976.db2.gz QGXDQAPPENOIMJ-UHFFFAOYSA-N 1 1 393.495 1.813 50 0 GDAAMO COc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3ccno3)C2=O)c1OC ZINC000067712901 205257492 /nfs/dbraw/zinc/25/74/92/205257492.db2.gz HEFFGNLEQQUKLD-IBGZPJMESA-N 1 1 375.425 1.335 50 0 GDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3nc(C)cs3)CC2)C1 ZINC000067784575 205260433 /nfs/dbraw/zinc/26/04/33/205260433.db2.gz VVGPHGFHCSPVTD-MRXNPFEDSA-N 1 1 380.558 1.891 50 0 GDAAMO CCc1nc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)no1 ZINC000071524051 205285064 /nfs/dbraw/zinc/28/50/64/205285064.db2.gz CRRUMLTUBLXJLJ-HNNXBMFYSA-N 1 1 389.500 1.361 50 0 GDAAMO CC(C)NC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071523594 205286200 /nfs/dbraw/zinc/28/62/00/205286200.db2.gz FGULHUQOBINIGZ-SFHVURJKSA-N 1 1 387.528 1.992 50 0 GDAAMO Cc1ocnc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071749734 205288869 /nfs/dbraw/zinc/28/88/69/205288869.db2.gz UDPFSJDPNKHOTG-MRXNPFEDSA-N 1 1 390.484 1.158 50 0 GDAAMO CC(C)[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC[N@H+]1CC1CC1 ZINC000071749119 205289254 /nfs/dbraw/zinc/28/92/54/205289254.db2.gz LEBKRZNYKKKOOI-SFHVURJKSA-N 1 1 384.480 1.799 50 0 GDAAMO Nc1nccc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000071751234 205290964 /nfs/dbraw/zinc/29/09/64/205290964.db2.gz YNCXVNCXPUIVLR-MRXNPFEDSA-N 1 1 395.511 1.451 50 0 GDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3nc(C(C)C)no3)CC2)C1 ZINC000071751288 205291529 /nfs/dbraw/zinc/29/15/29/205291529.db2.gz VCNZHKQZLBGOCU-INIZCTEOSA-N 1 1 393.532 1.632 50 0 GDAAMO O=C(NCCCO)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071759458 205294122 /nfs/dbraw/zinc/29/41/22/205294122.db2.gz RYBZKDHKUAIISI-FQEVSTJZSA-N 1 1 385.552 1.829 50 0 GDAAMO O=C(NCCCO)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071759458 205294126 /nfs/dbraw/zinc/29/41/26/205294126.db2.gz RYBZKDHKUAIISI-FQEVSTJZSA-N 1 1 385.552 1.829 50 0 GDAAMO CCc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)[nH]n1 ZINC000071755263 205294155 /nfs/dbraw/zinc/29/41/55/205294155.db2.gz DHBKYVLFDWHJRT-HNNXBMFYSA-N 1 1 391.516 1.051 50 0 GDAAMO CCc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)n[nH]1 ZINC000071755263 205294160 /nfs/dbraw/zinc/29/41/60/205294160.db2.gz DHBKYVLFDWHJRT-HNNXBMFYSA-N 1 1 391.516 1.051 50 0 GDAAMO CCc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)n[nH]1 ZINC000071755263 205294164 /nfs/dbraw/zinc/29/41/64/205294164.db2.gz DHBKYVLFDWHJRT-HNNXBMFYSA-N 1 1 391.516 1.051 50 0 GDAAMO Cc1c(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)cnn1C ZINC000071764520 205295304 /nfs/dbraw/zinc/29/53/04/205295304.db2.gz SNFPJBKONOEPPS-KRWDZBQOSA-N 1 1 387.528 1.458 50 0 GDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(CO)o3)CC2)C1 ZINC000071764656 205295585 /nfs/dbraw/zinc/29/55/85/205295585.db2.gz RIYPQWUWRXNHOV-AWEZNQCLSA-N 1 1 375.469 1.367 50 0 GDAAMO CN(CCn1cccn1)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071765288 205295775 /nfs/dbraw/zinc/29/57/75/205295775.db2.gz WEXOVOXQMLCCQH-SFHVURJKSA-N 1 1 387.528 1.455 50 0 GDAAMO Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071770863 205296994 /nfs/dbraw/zinc/29/69/94/205296994.db2.gz PZDKRAODUZLWQU-KRWDZBQOSA-N 1 1 387.528 1.458 50 0 GDAAMO O=C(c1csc(-c2cccs2)n1)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072129195 205307596 /nfs/dbraw/zinc/30/75/96/205307596.db2.gz LVGCZAOEVIOSBA-ZDUSSCGKSA-N 1 1 376.507 1.908 50 0 GDAAMO CC(C)n1cnnc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000072134368 205308683 /nfs/dbraw/zinc/30/86/83/205308683.db2.gz JLXIZMUXCYYNPN-QGZVFWFLSA-N 1 1 390.532 1.588 50 0 GDAAMO O=C(C1CCN(Cc2ccco2)CC1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072151708 205313126 /nfs/dbraw/zinc/31/31/26/205313126.db2.gz KCULEMRXXURNCJ-LJQANCHMSA-N 1 1 375.513 1.939 50 0 GDAAMO O=C(C1CCN(Cc2ccco2)CC1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072151708 205313130 /nfs/dbraw/zinc/31/31/30/205313130.db2.gz KCULEMRXXURNCJ-LJQANCHMSA-N 1 1 375.513 1.939 50 0 GDAAMO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000072168110 205316205 /nfs/dbraw/zinc/31/62/05/205316205.db2.gz KWQUAHAQZUBBBV-SFHVURJKSA-N 1 1 383.496 1.882 50 0 GDAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000072168110 205316209 /nfs/dbraw/zinc/31/62/09/205316209.db2.gz KWQUAHAQZUBBBV-SFHVURJKSA-N 1 1 383.496 1.882 50 0 GDAAMO Cc1nc(N)nc(C)c1CC(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072436175 205350765 /nfs/dbraw/zinc/35/07/65/205350765.db2.gz IHPCISWFIREGGZ-UHFFFAOYSA-N 1 1 379.508 1.920 50 0 GDAAMO COCCOc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000079023885 205379114 /nfs/dbraw/zinc/37/91/14/205379114.db2.gz CUGJXSMYRFUCSF-MRXNPFEDSA-N 1 1 384.498 1.055 50 0 GDAAMO NC(=O)c1ccc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000079484142 205383792 /nfs/dbraw/zinc/38/37/92/205383792.db2.gz WLTSGCJNKVILEY-UHFFFAOYSA-N 1 1 395.463 1.251 50 0 GDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)CSc3nnc(N)s3)cc2C1 ZINC000082115970 205387104 /nfs/dbraw/zinc/38/71/04/205387104.db2.gz VLWIQGUSWDJKRL-UHFFFAOYSA-N 1 1 381.531 1.197 50 0 GDAAMO CCC(=O)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082121841 205388080 /nfs/dbraw/zinc/38/80/80/205388080.db2.gz SUXQUJOYAPNDJO-INIZCTEOSA-N 1 1 386.496 1.380 50 0 GDAAMO CON(C)C(=O)CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000225678702 206065471 /nfs/dbraw/zinc/06/54/71/206065471.db2.gz XCRLBFCNXDPJMD-MRXNPFEDSA-N 1 1 383.514 1.395 50 0 GDAAMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(I)cc1 ZINC000058391700 206100107 /nfs/dbraw/zinc/10/01/07/206100107.db2.gz WPSUJCDQNGQKGX-KGLIPLIRSA-N 1 1 386.233 1.884 50 0 GDAAMO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000230138967 206112133 /nfs/dbraw/zinc/11/21/33/206112133.db2.gz HJJAWCPNBANNML-PXNSSMCTSA-N 1 1 391.537 1.662 50 0 GDAAMO CS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299788918 206190449 /nfs/dbraw/zinc/19/04/49/206190449.db2.gz UNEZKOFVONWWGU-KSZLIROESA-N 1 1 377.510 1.316 50 0 GDAAMO CN(C)S(=O)(=O)c1cc(N)cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000299802963 206194223 /nfs/dbraw/zinc/19/42/23/206194223.db2.gz ZGSGDZCKWCRVHN-KBXCAEBGSA-N 1 1 394.541 1.513 50 0 GDAAMO O=c1[nH]c2ccccc2n1C1=CCN(c2nc(N3CC[C@H](O)C3)cc[nH+]2)CC1 ZINC000065410608 136163934 /nfs/dbraw/zinc/16/39/34/136163934.db2.gz HFQVTLOBVAUULR-HNNXBMFYSA-N 1 1 378.436 1.442 50 0 GDAAMO Cc1nc(C)c(C(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)s1 ZINC000072437686 136170541 /nfs/dbraw/zinc/17/05/41/136170541.db2.gz JOKPYIFVXALLGE-UHFFFAOYSA-N 1 1 388.497 1.349 50 0 GDAAMO C[N@H+]1CCN(CCC(=O)N2CCCc3ccccc32)C[C@@]12CCNC(=O)CC2 ZINC000108014576 136191839 /nfs/dbraw/zinc/19/18/39/136191839.db2.gz HTSLJXGFCVLMQN-JOCHJYFZSA-N 1 1 384.524 1.642 50 0 GDAAMO CN1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C[C@@]12CCNC(=O)CC2 ZINC000108014576 136191840 /nfs/dbraw/zinc/19/18/40/136191840.db2.gz HTSLJXGFCVLMQN-JOCHJYFZSA-N 1 1 384.524 1.642 50 0 GDAAMO CN1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C[C@@]12CCNC(=O)CC2 ZINC000108014576 136191841 /nfs/dbraw/zinc/19/18/41/136191841.db2.gz HTSLJXGFCVLMQN-JOCHJYFZSA-N 1 1 384.524 1.642 50 0 GDAAMO O=C(NCC[NH+]1CCCCC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000426490787 534326765 /nfs/dbraw/zinc/32/67/65/534326765.db2.gz ZWJDCMLYAJDLLW-SFHVURJKSA-N 1 1 379.526 1.871 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391.479 1.734 50 0 GDAAMO COC(=O)C1=C(C[N@@H+]2CCC[C@H](O)C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012798085 570716737 /nfs/dbraw/zinc/71/67/37/570716737.db2.gz ZFNXSTHCTNUJOD-QFBILLFUSA-N 1 1 385.464 1.799 50 0 GDAAMO COC(=O)C1=C(C[N@H+]2CCC[C@H](O)C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012798085 570716742 /nfs/dbraw/zinc/71/67/42/570716742.db2.gz ZFNXSTHCTNUJOD-QFBILLFUSA-N 1 1 385.464 1.799 50 0 GDAAMO Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CC[NH+](C)CC3)c2=O)c1 ZINC000065212304 570733416 /nfs/dbraw/zinc/73/34/16/570733416.db2.gz YVBHMZPUCCVYAS-UHFFFAOYSA-N 1 1 397.479 1.883 50 0 GDAAMO CCCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000025231465 570743366 /nfs/dbraw/zinc/74/33/66/570743366.db2.gz ZNIOXPZLPNUFLN-LJQANCHMSA-N 1 1 391.556 1.868 50 0 GDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c(C)nn(C)c3C)CC2)C1 ZINC000067605244 570783085 /nfs/dbraw/zinc/78/30/85/570783085.db2.gz DFAMYAMAQMGEQN-GOSISDBHSA-N 1 1 391.560 1.476 50 0 GDAAMO CCNc1cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)[nH+]c(C)n1 ZINC000067613969 570783838 /nfs/dbraw/zinc/78/38/38/570783838.db2.gz KCBMZGNWXHTQNX-UHFFFAOYSA-N 1 1 380.474 1.333 50 0 GDAAMO OC1CCN(c2cc[nH+]c(N3CC[C@@H](c4ccc5c(c4)OCO5)[C@H](O)C3)n2)CC1 ZINC000067654542 570784795 /nfs/dbraw/zinc/78/47/95/570784795.db2.gz SOLCDIUQGHONEZ-DLBZAZTESA-N 1 1 398.463 1.521 50 0 GDAAMO O=C(c1ccc(CO)o1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000067855149 570794632 /nfs/dbraw/zinc/79/46/32/570794632.db2.gz YBCNYWGXZSIMFH-INIZCTEOSA-N 1 1 389.496 1.711 50 0 GDAAMO CCn1ccnc1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000067872776 570795640 /nfs/dbraw/zinc/79/56/40/570795640.db2.gz HIOYBSQJIUYJEN-SFHVURJKSA-N 1 1 389.544 1.438 50 0 GDAAMO CCCC[N@@H+](CC)CCNc1c(=O)c(=O)c1NC1CCN(C(=O)OCC)CC1 ZINC000101515826 570826567 /nfs/dbraw/zinc/82/65/67/570826567.db2.gz OPXOUVOHLKODDW-UHFFFAOYSA-N 1 1 394.516 1.849 50 0 GDAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 ZINC000007340663 570830721 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378.476 1.398 50 0 GDAAMO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000060348625 570671563 /nfs/dbraw/zinc/67/15/63/570671563.db2.gz YCMBKKAKPHUZRJ-SFHVURJKSA-N 1 1 381.542 1.926 50 0 GDAAMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000060348625 570671564 /nfs/dbraw/zinc/67/15/64/570671564.db2.gz YCMBKKAKPHUZRJ-SFHVURJKSA-N 1 1 381.542 1.926 50 0 GDAAMO O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000012744308 570707632 /nfs/dbraw/zinc/70/76/32/570707632.db2.gz QXHQYTORRFLHQR-HXUWFJFHSA-N 1 1 390.572 1.987 50 0 GDAAMO O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000012744308 570707634 /nfs/dbraw/zinc/70/76/34/570707634.db2.gz QXHQYTORRFLHQR-HXUWFJFHSA-N 1 1 390.572 1.987 50 0 GDAAMO COc1cc(OC)c(CN2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c(OC)c1 ZINC000067514063 570780867 /nfs/dbraw/zinc/78/08/67/570780867.db2.gz IKYDYGUYYGJNMN-UHFFFAOYSA-N 1 1 377.485 1.499 50 0 GDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccc(O)c3)CC2)C1 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CN(CCCC[NH+]1CCOCC1)C(=O)c1cn(Cc2ccccc2F)nn1 ZINC000015071453 207044932 /nfs/dbraw/zinc/04/49/32/207044932.db2.gz ATSQIMMOQWLAOX-UHFFFAOYSA-N 1 1 375.448 1.650 50 0 GDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000016187623 207073304 /nfs/dbraw/zinc/07/33/04/207073304.db2.gz XVKDSCPXJVZDND-UHFFFAOYSA-N 1 1 387.505 1.652 50 0 GDAAMO CC[NH+]1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000016211309 207074042 /nfs/dbraw/zinc/07/40/42/207074042.db2.gz SKPIDNIZRCILMV-UHFFFAOYSA-N 1 1 398.554 1.042 50 0 GDAAMO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000019293049 207114671 /nfs/dbraw/zinc/11/46/71/207114671.db2.gz JBOQDOTUQGSELL-UHFFFAOYSA-N 1 1 376.407 1.486 50 0 GDAAMO CC(C)n1cc(CNC(=O)[C@@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)cn1 ZINC000019760036 207158924 /nfs/dbraw/zinc/15/89/24/207158924.db2.gz VCOVYQHEAVBQJL-GOSISDBHSA-N 1 1 391.516 1.041 50 0 GDAAMO c1ccc(CNc2nc(NCCN3CCOCC3)nc(N3CCOCC3)[nH+]2)cc1 ZINC000019774294 207160320 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ZINC000095391366 208178552 /nfs/dbraw/zinc/17/85/52/208178552.db2.gz CBCCKBKANBAIRF-IAGOWNOFSA-N 1 1 384.524 1.658 50 0 GDAAMO CCOC(=O)N1CCC(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)CC1 ZINC000095391515 208179428 /nfs/dbraw/zinc/17/94/28/208179428.db2.gz RMVXNFBVIAMIKD-HXUWFJFHSA-N 1 1 380.533 1.626 50 0 GDAAMO CCOC(=O)N1CCC([N@@H+]2CCN(C)[C@]3(C2)CCC(=O)N(CC)CC3)CC1 ZINC000095391515 208179437 /nfs/dbraw/zinc/17/94/37/208179437.db2.gz RMVXNFBVIAMIKD-HXUWFJFHSA-N 1 1 380.533 1.626 50 0 GDAAMO CCOC(=O)N1CCC([N@H+]2CCN(C)[C@]3(C2)CCC(=O)N(CC)CC3)CC1 ZINC000095391515 208179443 /nfs/dbraw/zinc/17/94/43/208179443.db2.gz RMVXNFBVIAMIKD-HXUWFJFHSA-N 1 1 380.533 1.626 50 0 GDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c(C)nc2cc(OC)c(OC)cc2c1=O ZINC000095475244 208193210 /nfs/dbraw/zinc/19/32/10/208193210.db2.gz HZKBATQXMDWHBE-CQSZACIVSA-N 1 1 388.468 1.323 50 0 GDAAMO CNc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)ccn1 ZINC000095503394 208202959 /nfs/dbraw/zinc/20/29/59/208202959.db2.gz 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O=c1cc(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nc2ccccn12 ZINC000096908340 208327503 /nfs/dbraw/zinc/32/75/03/208327503.db2.gz GUITWGBAOIFOLG-UHFFFAOYSA-N 1 1 376.460 1.947 50 0 GDAAMO CC[NH+]1CCN([C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)CC1 ZINC000101468392 208393439 /nfs/dbraw/zinc/39/34/39/208393439.db2.gz XSAQMNUDDGBPFB-INIZCTEOSA-N 1 1 375.469 1.011 50 0 GDAAMO COc1cc(Br)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1OC ZINC000054371741 208813460 /nfs/dbraw/zinc/81/34/60/208813460.db2.gz HUCMYMXSJAPUEF-VIFPVBQESA-N 1 1 379.276 1.449 50 0 GDAAMO O=S(=O)(c1ccccc1Br)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096122406 209011946 /nfs/dbraw/zinc/01/19/46/209011946.db2.gz AAWDOXNHNQVSPF-CYBMUJFWSA-N 1 1 389.315 1.669 50 0 GDAAMO CCc1nnc(NC(=O)CC[NH+]2CCN(c3cc(CC)ncn3)CC2)s1 ZINC000244852611 209024056 /nfs/dbraw/zinc/02/40/56/209024056.db2.gz UVRFRTHUQLKJTJ-UHFFFAOYSA-N 1 1 375.502 1.604 50 0 GDAAMO NC(=O)c1cccnc1N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071764270 136166417 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1.825 50 0 biogenic GDAAMO CCCC[N@H+]1CCn2nc(CNS(=O)(=O)c3ccnn3C(C)C)cc2C1 ZINC000426493052 528488944 /nfs/dbraw/zinc/48/89/44/528488944.db2.gz BTZCXZLMTDSZRI-UHFFFAOYSA-N 1 1 380.518 1.755 50 0 GDAAMO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc3n(n2)CCN(C(=O)C2CCC2)C3)C1 ZINC000426473491 529008432 /nfs/dbraw/zinc/00/84/32/529008432.db2.gz IZEYZJRBSOPZSH-OAHLLOKOSA-N 1 1 375.473 1.346 50 0 GDAAMO COc1ccc(CC(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC000049422538 570267558 /nfs/dbraw/zinc/26/75/58/570267558.db2.gz JVCQPBLPZHHSLP-UHFFFAOYSA-N 1 1 385.468 1.401 50 0 GDAAMO Cn1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)n1 ZINC000049543468 570268498 /nfs/dbraw/zinc/26/84/98/570268498.db2.gz RNDGGVVCKSXABU-RDJZCZTQSA-N 1 1 397.483 1.196 50 0 biogenic GDAAMO CN1C(=O)CO[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241430 570412464 /nfs/dbraw/zinc/41/24/64/570412464.db2.gz PUQVCMROYXLCAW-MSOLQXFVSA-N 1 1 395.887 1.077 50 0 GDAAMO C[N@H+]1CCN(Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)CC1(C)C 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NXNIYVBTEKYUNZ-HXUWFJFHSA-N 1 1 399.491 1.468 50 0 GDAAMO c1ccc2c(c1)nc1n2CN(CCC[NH+]2CCOCC2)CN1C[C@@H]1CCCO1 ZINC000009190052 570551883 /nfs/dbraw/zinc/55/18/83/570551883.db2.gz MGXIWKUSOJGBCY-SFHVURJKSA-N 1 1 385.512 1.975 50 0 GDAAMO Nc1nnnn1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000011815087 570583801 /nfs/dbraw/zinc/58/38/01/570583801.db2.gz OEJWJSYRAGUNGD-HXUWFJFHSA-N 1 1 383.500 1.203 50 0 GDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)NCCOc1cccnc1 ZINC000011821885 570586061 /nfs/dbraw/zinc/58/60/61/570586061.db2.gz WZCLNVKZSKEICZ-HXUWFJFHSA-N 1 1 396.491 1.400 50 0 GDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)NCCOc1cccnc1 ZINC000011821885 570586065 /nfs/dbraw/zinc/58/60/65/570586065.db2.gz WZCLNVKZSKEICZ-HXUWFJFHSA-N 1 1 396.491 1.400 50 0 GDAAMO CN(C(=O)Cc1cnc2ncnn2c1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000039519038 570593344 /nfs/dbraw/zinc/59/33/44/570593344.db2.gz AKEIRIGVMVYUQQ-LJQANCHMSA-N 1 1 378.480 1.832 50 0 GDAAMO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c(C)c12 ZINC000119352336 570627714 /nfs/dbraw/zinc/62/77/14/570627714.db2.gz HPQRSZWHZSXIAR-INIZCTEOSA-N 1 1 387.528 1.905 50 0 GDAAMO Cc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2Cc3ccccc3C2)n1 ZINC000012305634 570638851 /nfs/dbraw/zinc/63/88/51/570638851.db2.gz UPNNDIHCHZLUOP-FQEVSTJZSA-N 1 1 378.476 1.364 50 0 GDAAMO Cc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C2Cc3ccccc3C2)n1 ZINC000012305634 570638856 /nfs/dbraw/zinc/63/88/56/570638856.db2.gz UPNNDIHCHZLUOP-FQEVSTJZSA-N 1 1 378.476 1.364 50 0 GDAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012467418 570671627 /nfs/dbraw/zinc/67/16/27/570671627.db2.gz WQGSWBMUBPYDOT-OAHLLOKOSA-N 1 1 378.498 1.619 50 0 GDAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012467418 570671630 /nfs/dbraw/zinc/67/16/30/570671630.db2.gz WQGSWBMUBPYDOT-OAHLLOKOSA-N 1 1 378.498 1.619 50 0 GDAAMO Cc1nc(CN2CC[NH+](Cc3cn(CCC(N)=O)c4ccccc34)CC2)no1 ZINC000055393257 570694428 /nfs/dbraw/zinc/69/44/28/570694428.db2.gz LYNGEWWORHHFFO-UHFFFAOYSA-N 1 1 382.468 1.526 50 0 GDAAMO COc1ccccc1-n1cc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)cn1 ZINC000012715697 570704459 /nfs/dbraw/zinc/70/44/59/570704459.db2.gz RCKSLTRHLXNYMF-QGZVFWFLSA-N 1 1 385.468 1.096 50 0 GDAAMO COc1ccccc1-n1cc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)cn1 ZINC000012715697 570704463 /nfs/dbraw/zinc/70/44/63/570704463.db2.gz RCKSLTRHLXNYMF-QGZVFWFLSA-N 1 1 385.468 1.096 50 0 GDAAMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000058108029 570709273 /nfs/dbraw/zinc/70/92/73/570709273.db2.gz OQQLRPBCUZEIKP-QRVBRYPASA-N 1 1 389.496 1.917 50 0 GDAAMO COCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2C2Cc3ccccc3C2)CC1 ZINC000012458167 570736149 /nfs/dbraw/zinc/73/61/49/570736149.db2.gz MWQVJIDJOHJHDT-FQEVSTJZSA-N 1 1 385.508 1.229 50 0 GDAAMO COCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2C2Cc3ccccc3C2)CC1 ZINC000012458167 570736151 /nfs/dbraw/zinc/73/61/51/570736151.db2.gz MWQVJIDJOHJHDT-FQEVSTJZSA-N 1 1 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CCN1CC[C@@]2(C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCN2C)CCC1=O ZINC000091849344 208142189 /nfs/dbraw/zinc/14/21/89/208142189.db2.gz WBQZTKAUMXWMJW-HXUWFJFHSA-N 1 1 383.500 1.385 50 0 GDAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)CCC1=O ZINC000092046362 208145911 /nfs/dbraw/zinc/14/59/11/208145911.db2.gz LKYYTHRDJZNTRT-NRFANRHFSA-N 1 1 384.480 1.546 50 0 GDAAMO O=C(C[NH+]1CCCC1)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1 ZINC000092036900 208148077 /nfs/dbraw/zinc/14/80/77/208148077.db2.gz MZGACFTYQNYCDX-UHFFFAOYSA-N 1 1 385.512 1.508 50 0 GDAAMO COc1ccc(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1Cn1cccn1 ZINC000092107686 208148642 /nfs/dbraw/zinc/14/86/42/208148642.db2.gz XWBYJYILFOVWIR-QFIPXVFZSA-N 1 1 397.523 1.726 50 0 GDAAMO O=C(CC[C@@H]1CCC[N@H+](C(CO)CO)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095501583 208200473 /nfs/dbraw/zinc/20/04/73/208200473.db2.gz CAFMESOPZJFNDN-FQEVSTJZSA-N 1 1 389.540 1.176 50 0 GDAAMO O=C(C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1)N1CCOCC1 ZINC000095499869 208201078 /nfs/dbraw/zinc/20/10/78/208201078.db2.gz GCKNVCSXMRKHAM-HNNXBMFYSA-N 1 1 379.888 1.641 50 0 GDAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 ZINC000095504132 208204405 /nfs/dbraw/zinc/20/44/05/208204405.db2.gz OJRUVNHMZCSJCW-SFHVURJKSA-N 1 1 379.468 1.326 50 0 GDAAMO O=S(=O)(N1CCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095518523 208215912 /nfs/dbraw/zinc/21/59/12/208215912.db2.gz BUQIXJMUAHGNNS-KRWDZBQOSA-N 1 1 375.498 1.846 50 0 GDAAMO CNC(=O)CN(C)Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095519143 208217520 /nfs/dbraw/zinc/21/75/20/208217520.db2.gz JHPMNSQYBPSIHU-OAQYLSRUSA-N 1 1 397.519 1.662 50 0 GDAAMO COCC(=O)N1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095519060 208217821 /nfs/dbraw/zinc/21/78/21/208217821.db2.gz ZPQXLVBFCUIKCL-FQEVSTJZSA-N 1 1 387.524 1.996 50 0 GDAAMO NC(=O)C[NH+]1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000095527954 208225394 /nfs/dbraw/zinc/22/53/94/208225394.db2.gz HRRYQTLATLVXCY-UHFFFAOYSA-N 1 1 381.476 1.988 50 0 GDAAMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000095958315 208245123 /nfs/dbraw/zinc/24/51/23/208245123.db2.gz HKEAPJOWSCTFRA-QGZVFWFLSA-N 1 1 394.541 1.763 50 0 GDAAMO Cn1nnc(-c2ccc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)n1 ZINC000096115960 208263161 /nfs/dbraw/zinc/26/31/61/208263161.db2.gz VBAYPZWXYRBEHU-FUHWJXTLSA-N 1 1 384.484 1.637 50 0 biogenic GDAAMO COCCC[N@@H+](C)CCNC(=O)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000230138972 209005991 /nfs/dbraw/zinc/00/59/91/209005991.db2.gz HJJAWCPNBANNML-XLIONFOSSA-N 1 1 391.537 1.662 50 0 GDAAMO O=C1C[C@@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1 ZINC000097957207 209015395 /nfs/dbraw/zinc/01/53/95/209015395.db2.gz IJXICEILORLYEJ-QZTJIDSGSA-N 1 1 391.427 1.231 50 0 GDAAMO O=S(=O)(c1cccs1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000013371139 221268401 /nfs/dbraw/zinc/26/84/01/221268401.db2.gz MWNGDPHVVIZMJJ-GJZGRUSLSA-N 1 1 385.532 1.520 50 0 GDAAMO O=C(CNC(=O)CC1CCCC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000058244235 136155140 /nfs/dbraw/zinc/15/51/40/136155140.db2.gz CHEPLTIZLAUJTM-UHFFFAOYSA-N 1 1 390.503 1.760 50 0 GDAAMO CCCN1c2cc(C(=O)N3CC[NH+](CC)CC3)ccc2N2C(=O)CC[C@H]2C1=O ZINC000065202210 136160000 /nfs/dbraw/zinc/16/00/00/136160000.db2.gz HPUZDILUUVTLHC-KRWDZBQOSA-N 1 1 384.480 1.716 50 0 GDAAMO CNc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)ncc1F ZINC000071770835 136166473 /nfs/dbraw/zinc/16/64/73/136166473.db2.gz YRQFUJRSFYSUTB-AWEZNQCLSA-N 1 1 394.495 1.101 50 0 GDAAMO CCOc1ccc(C[N@@H+]2CCN(c3cc(NC)nc(N)n3)C[C@@H]2CCO)cc1 ZINC000072480542 136171268 /nfs/dbraw/zinc/17/12/68/136171268.db2.gz MFKQSSPZDYTPTQ-INIZCTEOSA-N 1 1 386.500 1.572 50 0 GDAAMO CCOc1ccc(C[N@H+]2CCN(c3cc(NC)nc(N)n3)C[C@@H]2CCO)cc1 ZINC000072480542 136171269 /nfs/dbraw/zinc/17/12/69/136171269.db2.gz MFKQSSPZDYTPTQ-INIZCTEOSA-N 1 1 386.500 1.572 50 0 GDAAMO Cc1cnc(C)c(N2CCc3[nH+]c(N(C)C)nc(N4CCC(O)CC4)c3C2)n1 ZINC000077392255 136172021 /nfs/dbraw/zinc/17/20/21/136172021.db2.gz JOUPFRRYLRFXFW-UHFFFAOYSA-N 1 1 383.500 1.473 50 0 GDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@@H]1CO ZINC000091915302 136177372 /nfs/dbraw/zinc/17/73/72/136177372.db2.gz RKQOGNMTJZBZTP-WOJBJXKFSA-N 1 1 389.540 1.672 50 0 GDAAMO Cc1c(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1C(=O)NCC(C)C ZINC000299761164 209084809 /nfs/dbraw/zinc/08/48/09/209084809.db2.gz SPEORKFZXZIGHU-MRXNPFEDSA-N 1 1 375.517 1.748 50 0 GDAAMO O=C(NCCCO)c1cn([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)nn1 ZINC000299761925 209085084 /nfs/dbraw/zinc/08/50/84/209085084.db2.gz ZEGUFWFSHPAXMU-INIZCTEOSA-N 1 1 377.876 1.881 50 0 GDAAMO Cc1[nH+]ccn1CCNC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000426716863 534775803 /nfs/dbraw/zinc/77/58/03/534775803.db2.gz JUIKRQGNRWWQTR-QGZVFWFLSA-N 1 1 376.482 1.590 50 0 GDAAMO Cn1ncc2c1nc(NC1CC[NH+](CC(=O)Nc3ccccc3)CC1)[nH]c2=O ZINC000057841213 534836162 /nfs/dbraw/zinc/83/61/62/534836162.db2.gz CZDDWHUSAFXRQK-UHFFFAOYSA-N 1 1 381.440 1.172 50 0 GDAAMO Cc1cc2nc(C(=O)NCc3cc4n(n3)CC[N@H+](CC(C)C)C4)cc(C)n2n1 ZINC000215732499 570290967 /nfs/dbraw/zinc/29/09/67/570290967.db2.gz FPAWVXZAQUURET-UHFFFAOYSA-N 1 1 381.484 1.944 50 0 GDAAMO Cc1ccc2c(c1)c(CNC(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1)nn2C ZINC000219320387 570354369 /nfs/dbraw/zinc/35/43/69/570354369.db2.gz WJEZPVBKGXXPQF-CQSZACIVSA-N 1 1 378.498 1.007 50 0 GDAAMO Cc1ccc2c(c1)c(CNC(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)nn2C ZINC000219320387 570354373 /nfs/dbraw/zinc/35/43/73/570354373.db2.gz WJEZPVBKGXXPQF-CQSZACIVSA-N 1 1 378.498 1.007 50 0 GDAAMO COc1ccccc1N1CCN(C(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000004413272 570373975 /nfs/dbraw/zinc/37/39/75/570373975.db2.gz ALLVMDCMILIRMF-BBWFWOEESA-N 1 1 386.496 1.133 50 0 GDAAMO CC[NH+]1CCN(C(=O)CCc2nc(CS(=O)(=O)c3ccccc3)no2)CC1 ZINC000035562494 570397780 /nfs/dbraw/zinc/39/77/80/570397780.db2.gz NNBHWDXKXMDPMJ-UHFFFAOYSA-N 1 1 392.481 1.140 50 0 GDAAMO CN1C(=O)CO[C@@H](C(=O)Nc2cc(C[NH+](C)C)[nH]n2)[C@H]1c1ccc(Cl)cc1 ZINC000072258573 570421167 /nfs/dbraw/zinc/42/11/67/570421167.db2.gz WTSPMHPSLWQSKF-IAGOWNOFSA-N 1 1 391.859 1.662 50 0 GDAAMO C[C@@H]1CN(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@H](C)O1 ZINC000242047856 570432240 /nfs/dbraw/zinc/43/22/40/570432240.db2.gz VQRHJNAXZACSFO-FCEWJHQRSA-N 1 1 397.541 1.087 50 0 GDAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+][C@H]3CC[C@H](O)CC3)c2)CC1 ZINC000244811738 570433848 /nfs/dbraw/zinc/43/38/48/570433848.db2.gz SKGJIQBBSMPRRP-NJDAHSKKSA-N 1 1 391.556 1.457 50 0 GDAAMO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000072292478 570493348 /nfs/dbraw/zinc/49/33/48/570493348.db2.gz VMHAOXSRMMLDSF-OAHLLOKOSA-N 1 1 396.495 1.894 50 0 GDAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CCC(N)=O ZINC000011813665 570583386 /nfs/dbraw/zinc/58/33/86/570583386.db2.gz APKHSLFWLXBJKB-QGZVFWFLSA-N 1 1 387.524 1.606 50 0 GDAAMO Cc1cccc(N2CCC(NC(=O)C[C@H]3C(=O)NCC[N@H+]3CC(C)C)CC2)c1 ZINC000011816552 570584467 /nfs/dbraw/zinc/58/44/67/570584467.db2.gz ZTTYZRWJNZLJAW-FQEVSTJZSA-N 1 1 386.540 1.927 50 0 GDAAMO Cc1cccc(N2CCC(NC(=O)C[C@H]3C(=O)NCC[N@@H+]3CC(C)C)CC2)c1 ZINC000011816552 570584470 /nfs/dbraw/zinc/58/44/70/570584470.db2.gz ZTTYZRWJNZLJAW-FQEVSTJZSA-N 1 1 386.540 1.927 50 0 GDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCOc1cccnc1 ZINC000011821455 570586195 /nfs/dbraw/zinc/58/61/95/570586195.db2.gz ODKBCZVYXUOCKR-LJQANCHMSA-N 1 1 382.464 1.010 50 0 GDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCOc1cccnc1 ZINC000011821455 570586198 /nfs/dbraw/zinc/58/61/98/570586198.db2.gz ODKBCZVYXUOCKR-LJQANCHMSA-N 1 1 382.464 1.010 50 0 GDAAMO Cc1nc2sccn2c1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000039358372 570589990 /nfs/dbraw/zinc/58/99/90/570589990.db2.gz UXTOHRNQRLVJRM-QGZVFWFLSA-N 1 1 377.558 1.667 50 0 GDAAMO Cc1nc2sccn2c1CN1CC[N@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000039358372 570589993 /nfs/dbraw/zinc/58/99/93/570589993.db2.gz UXTOHRNQRLVJRM-QGZVFWFLSA-N 1 1 377.558 1.667 50 0 GDAAMO C[NH+]1CCN(C(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 ZINC000006806513 570606971 /nfs/dbraw/zinc/60/69/71/570606971.db2.gz KBOYRAAYQIJLJJ-UHFFFAOYSA-N 1 1 397.479 1.226 50 0 GDAAMO Cc1cccc(C(=O)N(CCC(C)C)CCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000046140849 570650926 /nfs/dbraw/zinc/65/09/26/570650926.db2.gz DLMQULVFCYJNNR-UHFFFAOYSA-N 1 1 381.542 1.718 50 0 GDAAMO CCCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OC)cc1 ZINC000046140882 570650939 /nfs/dbraw/zinc/65/09/39/570650939.db2.gz SDTZLCGPVUSDKA-UHFFFAOYSA-N 1 1 397.541 1.563 50 0 GDAAMO CC[C@H](CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000229729447 570666152 /nfs/dbraw/zinc/66/61/52/570666152.db2.gz JLQHXRRHVBNPID-TXPKVOOTSA-N 1 1 381.542 1.767 50 0 GDAAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 ZINC000036390210 570671154 /nfs/dbraw/zinc/67/11/54/570671154.db2.gz BZTMBTZTEIZCRR-WHSLLNHNSA-N 1 1 386.496 1.939 50 0 GDAAMO COC(=O)[C@@H](CCSC)NC(=S)N1CC[NH+](CCc2ccncc2)CC1 ZINC000036585536 570744635 /nfs/dbraw/zinc/74/46/35/570744635.db2.gz IRYJHTIRJREQGQ-MRXNPFEDSA-N 1 1 396.582 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50 0 GDAAMO O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000025124236 570725933 /nfs/dbraw/zinc/72/59/33/570725933.db2.gz PDVMCTJXRYDPBL-INIZCTEOSA-N 1 1 385.489 1.523 50 0 GDAAMO CC[N@@H+](CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C1CC1 ZINC000058331656 570727859 /nfs/dbraw/zinc/72/78/59/570727859.db2.gz DVJGIPOADZMNCB-QGZVFWFLSA-N 1 1 395.525 1.358 50 0 GDAAMO CCOc1ccc(C(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC000065362746 570760210 /nfs/dbraw/zinc/76/02/10/570760210.db2.gz WATMAFBRJYFPBZ-UHFFFAOYSA-N 1 1 385.468 1.862 50 0 GDAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)CC1 ZINC000065365359 570761221 /nfs/dbraw/zinc/76/12/21/570761221.db2.gz HJFGSYGSIDSHOF-UHFFFAOYSA-N 1 1 393.431 1.636 50 0 GDAAMO CCn1c2ccccc2n(CC(=O)NCCC[N@H+]2CCCC[C@H]2C)c(=O)c1=O ZINC000021944028 570773757 /nfs/dbraw/zinc/77/37/57/570773757.db2.gz IRJDSVVQTNWTQJ-MRXNPFEDSA-N 1 1 386.496 1.564 50 0 GDAAMO CC[NH+]1CCN(C(=O)CN2c3ccc(C)cc3C(=O)N3CCC[C@H]3C2=O)CC1 ZINC000065306790 570790383 /nfs/dbraw/zinc/79/03/83/570790383.db2.gz BJFFCXITZAPURF-SFHVURJKSA-N 1 1 384.480 1.110 50 0 GDAAMO Cc1nc(-n2cccn2)cc(NCCNC(=O)c2cc3ccccc3oc2=O)[nH+]1 ZINC000036705462 570793093 /nfs/dbraw/zinc/79/30/93/570793093.db2.gz GFNHYXNLYUWCIM-UHFFFAOYSA-N 1 1 390.403 1.919 50 0 GDAAMO COc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC000036708101 570793735 /nfs/dbraw/zinc/79/37/35/570793735.db2.gz HDSZPQLDRBEWBG-UHFFFAOYSA-N 1 1 386.456 1.864 50 0 GDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)CC1 ZINC000065312952 570794401 /nfs/dbraw/zinc/79/44/01/570794401.db2.gz ADYWCMBKNOEGDH-CQSZACIVSA-N 1 1 376.892 1.763 50 0 GDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(Cn2c(C)nc3ccccc3c2=O)no1 ZINC000033255815 570863047 /nfs/dbraw/zinc/86/30/47/570863047.db2.gz IHINHZQXHLLOTF-CQSZACIVSA-N 1 1 396.451 1.350 50 0 GDAAMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc(OC)c1OCC(N)=O ZINC000022381437 570887765 /nfs/dbraw/zinc/88/77/65/570887765.db2.gz XQBVJYRSCMHAEM-ZDUSSCGKSA-N 1 1 391.424 1.194 50 0 GDAAMO COCC(=O)N[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@H]2C1 ZINC000534581128 570903047 /nfs/dbraw/zinc/90/30/47/570903047.db2.gz DPQBWEJNSDLWNM-HEFCMCLBSA-N 1 1 388.468 1.944 50 0 GDAAMO COc1cccc2c1OCCCN(C(=O)NC[C@H]1CCC[N@@H+](CCO)C1)C2 ZINC000534641751 570908859 /nfs/dbraw/zinc/90/88/59/570908859.db2.gz RXLWZZVJQIMEPM-MRXNPFEDSA-N 1 1 377.485 1.694 50 0 GDAAMO CO[C@]12CC[N@@H+](Cc3cncs3)[C@H]1C[C@H](NC(=O)Cn1cccn1)CC2 ZINC000534636968 570911945 /nfs/dbraw/zinc/91/19/45/570911945.db2.gz YHYXDNWOCKSWCC-UWWQBHOKSA-N 1 1 375.498 1.668 50 0 GDAAMO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000046993647 570938224 /nfs/dbraw/zinc/93/82/24/570938224.db2.gz QEDXWKUOSWYLPG-QZTJIDSGSA-N 1 1 379.526 1.667 50 0 GDAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCn2c3ccccc3n(C)c(=O)c2=O)C1 ZINC000033272393 570947775 /nfs/dbraw/zinc/94/77/75/570947775.db2.gz RWCGTEXSFJTDQV-INIZCTEOSA-N 1 1 386.496 1.329 50 0 GDAAMO Cc1c(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)[nH]nc1-c1ccccc1 ZINC000426503196 231230855 /nfs/dbraw/zinc/23/08/55/231230855.db2.gz ZWIPGQTZQXRFTE-UHFFFAOYSA-N 1 1 381.480 1.812 50 0 GDAAMO Cc1c(C(=O)N2CCC3(CC2)C(=O)NCCC[N@H+]3C)n[nH]c1-c1ccccc1 ZINC000426503196 231230858 /nfs/dbraw/zinc/23/08/58/231230858.db2.gz ZWIPGQTZQXRFTE-UHFFFAOYSA-N 1 1 381.480 1.812 50 0 GDAAMO Cc1c(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n[nH]c1-c1ccccc1 ZINC000426503196 231230860 /nfs/dbraw/zinc/23/08/60/231230860.db2.gz ZWIPGQTZQXRFTE-UHFFFAOYSA-N 1 1 381.480 1.812 50 0 GDAAMO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000426647033 231249557 /nfs/dbraw/zinc/24/95/57/231249557.db2.gz INOBVDUSWPBMPD-SFHVURJKSA-N 1 1 388.560 1.993 50 0 GDAAMO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000426647033 231249560 /nfs/dbraw/zinc/24/95/60/231249560.db2.gz INOBVDUSWPBMPD-SFHVURJKSA-N 1 1 388.560 1.993 50 0 GDAAMO O=C(Cn1ccnc1-c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000426691106 231253053 /nfs/dbraw/zinc/25/30/53/231253053.db2.gz APBBPQVIQMYGAG-WOJBJXKFSA-N 1 1 391.475 1.697 50 0 GDAAMO O=C(Cn1ccnc1-c1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000426691106 231253058 /nfs/dbraw/zinc/25/30/58/231253058.db2.gz APBBPQVIQMYGAG-WOJBJXKFSA-N 1 1 391.475 1.697 50 0 GDAAMO O=C(CCNC(=O)c1ccc(Br)cc1)NCCC[NH+]1CCOCC1 ZINC000017171310 210205762 /nfs/dbraw/zinc/20/57/62/210205762.db2.gz ABQNRZUIZYUTCT-UHFFFAOYSA-N 1 1 398.301 1.408 50 0 GDAAMO COc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1C ZINC000014995569 210140660 /nfs/dbraw/zinc/14/06/60/210140660.db2.gz MOXCMZKBMJCNAS-KRWDZBQOSA-N 1 1 387.484 1.544 50 0 GDAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)c(C)c1 ZINC000014747126 210127610 /nfs/dbraw/zinc/12/76/10/210127610.db2.gz BXGHOIWZNUVPMR-LEWJYISDSA-N 1 1 393.487 1.763 50 0 GDAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)c(C)c1 ZINC000014747126 210127617 /nfs/dbraw/zinc/12/76/17/210127617.db2.gz BXGHOIWZNUVPMR-LEWJYISDSA-N 1 1 393.487 1.763 50 0 GDAAMO CC[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C[C@H]1O ZINC000252512274 531091544 /nfs/dbraw/zinc/09/15/44/531091544.db2.gz OQODGMMBLCEVRP-SWLSCSKDSA-N 1 1 398.301 1.515 50 0 GDAAMO CC[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C[C@H]1O ZINC000252512274 531091547 /nfs/dbraw/zinc/09/15/47/531091547.db2.gz OQODGMMBLCEVRP-SWLSCSKDSA-N 1 1 398.301 1.515 50 0 GDAAMO Cc1c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000012906614 210025730 /nfs/dbraw/zinc/02/57/30/210025730.db2.gz OPOPNYYANKVUAD-UHFFFAOYSA-N 1 1 392.463 1.677 50 0 GDAAMO O=S(=O)(NCC[N@H+]1CCCC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000670441082 531831908 /nfs/dbraw/zinc/83/19/08/531831908.db2.gz JZAOEDCZAKCHOL-LBPRGKRZSA-N 1 1 382.404 1.710 50 0 GDAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000670441082 531831918 /nfs/dbraw/zinc/83/19/18/531831918.db2.gz JZAOEDCZAKCHOL-LBPRGKRZSA-N 1 1 382.404 1.710 50 0 GDAAMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3cncc(C(N)=O)c3)c2O1 ZINC000299801821 212041567 /nfs/dbraw/zinc/04/15/67/212041567.db2.gz XXQDFLYGNUGJPF-MJGOQNOKSA-N 1 1 394.475 1.752 50 0 GDAAMO CC1(C)SC[C@@H](C(=O)N2CCC[N@H+](Cc3cccc(F)c3)CC2)NC1=O ZINC000299790387 212038933 /nfs/dbraw/zinc/03/89/33/212038933.db2.gz BELIKGCUIVAYDB-INIZCTEOSA-N 1 1 379.501 1.870 50 0 GDAAMO CC1(C)SC[C@@H](C(=O)N2CCC[N@@H+](Cc3cccc(F)c3)CC2)NC1=O ZINC000299790387 212038936 /nfs/dbraw/zinc/03/89/36/212038936.db2.gz BELIKGCUIVAYDB-INIZCTEOSA-N 1 1 379.501 1.870 50 0 GDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)[C@@H]3CCCCN3C(=O)OC)cc2C1 ZINC000299781542 212037776 /nfs/dbraw/zinc/03/77/76/212037776.db2.gz DQLWYWRENDJBBQ-KRWDZBQOSA-N 1 1 377.489 1.736 50 0 GDAAMO CC(C)n1ccc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)n1 ZINC000299790198 212039919 /nfs/dbraw/zinc/03/99/19/212039919.db2.gz BAFLKMAZAHTKBO-LVKMRUPZSA-N 1 1 379.508 1.761 50 0 GDAAMO CN(C)C(=O)CCc1ccccc1NC(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000299779918 212036258 /nfs/dbraw/zinc/03/62/58/212036258.db2.gz JAZAMXLNBVXKNE-KRWDZBQOSA-N 1 1 376.501 1.676 50 0 GDAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000299754444 212030816 /nfs/dbraw/zinc/03/08/16/212030816.db2.gz PXHCBHLTSADOAB-CRAIPNDOSA-N 1 1 384.480 1.825 50 0 biogenic GDAAMO CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C(=O)[O-])C2)CC1 ZINC000096150015 211310082 /nfs/dbraw/zinc/31/00/82/211310082.db2.gz HFWNMKSQYNORLA-UGKGYDQZSA-N 1 1 385.508 1.764 50 0 GDAAMO Cn1c(C[NH+]2CCCCCC2)nnc1C1CCN(C(=O)Cn2cnnc2)CC1 ZINC000096140255 211307272 /nfs/dbraw/zinc/30/72/72/211307272.db2.gz UBDNRCLEBFEJKK-UHFFFAOYSA-N 1 1 386.504 1.189 50 0 GDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095511465 211262771 /nfs/dbraw/zinc/26/27/71/211262771.db2.gz ZCGAMZPAETYIGS-GOSISDBHSA-N 1 1 399.539 1.897 50 0 GDAAMO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095511465 211262773 /nfs/dbraw/zinc/26/27/73/211262773.db2.gz ZCGAMZPAETYIGS-GOSISDBHSA-N 1 1 399.539 1.897 50 0 GDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095511465 211262777 /nfs/dbraw/zinc/26/27/77/211262777.db2.gz ZCGAMZPAETYIGS-GOSISDBHSA-N 1 1 399.539 1.897 50 0 GDAAMO CC[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C[C@@H]1O ZINC000095445096 211240531 /nfs/dbraw/zinc/24/05/31/211240531.db2.gz OQODGMMBLCEVRP-DOMZBBRYSA-N 1 1 398.301 1.515 50 0 GDAAMO CC[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C[C@@H]1O ZINC000095445096 211240533 /nfs/dbraw/zinc/24/05/33/211240533.db2.gz OQODGMMBLCEVRP-DOMZBBRYSA-N 1 1 398.301 1.515 50 0 GDAAMO COc1ccccc1CNC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000095409009 211238322 /nfs/dbraw/zinc/23/83/22/211238322.db2.gz RMRAUQWLEZKESW-QGZVFWFLSA-N 1 1 376.545 1.658 50 0 GDAAMO Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c(C)c1C ZINC000095391714 211237012 /nfs/dbraw/zinc/23/70/12/211237012.db2.gz RQFBHXZIBLEFBO-FQEVSTJZSA-N 1 1 375.517 1.354 50 0 GDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2nc4ncccn4n2)C3)cc1 ZINC000095389396 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C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 ZINC000191429280 530948466 /nfs/dbraw/zinc/94/84/66/530948466.db2.gz FLAFEGSNTIHWQT-CYBMUJFWSA-N 1 1 393.962 1.429 50 0 GDAAMO Cc1cc(S(=O)(=O)N2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)c(C)s1 ZINC000191566352 530950413 /nfs/dbraw/zinc/95/04/13/530950413.db2.gz FUQQNTCMIMMCBC-AWEZNQCLSA-N 1 1 387.571 1.392 50 0 GDAAMO Cc1cc(S(=O)(=O)N2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)c(C)s1 ZINC000191566352 530950416 /nfs/dbraw/zinc/95/04/16/530950416.db2.gz FUQQNTCMIMMCBC-AWEZNQCLSA-N 1 1 387.571 1.392 50 0 GDAAMO C[NH+]1CCN(C(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1 ZINC000013368696 210058437 /nfs/dbraw/zinc/05/84/37/210058437.db2.gz FFDTWAYASZBJKT-UHFFFAOYSA-N 1 1 377.448 1.156 50 0 GDAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000002306992 209355995 /nfs/dbraw/zinc/35/59/95/209355995.db2.gz DHQDYISHJPYCHP-UHFFFAOYSA-N 1 1 390.415 1.620 50 0 GDAAMO O=C(C[NH+]1CCCCC1)NN1CC(=O)N(c2cccc(C(F)(F)F)c2)CC1=O ZINC000000642518 209254344 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biogenic GDAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000020362795 210329382 /nfs/dbraw/zinc/32/93/82/210329382.db2.gz DXPZWBMDTRUKHZ-UHFFFAOYSA-N 1 1 389.905 1.279 50 0 GDAAMO CCOC(=O)c1oc2ccc(OC)cc2c1NC(=O)CN1CC[NH+](C)CC1 ZINC000020170692 210322561 /nfs/dbraw/zinc/32/25/61/210322561.db2.gz RVEMAGQNWJTLIN-UHFFFAOYSA-N 1 1 375.425 1.804 50 0 GDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000019831381 210300668 /nfs/dbraw/zinc/30/06/68/210300668.db2.gz RVKNHDCAMXDJOW-UHFFFAOYSA-N 1 1 395.503 1.773 50 0 GDAAMO Cc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000019905435 210307761 /nfs/dbraw/zinc/30/77/61/210307761.db2.gz AQHJCBIKBOWGTD-UHFFFAOYSA-N 1 1 387.505 1.964 50 0 GDAAMO O=C1C[C@@H](N2CC[NH+](CCc3ccncc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019890212 210307691 /nfs/dbraw/zinc/30/76/91/210307691.db2.gz BPKVRBNOTRJZHE-LJQANCHMSA-N 1 1 382.439 1.713 50 0 GDAAMO COc1cc2c(cc1C[N@H+]1CC[C@]3(OC)CC[C@H](OCCO)C[C@H]13)OCO2 ZINC000426412771 533156515 /nfs/dbraw/zinc/15/65/15/533156515.db2.gz LXXNVPJFLUIVIT-RYGJVYDSSA-N 1 1 379.453 1.945 50 0 GDAAMO O=C(Nc1cnns1)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000065371434 136163737 /nfs/dbraw/zinc/16/37/37/136163737.db2.gz PWNMPGYRWFQNNF-UHFFFAOYSA-N 1 1 381.465 1.903 50 0 GDAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(c3ncccn3)CC2)C1 ZINC000071760306 136166226 /nfs/dbraw/zinc/16/62/26/136166226.db2.gz IZOJHOFKYRHDJQ-KRWDZBQOSA-N 1 1 380.496 1.869 50 0 GDAAMO Cc1ncnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)c1C ZINC000071767797 136166602 /nfs/dbraw/zinc/16/66/02/136166602.db2.gz KVJVSNVNXZSOHU-GOSISDBHSA-N 1 1 387.528 1.633 50 0 GDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000091997472 136177480 /nfs/dbraw/zinc/17/74/80/136177480.db2.gz WQZCSVSJZJSTHM-GOSISDBHSA-N 1 1 386.496 1.456 50 0 GDAAMO Nc1nc2nc[nH]c2c(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000095504055 136180092 /nfs/dbraw/zinc/18/00/92/136180092.db2.gz SFCXXOKYKZZCBS-CYBMUJFWSA-N 1 1 375.440 1.959 50 0 GDAAMO Cc1ccc(C)c(Nc2nc(N3CC[NH+](CCO)CC3)nc3nccnc32)c1 ZINC000022735946 136204586 /nfs/dbraw/zinc/20/45/86/136204586.db2.gz YVXRQOOBZZWUSY-UHFFFAOYSA-N 1 1 379.468 1.895 50 0 GDAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000022808488 136204631 /nfs/dbraw/zinc/20/46/31/136204631.db2.gz RHUXCBYLGMZVSG-UHFFFAOYSA-N 1 1 394.523 1.333 50 0 GDAAMO Cc1nnc(SCCNC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)[nH]1 ZINC000426667170 534530987 /nfs/dbraw/zinc/53/09/87/534530987.db2.gz XUWXYVUOJHQJPF-UHFFFAOYSA-N 1 1 375.502 1.831 50 0 GDAAMO CCCC[N@H+]1CCn2nc(CNS(=O)(=O)c3cc(C)nn3CC)cc2C1 ZINC000426424437 528488351 /nfs/dbraw/zinc/48/83/51/528488351.db2.gz YVTDIBAFJOCERB-UHFFFAOYSA-N 1 1 380.518 1.502 50 0 GDAAMO COCc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)ccc1OC ZINC000104486675 570259281 /nfs/dbraw/zinc/25/92/81/570259281.db2.gz HIBORTYTJITDMT-OAQYLSRUSA-N 1 1 391.556 1.804 50 0 GDAAMO COCc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)ccc1OC ZINC000104486675 570259284 /nfs/dbraw/zinc/25/92/84/570259284.db2.gz HIBORTYTJITDMT-OAQYLSRUSA-N 1 1 391.556 1.804 50 0 GDAAMO O=C(c1ccc(-n2cnnn2)cc1O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000215452672 570289070 /nfs/dbraw/zinc/28/90/70/570289070.db2.gz KMKSUSCKNCFMLI-UHFFFAOYSA-N 1 1 379.424 1.111 50 0 GDAAMO O=C(c1ccc(-n2cnnn2)cc1O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000215452672 570289071 /nfs/dbraw/zinc/28/90/71/570289071.db2.gz KMKSUSCKNCFMLI-UHFFFAOYSA-N 1 1 379.424 1.111 50 0 GDAAMO CC(C)CNC(=O)c1coc(CN2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)n1 ZINC000034677028 570293870 /nfs/dbraw/zinc/29/38/70/570293870.db2.gz JYVXQOMWDOSMAO-INIZCTEOSA-N 1 1 396.532 1.354 50 0 GDAAMO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000002953429 570319898 /nfs/dbraw/zinc/31/98/98/570319898.db2.gz YEUDEKXUSZSCFL-UHFFFAOYSA-N 1 1 393.553 1.613 50 0 GDAAMO CO[C@H]1CC[N@H+](C2CCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000575608669 570331222 /nfs/dbraw/zinc/33/12/22/570331222.db2.gz ZKIWVCOVMPFBKD-SFHVURJKSA-N 1 1 394.537 1.734 50 0 GDAAMO COc1ccc(/C=C(\C(=O)NCCC[NH+]2CCOCC2)n2ccccc2=O)cc1 ZINC000023018008 570340595 /nfs/dbraw/zinc/34/05/95/570340595.db2.gz JCMVRLRBDRSSMR-LVZFUZTISA-N 1 1 397.475 1.694 50 0 GDAAMO CC(C)(C)NC(=O)CN1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000024587820 570386610 /nfs/dbraw/zinc/38/66/10/570386610.db2.gz KDQNXURCXAFWJK-KRWDZBQOSA-N 1 1 381.492 1.236 50 0 GDAAMO CC(C)[C@H]1N(C(=O)C[NH+]2CCCC2)CCCN1S(=O)(=O)c1ccccc1 ZINC000004999084 570392402 /nfs/dbraw/zinc/39/24/02/570392402.db2.gz HCNXNCZJRUVYEB-IBGZPJMESA-N 1 1 379.526 1.988 50 0 GDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ncn1 ZINC000035598106 570400816 /nfs/dbraw/zinc/40/08/16/570400816.db2.gz YJRDIOXXCMHQTP-UHFFFAOYSA-N 1 1 398.492 1.623 50 0 GDAAMO CC1=[NH+]N(CCCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005148026 570427431 /nfs/dbraw/zinc/42/74/31/570427431.db2.gz AUNZCGMWCHYZOG-CQSZACIVSA-N 1 1 380.452 1.823 50 0 GDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000011898230 570444331 /nfs/dbraw/zinc/44/43/31/570444331.db2.gz UNHMTKUFFYSRDF-KRWDZBQOSA-N 1 1 398.463 1.688 50 0 GDAAMO COC(=O)CC[N@@H+](CC(=O)N(C)CCOc1ccccc1F)C1CCOCC1 ZINC000072305025 570515038 /nfs/dbraw/zinc/51/50/38/570515038.db2.gz LIMWTRFXLXWWHI-UHFFFAOYSA-N 1 1 396.459 1.707 50 0 GDAAMO CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697125 570529451 /nfs/dbraw/zinc/52/94/51/570529451.db2.gz YQEOEUQZDXPTKU-HXUWFJFHSA-N 1 1 389.471 1.721 50 0 GDAAMO CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000022714572 570537973 /nfs/dbraw/zinc/53/79/73/570537973.db2.gz IVNQBWLSZYOOLV-UHFFFAOYSA-N 1 1 379.464 1.936 50 0 GDAAMO Cc1cnc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)cn1 ZINC000011879963 570591020 /nfs/dbraw/zinc/59/10/20/570591020.db2.gz VLFLPRUJJCMTCP-LJQANCHMSA-N 1 1 381.480 1.225 50 0 GDAAMO Cc1cnc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)cn1 ZINC000011879963 570591023 /nfs/dbraw/zinc/59/10/23/570591023.db2.gz VLFLPRUJJCMTCP-LJQANCHMSA-N 1 1 381.480 1.225 50 0 GDAAMO CC(=O)c1ccc(OCc2cc(C(=O)NCC[N@H+]3CCC[C@H](O)C3)no2)cc1 ZINC000012442632 570665075 /nfs/dbraw/zinc/66/50/75/570665075.db2.gz UKAICGAODYDKJF-INIZCTEOSA-N 1 1 387.436 1.643 50 0 GDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCC(Oc2cccnc2)CC1 ZINC000012448469 570667841 /nfs/dbraw/zinc/66/78/41/570667841.db2.gz IXBHXYRSCHNREC-IBGZPJMESA-N 1 1 386.496 1.585 50 0 GDAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1F ZINC000244716280 570695065 /nfs/dbraw/zinc/69/50/65/570695065.db2.gz LMDNJPZWOKQZJS-FQEVSTJZSA-N 1 1 377.460 1.770 50 0 GDAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1F ZINC000244716280 570695068 /nfs/dbraw/zinc/69/50/68/570695068.db2.gz LMDNJPZWOKQZJS-FQEVSTJZSA-N 1 1 377.460 1.770 50 0 GDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)ccn1 ZINC000058192032 570717908 /nfs/dbraw/zinc/71/79/08/570717908.db2.gz VEUYWNZRSKPZKJ-UHFFFAOYSA-N 1 1 390.407 1.495 50 0 GDAAMO CC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)CC1 ZINC000004374562 570720798 /nfs/dbraw/zinc/72/07/98/570720798.db2.gz IQFDWBHZJHLKDC-CQSZACIVSA-N 1 1 376.457 1.156 50 0 GDAAMO C[NH+](C)[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccco1 ZINC000003413587 570865709 /nfs/dbraw/zinc/86/57/09/570865709.db2.gz VVWODNCKTLHGMG-IIBYNOLFSA-N 1 1 396.447 1.392 50 0 GDAAMO CN1C(=O)COc2ccc(NC(=O)NCCC[N@H+]3CCC[C@@H](CO)C3)cc21 ZINC000534651058 570914303 /nfs/dbraw/zinc/91/43/03/570914303.db2.gz KDDHKNHECOGIRX-CQSZACIVSA-N 1 1 376.457 1.258 50 0 GDAAMO O=C(N[C@@H](CO)[C@@H](O)c1ccccc1)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000534655918 570915678 /nfs/dbraw/zinc/91/56/78/570915678.db2.gz QNNZUXSHFDINBW-ROUUACIJSA-N 1 1 377.485 1.025 50 0 GDAAMO NC(=O)COc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023140435 570917451 /nfs/dbraw/zinc/91/74/51/570917451.db2.gz YZDJHZSEUGDFPQ-UHFFFAOYSA-N 1 1 382.464 1.307 50 0 GDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cn2cccn2)CC1 ZINC000012199319 570963413 /nfs/dbraw/zinc/96/34/13/570963413.db2.gz ZMBGUTPPRWWAOY-GOSISDBHSA-N 1 1 375.517 1.502 50 0 GDAAMO O=C(NCc1cnc2c(c1)CCC2)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000426490096 231229123 /nfs/dbraw/zinc/22/91/23/231229123.db2.gz LIJKJMPWKLOGCX-KRWDZBQOSA-N 1 1 377.510 1.086 50 0 GDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000019301035 210240160 /nfs/dbraw/zinc/24/01/60/210240160.db2.gz IUBBLLUWRZXLTD-UHFFFAOYSA-N 1 1 395.463 1.911 50 0 GDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1ncn2nc(-c3ccccc3)cc2c1=O ZINC000015772623 210167865 /nfs/dbraw/zinc/16/78/65/210167865.db2.gz AVRYVJRCCDNNFT-MRXNPFEDSA-N 1 1 394.479 1.549 50 0 GDAAMO Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000015734393 210166159 /nfs/dbraw/zinc/16/61/59/210166159.db2.gz MGJQSIWOWPLRBG-UHFFFAOYSA-N 1 1 397.527 1.586 50 0 GDAAMO COCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000014975971 210138622 /nfs/dbraw/zinc/13/86/22/210138622.db2.gz VWEINDCKOUOJEB-GOSISDBHSA-N 1 1 391.487 1.397 50 0 GDAAMO O=C(NCCc1nnc2n1CC[N@@H+](C/C=C/c1ccco1)CC2)[C@@H]1CCCO1 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CCC[C@@H]1C[N@H+](Cc2ccc(Sc3nncn3C)o2)C[C@H]1NS(C)(=O)=O ZINC000095524616 211270563 /nfs/dbraw/zinc/27/05/63/211270563.db2.gz LSNWBAKIEWUJLD-TZMCWYRMSA-N 1 1 399.542 1.709 50 0 GDAAMO CCC[C@@H]1C[N@@H+](Cc2ccc(Sc3nncn3C)o2)C[C@H]1NS(C)(=O)=O ZINC000095524616 211270568 /nfs/dbraw/zinc/27/05/68/211270568.db2.gz LSNWBAKIEWUJLD-TZMCWYRMSA-N 1 1 399.542 1.709 50 0 GDAAMO CN(C)c1ncc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 ZINC000095521408 211266000 /nfs/dbraw/zinc/26/60/00/211266000.db2.gz UVTGBLYSEHTTRK-UHFFFAOYSA-N 1 1 395.511 1.552 50 0 GDAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095511466 211262892 /nfs/dbraw/zinc/26/28/92/211262892.db2.gz ZCGAMZPAETYIGS-SFHVURJKSA-N 1 1 399.539 1.897 50 0 GDAAMO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095511466 211262894 /nfs/dbraw/zinc/26/28/94/211262894.db2.gz ZCGAMZPAETYIGS-SFHVURJKSA-N 1 1 399.539 1.897 50 0 GDAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 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ZINC000020535800 210345866 /nfs/dbraw/zinc/34/58/66/210345866.db2.gz STXCOPRVSRCDHL-LJQANCHMSA-N 1 1 397.479 1.828 50 0 GDAAMO Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)s1 ZINC000020540290 210345922 /nfs/dbraw/zinc/34/59/22/210345922.db2.gz KASALFWDIQJAKF-KRWDZBQOSA-N 1 1 393.553 1.676 50 0 GDAAMO COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCC[NH+]1CCOCC1 ZINC000020489544 210341067 /nfs/dbraw/zinc/34/10/67/210341067.db2.gz GKWOOKCIAXIDRD-UHFFFAOYSA-N 1 1 375.425 1.373 50 0 GDAAMO O=C1Nc2ncccc2O[C@@H]1CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020365705 210328260 /nfs/dbraw/zinc/32/82/60/210328260.db2.gz GZLRHWWXBQPKJZ-GOSISDBHSA-N 1 1 396.447 1.718 50 0 GDAAMO Cn1c(C(=O)NCCC[NH+]2CCN(C)CC2)cc2c1c1ccccc1n(C)c2=O ZINC000020286272 210325820 /nfs/dbraw/zinc/32/58/20/210325820.db2.gz GOFGFSGJNNSAHZ-UHFFFAOYSA-N 1 1 395.507 1.398 50 0 GDAAMO CC(C)OCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000019796954 210297695 /nfs/dbraw/zinc/29/76/95/210297695.db2.gz QODYMVLRZIUSCV-HOTGVXAUSA-N 1 1 375.512 1.031 50 0 GDAAMO COc1c2c(c(CNS(=O)(=O)c3ccccc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000008765385 221056706 /nfs/dbraw/zinc/05/67/06/221056706.db2.gz HIKRTXBJPVDCTB-UHFFFAOYSA-N 1 1 390.461 1.890 50 0 biogenic GDAAMO CCOC(=O)c1ccc(Nc2nc3nonc3nc2N2CC[NH+](C)CC2)cc1 ZINC000059597100 136155794 /nfs/dbraw/zinc/15/57/94/136155794.db2.gz MDKKYAUAOSOIMY-UHFFFAOYSA-N 1 1 383.412 1.685 50 0 GDAAMO CCOc1ccc(C[N@H+]2CCN(c3cc(C(N)=O)ccn3)C[C@@H]2CCO)cc1 ZINC000072473247 136171157 /nfs/dbraw/zinc/17/11/57/136171157.db2.gz DMZVPFKDMPAHBO-SFHVURJKSA-N 1 1 384.480 1.652 50 0 GDAAMO Cc1ccc(C)c(C(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)c1 ZINC000077137446 136171645 /nfs/dbraw/zinc/17/16/45/136171645.db2.gz YXUYRAMQBIJVDP-UHFFFAOYSA-N 1 1 394.523 1.808 50 0 GDAAMO Cc1nn2cccnc2c1C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000098098570 136189053 /nfs/dbraw/zinc/18/90/53/136189053.db2.gz JHVHWETZBLYMHF-INIZCTEOSA-N 1 1 378.480 1.978 50 0 GDAAMO Cn1ncc(N2CC[NH+](Cc3cccc(Oc4ncccn4)c3)CC2)cc1=O ZINC000020541403 136202778 /nfs/dbraw/zinc/20/27/78/136202778.db2.gz XVLRRJZIMRFYMR-UHFFFAOYSA-N 1 1 378.436 1.685 50 0 GDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ncn1 ZINC000067602065 222150238 /nfs/dbraw/zinc/15/02/38/222150238.db2.gz YZFARLCBEVNRBW-UHFFFAOYSA-N 1 1 384.465 1.482 50 0 GDAAMO CC(C)C[N@H+]1CCCC[C@H]1CCNC(=O)N1CCc2c(c(CO)nn2C)C1 ZINC000426435267 527968132 /nfs/dbraw/zinc/96/81/32/527968132.db2.gz CMRAODAJOZHCBM-INIZCTEOSA-N 1 1 377.533 1.881 50 0 GDAAMO CCn1c2ccccc2nc(N2CCC[C@@H](C(=O)N3CC[NH+](CC)CC3)C2)c1=O ZINC000085628153 535632741 /nfs/dbraw/zinc/63/27/41/535632741.db2.gz UJSSUGMXPKJKOE-QGZVFWFLSA-N 1 1 397.523 1.797 50 0 GDAAMO CCc1cnc(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)NCCOC)C2)CC1 ZINC000071756957 536020351 /nfs/dbraw/zinc/02/03/51/536020351.db2.gz ZLNQEGOJODCDTQ-GOSISDBHSA-N 1 1 389.544 1.791 50 0 GDAAMO COc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000104487195 570259313 /nfs/dbraw/zinc/25/93/13/570259313.db2.gz DRCBAERNUHKLBQ-GOSISDBHSA-N 1 1 391.512 1.387 50 0 GDAAMO COc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000104487195 570259315 /nfs/dbraw/zinc/25/93/15/570259315.db2.gz DRCBAERNUHKLBQ-GOSISDBHSA-N 1 1 391.512 1.387 50 0 GDAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2cnccn2)CC1 ZINC000584901629 570271041 /nfs/dbraw/zinc/27/10/41/570271041.db2.gz FZBYNLOTUDQGJP-KRWDZBQOSA-N 1 1 384.484 1.813 50 0 GDAAMO CN(CC[NH+]1CCCCC1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 ZINC000022913218 570334314 /nfs/dbraw/zinc/33/43/14/570334314.db2.gz LMHDSHVVRKOJDW-KRWDZBQOSA-N 1 1 384.546 1.383 50 0 GDAAMO CC[NH+]1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2cccc(C)c2)CC3)CC1 ZINC000034797234 570338358 /nfs/dbraw/zinc/33/83/58/570338358.db2.gz CSPPQYXWAVAYCB-UHFFFAOYSA-N 1 1 381.480 1.694 50 0 GDAAMO O=C(CCc1ccncc1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000584903976 570350607 /nfs/dbraw/zinc/35/06/07/570350607.db2.gz OAYRHNDTHKBWDJ-RUDSSYLZSA-N 1 1 376.504 1.698 50 0 GDAAMO CC(C)=CC[N@H+]1CCN(Cc2cn(CC(N)=O)c3ccccc23)C[C@@H]1CCO ZINC000023373269 570357534 /nfs/dbraw/zinc/35/75/34/570357534.db2.gz RPPNUOLAMGCJBG-IBGZPJMESA-N 1 1 384.524 1.961 50 0 GDAAMO CC(C)=CCN1CC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C[C@@H]1CCO ZINC000023373269 570357538 /nfs/dbraw/zinc/35/75/38/570357538.db2.gz RPPNUOLAMGCJBG-IBGZPJMESA-N 1 1 384.524 1.961 50 0 GDAAMO CC(C)=CCN1CC[N@@H+](Cc2cn(CC(N)=O)c3ccccc23)C[C@@H]1CCO ZINC000023373269 570357543 /nfs/dbraw/zinc/35/75/43/570357543.db2.gz RPPNUOLAMGCJBG-IBGZPJMESA-N 1 1 384.524 1.961 50 0 GDAAMO O=C(CN1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1)NC1CC1 ZINC000025300782 570410477 /nfs/dbraw/zinc/41/04/77/570410477.db2.gz UBSQFFFPCVUCQO-QGZVFWFLSA-N 1 1 381.904 1.114 50 0 GDAAMO O=C(NCc1ccc(OC(F)F)cc1)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000026308201 570424377 /nfs/dbraw/zinc/42/43/77/570424377.db2.gz KJHJYLWAHWQYTK-WBVHZDCISA-N 1 1 399.438 1.825 50 0 GDAAMO COc1ccccc1N1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000026302263 570424488 /nfs/dbraw/zinc/42/44/88/570424488.db2.gz SJXJSTRCDTZCAE-LJQANCHMSA-N 1 1 390.528 1.884 50 0 GDAAMO Cc1cnc2n(c1=O)[C@H](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)CS2 ZINC000022768842 570545824 /nfs/dbraw/zinc/54/58/24/570545824.db2.gz YBUCVGVQLOZIMG-QGZVFWFLSA-N 1 1 384.505 1.933 50 0 GDAAMO CCOC(=O)CCC(=O)N1CC[NH+]([C@H](C(=O)N(CC)CC)C2CCCC2)CC1 ZINC000036250168 570561997 /nfs/dbraw/zinc/56/19/97/570561997.db2.gz NQIMLFJECPIPRF-FQEVSTJZSA-N 1 1 395.544 1.901 50 0 GDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(Cn2cnc3ccccc3c2=O)no1 ZINC000064867937 570572456 /nfs/dbraw/zinc/57/24/56/570572456.db2.gz VDRSROJHXWVQIA-CYBMUJFWSA-N 1 1 382.424 1.042 50 0 GDAAMO Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2CCCCC2)cc1 ZINC000045966928 570649985 /nfs/dbraw/zinc/64/99/85/570649985.db2.gz VMPMMBLUWKRVCI-UHFFFAOYSA-N 1 1 386.540 1.745 50 0 GDAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1 ZINC000244719029 570695407 /nfs/dbraw/zinc/69/54/07/570695407.db2.gz LVMUTPZRGOUDTF-SOLBZPMBSA-N 1 1 386.496 1.320 50 0 GDAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1ccccc1F ZINC000012787872 570713056 /nfs/dbraw/zinc/71/30/56/570713056.db2.gz BJOQRGKGGZMTPW-CYBMUJFWSA-N 1 1 395.456 1.811 50 0 GDAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccccc1F ZINC000012787872 570713060 /nfs/dbraw/zinc/71/30/60/570713060.db2.gz BJOQRGKGGZMTPW-CYBMUJFWSA-N 1 1 395.456 1.811 50 0 GDAAMO CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2C12CC[NH+](C)CC2)C(=O)OC ZINC000036597122 570742257 /nfs/dbraw/zinc/74/22/57/570742257.db2.gz HLJJWFFNXRCPQQ-UKRRQHHQSA-N 1 1 377.489 1.486 50 0 GDAAMO Cc1nc2ccccc2c(=O)n1CC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032778917 570812094 /nfs/dbraw/zinc/81/20/94/570812094.db2.gz CMWOFXNZOSFRRD-GASCZTMLSA-N 1 1 386.496 1.709 50 0 GDAAMO Cc1nc2ccccc2c(=O)n1CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032778917 570812096 /nfs/dbraw/zinc/81/20/96/570812096.db2.gz CMWOFXNZOSFRRD-GASCZTMLSA-N 1 1 386.496 1.709 50 0 GDAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000015260017 570886373 /nfs/dbraw/zinc/88/63/73/570886373.db2.gz IDACDIMLCLJSTJ-MRXNPFEDSA-N 1 1 390.480 1.864 50 0 GDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000015260017 570886376 /nfs/dbraw/zinc/88/63/76/570886376.db2.gz IDACDIMLCLJSTJ-MRXNPFEDSA-N 1 1 390.480 1.864 50 0 GDAAMO CO[C@]12CC[N@@H+](Cc3cncn3C)[C@H]1C[C@H](NC(=O)c1cscn1)CC2 ZINC000534645902 570909957 /nfs/dbraw/zinc/90/99/57/570909957.db2.gz POXAPVABWYPTGF-RPVQJOFSSA-N 1 1 375.498 1.819 50 0 GDAAMO Cc1noc([C@@H]2CCCN2C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)n1 ZINC000534634207 570911326 /nfs/dbraw/zinc/91/13/26/570911326.db2.gz HKJCHTWZTIBBQV-INIZCTEOSA-N 1 1 376.505 1.785 50 0 GDAAMO Cc1ccccc1-c1ccc(N2CCC(C(=O)NN3CC[NH+](C)CC3)CC2)nn1 ZINC000023143329 570918758 /nfs/dbraw/zinc/91/87/58/570918758.db2.gz KDIJKHLQEHHIFI-UHFFFAOYSA-N 1 1 394.523 1.947 50 0 GDAAMO C[C@H]1CCCN(S(=O)(=O)NCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000105723370 570931660 /nfs/dbraw/zinc/93/16/60/570931660.db2.gz CCZAYZXJEGMXMS-HKUYNNGSSA-N 1 1 380.558 1.541 50 0 GDAAMO COC(=O)c1nn(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(=O)c2noc(C)c21 ZINC000252463500 570961256 /nfs/dbraw/zinc/96/12/56/570961256.db2.gz DOQLIZAGIDDFOL-HNNXBMFYSA-N 1 1 397.435 1.426 50 0 GDAAMO CCOC(=O)N1CC[NH+](C[C@@H](O)COCCOc2ccc(Cl)cc2)CC1 ZINC000023212002 570978564 /nfs/dbraw/zinc/97/85/64/570978564.db2.gz LVROHWZMDYWHTC-MRXNPFEDSA-N 1 1 386.876 1.870 50 0 GDAAMO O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NCCC[NH+]1CCOCC1 ZINC000016626531 570986878 /nfs/dbraw/zinc/98/68/78/570986878.db2.gz CHOYYIWWYUBRJU-KRWDZBQOSA-N 1 1 397.479 1.347 50 0 GDAAMO CSCCC[N@@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012149609 644234138 /nfs/dbraw/zinc/23/41/38/644234138.db2.gz GSHAHLRDLMDLRY-AWEZNQCLSA-N 1 1 375.564 1.136 50 0 GDAAMO C[NH+]1CCN([C@H]2CN(C(=O)NCc3cccc(C(F)(F)F)c3)C[C@@H]2O)CC1 ZINC000426485579 529776347 /nfs/dbraw/zinc/77/63/47/529776347.db2.gz JNFDVKFUOBONCB-HOTGVXAUSA-N 1 1 386.418 1.208 50 0 GDAAMO COc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)o1 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530617453 /nfs/dbraw/zinc/61/74/53/530617453.db2.gz NBIDNDAFCXOPEB-UHFFFAOYSA-N 1 1 385.917 1.515 50 0 GDAAMO CC[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C[C@@H]1O ZINC000095445097 530817202 /nfs/dbraw/zinc/81/72/02/530817202.db2.gz OQODGMMBLCEVRP-WFASDCNBSA-N 1 1 398.301 1.515 50 0 GDAAMO CC[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccc(Br)cc2C)C[C@@H]1O ZINC000095445097 530817204 /nfs/dbraw/zinc/81/72/04/530817204.db2.gz OQODGMMBLCEVRP-WFASDCNBSA-N 1 1 398.301 1.515 50 0 GDAAMO Cc1csc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC000243892728 531056117 /nfs/dbraw/zinc/05/61/17/531056117.db2.gz AKBOYIWNTRFTGK-HUUCEWRRSA-N 1 1 378.523 1.690 50 0 GDAAMO Cc1csc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC000243892728 531056127 /nfs/dbraw/zinc/05/61/27/531056127.db2.gz AKBOYIWNTRFTGK-HUUCEWRRSA-N 1 1 378.523 1.690 50 0 GDAAMO Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)n2)n1 ZINC000225414405 212114368 /nfs/dbraw/zinc/11/43/68/212114368.db2.gz GOISJCOEMNUZKO-QZTJIDSGSA-N 1 1 398.511 1.427 50 0 biogenic GDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000008772288 221058408 /nfs/dbraw/zinc/05/84/08/221058408.db2.gz JWVBTRCJKLVHMZ-GOSISDBHSA-N 1 1 393.553 1.996 50 0 GDAAMO C[C@@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)NCCC[NH+]1CCOCC1 ZINC000008990574 221066744 /nfs/dbraw/zinc/06/67/44/221066744.db2.gz KVNRYTYIIJKWKX-SNVBAGLBSA-N 1 1 384.893 1.325 50 0 GDAAMO CNC(=O)[C@@H]1CN(C(=O)C[N@H+](C)Cc2cccc(OC)c2)c2ccccc2O1 ZINC000009710506 221090232 /nfs/dbraw/zinc/09/02/32/221090232.db2.gz BAAMTDMARQYVRO-IBGZPJMESA-N 1 1 383.448 1.667 50 0 GDAAMO CNC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)Cc2cccc(OC)c2)c2ccccc2O1 ZINC000009710506 221090233 /nfs/dbraw/zinc/09/02/33/221090233.db2.gz BAAMTDMARQYVRO-IBGZPJMESA-N 1 1 383.448 1.667 50 0 GDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)n2nc(-c3ccccc3)cc2c1=O ZINC000009727557 221091101 /nfs/dbraw/zinc/09/11/01/221091101.db2.gz PVLOFYPEPDOMQP-KRWDZBQOSA-N 1 1 394.479 1.467 50 0 GDAAMO O=C(C[NH+]1CCC(O)CC1)NCc1cccnc1N1CCc2ccccc2C1 ZINC000011841994 221131791 /nfs/dbraw/zinc/13/17/91/221131791.db2.gz IUETUKOHBIQOIL-UHFFFAOYSA-N 1 1 380.492 1.717 50 0 GDAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[NH2+]C3CCC3)c2)CC1 ZINC000011946607 221140908 /nfs/dbraw/zinc/14/09/08/221140908.db2.gz PIFVYUDPUPCPQR-IBGZPJMESA-N 1 1 376.497 1.953 50 0 GDAAMO Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2Cc3ccccc3C2)o1 ZINC000012438736 221195911 /nfs/dbraw/zinc/19/59/11/221195911.db2.gz NUNSPVLJONSPBM-HXUWFJFHSA-N 1 1 381.476 1.904 50 0 GDAAMO Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2C2Cc3ccccc3C2)o1 ZINC000012438736 221195915 /nfs/dbraw/zinc/19/59/15/221195915.db2.gz NUNSPVLJONSPBM-HXUWFJFHSA-N 1 1 381.476 1.904 50 0 GDAAMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000014248936 221306476 /nfs/dbraw/zinc/30/64/76/221306476.db2.gz CRDZNESQLZIDLN-IBGZPJMESA-N 1 1 390.484 1.690 50 0 GDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 ZINC000014964917 221321441 /nfs/dbraw/zinc/32/14/41/221321441.db2.gz KWQGCXAFZMHCGD-UHFFFAOYSA-N 1 1 395.463 1.911 50 0 GDAAMO Cc1csc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)n1 ZINC000014978851 221324025 /nfs/dbraw/zinc/32/40/25/221324025.db2.gz IFAZBCSMGCSOLP-KRWDZBQOSA-N 1 1 386.521 1.891 50 0 GDAAMO Cc1csc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)n1 ZINC000014978851 221324028 /nfs/dbraw/zinc/32/40/28/221324028.db2.gz IFAZBCSMGCSOLP-KRWDZBQOSA-N 1 1 386.521 1.891 50 0 GDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)C1=CSCCO1 ZINC000015774172 221345029 /nfs/dbraw/zinc/34/50/29/221345029.db2.gz WOXARZOBBXKQTA-UHFFFAOYSA-N 1 1 391.493 1.682 50 0 GDAAMO COCC[N@H+]1CCc2nc3sc(SCc4ccccn4)nn3c(=O)c2C1 ZINC000015922220 221352623 /nfs/dbraw/zinc/35/26/23/221352623.db2.gz AYJMMYHRGFTNRV-UHFFFAOYSA-N 1 1 389.506 1.843 50 0 GDAAMO Cc1cc(N2CC[NH+](CCO)CC2)n2nc(Cc3ccc(Cl)cc3)nc2n1 ZINC000016527211 221364681 /nfs/dbraw/zinc/36/46/81/221364681.db2.gz IZQPUGXFIXFCEJ-UHFFFAOYSA-N 1 1 386.887 1.791 50 0 GDAAMO O=C(CCCN1C(=O)CSc2ncccc21)NCCC[NH+]1CCOCC1 ZINC000020415189 221485776 /nfs/dbraw/zinc/48/57/76/221485776.db2.gz MINIHCGWJZOKGR-UHFFFAOYSA-N 1 1 378.498 1.139 50 0 GDAAMO COc1ccc(C[N@H+](CC(=O)N2CC(=O)NC(=O)C23CCCCC3)C2CC2)cc1 ZINC000408515334 533547967 /nfs/dbraw/zinc/54/79/67/533547967.db2.gz USKPMSDDZNUZHK-UHFFFAOYSA-N 1 1 399.491 1.848 50 0 GDAAMO COc1ccc(C[N@@H+](CC(=O)N2CC(=O)NC(=O)C23CCCCC3)C2CC2)cc1 ZINC000408515334 533547970 /nfs/dbraw/zinc/54/79/70/533547970.db2.gz USKPMSDDZNUZHK-UHFFFAOYSA-N 1 1 399.491 1.848 50 0 GDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(N2CCOCC2)nc1 ZINC000040042647 132393044 /nfs/dbraw/zinc/39/30/44/132393044.db2.gz JRUQDVAELXEZFM-UHFFFAOYSA-N 1 1 388.512 1.683 50 0 GDAAMO Cc1cc(N2CCN(C[C@]3(O)CCC[NH2+]C3)CC2)nc(-c2ccccc2O)n1 ZINC000072421072 136169871 /nfs/dbraw/zinc/16/98/71/136169871.db2.gz UYCJQNMWFBODMD-NRFANRHFSA-N 1 1 383.496 1.394 50 0 GDAAMO C[C@@H]1C[N@@H+](C2CCN(c3cc(N4CCC(O)CC4)ncn3)CC2)C[C@H](C)O1 ZINC000095366002 136178306 /nfs/dbraw/zinc/17/83/06/136178306.db2.gz HLLVAISLPZAWDS-IYBDPMFKSA-N 1 1 375.517 1.516 50 0 GDAAMO Cc1cc(N2CCN(C(=O)[C@@H](C)N3CCc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC000095382835 136178706 /nfs/dbraw/zinc/17/87/06/136178706.db2.gz FFNQOBFXAIKBDP-MRXNPFEDSA-N 1 1 380.496 1.463 50 0 GDAAMO COc1cccc(C(=O)N2CCN(c3nc(N4CC[C@H](O)C4)cc[nH+]3)CC2)c1 ZINC000095378329 136178758 /nfs/dbraw/zinc/17/87/58/136178758.db2.gz JBJICWCPTNMNDO-INIZCTEOSA-N 1 1 383.452 1.019 50 0 GDAAMO CCOCCCNC(=O)C1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000032916304 221749724 /nfs/dbraw/zinc/74/97/24/221749724.db2.gz QWHSWSYQYXCDPO-UHFFFAOYSA-N 1 1 392.525 1.819 50 0 GDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)CC1 ZINC000058104452 222038849 /nfs/dbraw/zinc/03/88/49/222038849.db2.gz NTETZSYMMWJUFX-LJQANCHMSA-N 1 1 386.540 1.614 50 0 GDAAMO COc1ccc(-c2nnc(N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000065229649 222113349 /nfs/dbraw/zinc/11/33/49/222113349.db2.gz MUSDQCCHZAUJRZ-UHFFFAOYSA-N 1 1 385.468 1.736 50 0 GDAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065313948 222123586 /nfs/dbraw/zinc/12/35/86/222123586.db2.gz PBXLYTYNLNPGGV-IBGZPJMESA-N 1 1 395.507 1.282 50 0 GDAAMO [NH3+]CCn1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)nn1 ZINC000067473278 222147004 /nfs/dbraw/zinc/14/70/04/222147004.db2.gz ILCBYYAGICNSGI-UHFFFAOYSA-N 1 1 383.431 1.786 50 0 GDAAMO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[N@H+](C[C@@H]1CCOC1)CCN2C ZINC000067696705 222156645 /nfs/dbraw/zinc/15/66/45/222156645.db2.gz QIADQAZTRQDTJE-KRWDZBQOSA-N 1 1 376.501 1.550 50 0 GDAAMO COc1ccc(CC(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)cc1OC ZINC000067956480 222169201 /nfs/dbraw/zinc/16/92/01/222169201.db2.gz BPEMEMLGOIQUJV-UHFFFAOYSA-N 1 1 375.469 1.059 50 0 GDAAMO CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCN(C)CC1)N1CCCC1=O ZINC000069922207 222175170 /nfs/dbraw/zinc/17/51/70/222175170.db2.gz MLCRAAVNBSOAEJ-OAQYLSRUSA-N 1 1 386.540 1.697 50 0 GDAAMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071753101 222191030 /nfs/dbraw/zinc/19/10/30/222191030.db2.gz PSPARZJMKIJOPN-MJXNMMHHSA-N 1 1 386.402 1.751 50 0 GDAAMO CC1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1=O ZINC000071279804 222178831 /nfs/dbraw/zinc/17/88/31/222178831.db2.gz ONVHMHNBHOELQV-INIZCTEOSA-N 1 1 394.903 1.353 50 0 GDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cc(C)no3)CC2)C1 ZINC000071735761 222187470 /nfs/dbraw/zinc/18/74/70/222187470.db2.gz DQYBWVALVFQYIH-HNNXBMFYSA-N 1 1 378.473 1.062 50 0 GDAAMO Cc1nc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)c[nH]1 ZINC000071755352 222191848 /nfs/dbraw/zinc/19/18/48/222191848.db2.gz HOTNWVIZTRPQAX-SFHVURJKSA-N 1 1 388.560 1.169 50 0 GDAAMO Cc1ncc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)[nH]1 ZINC000071755352 222191852 /nfs/dbraw/zinc/19/18/52/222191852.db2.gz HOTNWVIZTRPQAX-SFHVURJKSA-N 1 1 388.560 1.169 50 0 GDAAMO Cc1ncc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)[nH]1 ZINC000071755352 222191856 /nfs/dbraw/zinc/19/18/56/222191856.db2.gz HOTNWVIZTRPQAX-SFHVURJKSA-N 1 1 388.560 1.169 50 0 GDAAMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072153165 222212156 /nfs/dbraw/zinc/21/21/56/222212156.db2.gz CQAVDDARQUNSQZ-KRWDZBQOSA-N 1 1 386.496 1.530 50 0 GDAAMO CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072434846 222261724 /nfs/dbraw/zinc/26/17/24/222261724.db2.gz APFZIFIPVAQIJF-NRFANRHFSA-N 1 1 381.524 1.824 50 0 GDAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095519749 222345456 /nfs/dbraw/zinc/34/54/56/222345456.db2.gz RHJFVFPJHCOPBZ-GOSISDBHSA-N 1 1 399.539 1.897 50 0 GDAAMO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095519749 222345460 /nfs/dbraw/zinc/34/54/60/222345460.db2.gz RHJFVFPJHCOPBZ-GOSISDBHSA-N 1 1 399.539 1.897 50 0 GDAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095519749 222345464 /nfs/dbraw/zinc/34/54/64/222345464.db2.gz RHJFVFPJHCOPBZ-GOSISDBHSA-N 1 1 399.539 1.897 50 0 GDAAMO CC(C)C[N@@H+](C)CCN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)OC1=O 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CC(=O)N(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000004318434 570367567 /nfs/dbraw/zinc/36/75/67/570367567.db2.gz HQWILJDWYZVOFB-IBGZPJMESA-N 1 1 384.480 1.626 50 0 GDAAMO COc1ccc(COC[C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)cc1OC ZINC000023717617 570369912 /nfs/dbraw/zinc/36/99/12/570369912.db2.gz PHSJEWIACPCBSB-KRWDZBQOSA-N 1 1 388.468 1.194 50 0 GDAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+][C@H]3CC[C@H](O)CC3)c2)CC1 ZINC000244811737 570433572 /nfs/dbraw/zinc/43/35/72/570433572.db2.gz SKGJIQBBSMPRRP-ACRUOGEOSA-N 1 1 391.556 1.457 50 0 GDAAMO Cc1[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)c(C)c1C ZINC000035482194 570553664 /nfs/dbraw/zinc/55/36/64/570553664.db2.gz KQAKJJYHGPFPSK-GOSISDBHSA-N 1 1 390.528 1.631 50 0 GDAAMO C[N@@H+](CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1COc2ccccc2O1 ZINC000244601856 570694224 /nfs/dbraw/zinc/69/42/24/570694224.db2.gz DSYGRZFEMGJCFS-CQSZACIVSA-N 1 1 382.420 1.957 50 0 GDAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1ccccc1F ZINC000012787878 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COCCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000095356296 571052320 /nfs/dbraw/zinc/05/23/20/571052320.db2.gz IKIUEUKKTPZULF-MRXNPFEDSA-N 1 1 383.514 1.216 50 0 GDAAMO CN(C)[C@@H](C(=O)N1CCN(CC2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000095360491 571055283 /nfs/dbraw/zinc/05/52/83/571055283.db2.gz DBFYBSBPTWRAGY-HXUWFJFHSA-N 1 1 376.520 1.914 50 0 GDAAMO CC(=O)N1CC[C@]2(O)CC[N@H+](Cc3cc(Cl)ccc3OCC(N)=O)C[C@@H]2C1 ZINC000095364626 571057291 /nfs/dbraw/zinc/05/72/91/571057291.db2.gz KEAOQRXQLRBAJT-DNVCBOLYSA-N 1 1 395.887 1.009 50 0 GDAAMO CC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cc(Cl)ccc3OCC(N)=O)C[C@@H]2C1 ZINC000095364626 571057294 /nfs/dbraw/zinc/05/72/94/571057294.db2.gz KEAOQRXQLRBAJT-DNVCBOLYSA-N 1 1 395.887 1.009 50 0 GDAAMO CC(C)Oc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000095366538 571058373 /nfs/dbraw/zinc/05/83/73/571058373.db2.gz YNAVCOZEHRRDND-RTBURBONSA-N 1 1 375.513 1.402 50 0 GDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2 ZINC000095380621 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