smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(OCCCN2CCOCC2)ccc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000217364717 206363257 /nfs/dbraw/zinc/36/32/57/206363257.db2.gz OHSFEWAYJOMLFV-NRFANRHFSA-N 1 1 373.541 2.458 50 70 FEIAMO O=C(NCCN1CCCOC1=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000218309065 206369258 /nfs/dbraw/zinc/36/92/58/206369258.db2.gz FCDYGMBTJWZDJC-KRWDZBQOSA-N 1 1 363.433 2.311 50 70 FEIAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2 ZINC000218462374 206370548 /nfs/dbraw/zinc/37/05/48/206370548.db2.gz YCLNEUWGMGCQER-CQSZACIVSA-N 1 1 354.454 2.398 50 70 FEIAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2ccnc(N)n2)CC1 ZINC000217726685 206365601 /nfs/dbraw/zinc/36/56/01/206365601.db2.gz NCMRKQHCJKIHNU-LJQANCHMSA-N 1 1 365.481 2.212 50 70 FEIAMO CC[C@H](O)c1cc2n(n1)CCCN(C(=O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000218420487 522826465 /nfs/dbraw/zinc/82/64/65/522826465.db2.gz NSLRGCSNSDZZFU-FQEVSTJZSA-N 1 1 368.481 2.117 50 70 FEIAMO CC[C@H](O)c1cc2n(n1)CCCN(C(=O)C[N@H+]1CCc3ccccc3C1)C2 ZINC000218420487 522826480 /nfs/dbraw/zinc/82/64/80/522826480.db2.gz NSLRGCSNSDZZFU-FQEVSTJZSA-N 1 1 368.481 2.117 50 70 FEIAMO C[N@H+]1CCCN(CC(=O)NCc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000218277170 523808338 /nfs/dbraw/zinc/80/83/38/523808338.db2.gz KVKPFOOSGOHKHC-UHFFFAOYSA-N 1 1 362.474 2.203 50 70 FEIAMO Cc1cccc(=O)n1CCCNC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000217883364 524156427 /nfs/dbraw/zinc/15/64/27/524156427.db2.gz AIKCEZRHBCBRPY-LJQANCHMSA-N 1 1 353.466 2.153 50 70 FEIAMO CC(C)Cc1cc(C(=O)N2CCC[N@H+](Cc3ccncc3)CC2)nc(N)n1 ZINC000217951208 519429183 /nfs/dbraw/zinc/42/91/83/519429183.db2.gz AOCWVWNWAHEIRB-UHFFFAOYSA-N 1 1 368.485 2.000 50 70 FEIAMO CC(C)Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)nc(N)n1 ZINC000217951208 519429192 /nfs/dbraw/zinc/42/91/92/519429192.db2.gz AOCWVWNWAHEIRB-UHFFFAOYSA-N 1 1 368.485 2.000 50 70 FEIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000217824974 526515592 /nfs/dbraw/zinc/51/55/92/526515592.db2.gz MNDPSUHKETTYPN-XYJFISCASA-N 1 1 359.470 2.009 50 70 FEIAMO CN1CC[N@@H+](C)C[C@@H]1CNc1cc(-c2ccccc2F)nc2ccnn21 ZINC000216846078 206361529 /nfs/dbraw/zinc/36/15/29/206361529.db2.gz FGLZCJVOPQXNSW-AWEZNQCLSA-N 1 1 354.433 2.193 50 70 FEIAMO CN1CC[N@H+](C)[C@@H](CNc2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000216846078 206361530 /nfs/dbraw/zinc/36/15/30/206361530.db2.gz FGLZCJVOPQXNSW-AWEZNQCLSA-N 1 1 354.433 2.193 50 70 FEIAMO CN1CC[N@@H+](C)[C@@H](CNc2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000216846078 206361533 /nfs/dbraw/zinc/36/15/33/206361533.db2.gz FGLZCJVOPQXNSW-AWEZNQCLSA-N 1 1 354.433 2.193 50 70 FEIAMO CN1CC[N@@H+](C)[C@@H](CC(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)C1 ZINC000217387767 523884418 /nfs/dbraw/zinc/88/44/18/523884418.db2.gz RFYOCGSBDKRRAN-FQEVSTJZSA-N 1 1 370.472 2.385 50 70 FEIAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)N(Cc1ccc(F)cc1)Cc1ccccn1 ZINC000217387767 523884427 /nfs/dbraw/zinc/88/44/27/523884427.db2.gz RFYOCGSBDKRRAN-FQEVSTJZSA-N 1 1 370.472 2.385 50 70 FEIAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)N(Cc1ccc(F)cc1)Cc1ccccn1 ZINC000217387767 523884430 /nfs/dbraw/zinc/88/44/30/523884430.db2.gz RFYOCGSBDKRRAN-FQEVSTJZSA-N 1 1 370.472 2.385 50 70 FEIAMO Nc1nnc(CCCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000218645179 206372669 /nfs/dbraw/zinc/37/26/69/206372669.db2.gz RUXTZAZXBZMBTK-OAHLLOKOSA-N 1 1 359.499 2.224 50 70 FEIAMO Cc1[nH+]ccn1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000218738196 206373722 /nfs/dbraw/zinc/37/37/22/206373722.db2.gz KYBOVDKFWCTSLS-MBOZVWFJSA-N 1 1 355.438 2.145 50 70 FEIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000217824888 526515372 /nfs/dbraw/zinc/51/53/72/526515372.db2.gz MNDPSUHKETTYPN-LZLYRXPVSA-N 1 1 359.470 2.009 50 70 FEIAMO CCc1[nH+]ccn1CCCNC(=O)c1cn(C)c2ccc(C)cc2c1=O ZINC000218725042 548690037 /nfs/dbraw/zinc/69/00/37/548690037.db2.gz AIHQNGONPQXAEJ-UHFFFAOYSA-N 1 1 352.438 2.426 50 70 FEIAMO O=C(C[N@@H+]1CCc2ccccc2C1)NCCc1noc(C2CCCC2)n1 ZINC000217661688 526813471 /nfs/dbraw/zinc/81/34/71/526813471.db2.gz RLOKEVLDDDBTIE-UHFFFAOYSA-N 1 1 354.454 2.444 50 70 FEIAMO O=C(C[N@H+]1CCc2ccccc2C1)NCCc1noc(C2CCCC2)n1 ZINC000217661688 526813473 /nfs/dbraw/zinc/81/34/73/526813473.db2.gz RLOKEVLDDDBTIE-UHFFFAOYSA-N 1 1 354.454 2.444 50 70 FEIAMO O=C(COc1ccc2c(c1)NC(=O)CC2)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217804937 548683539 /nfs/dbraw/zinc/68/35/39/548683539.db2.gz DIVIUWFPFKCEBK-QFBILLFUSA-N 1 1 371.481 2.331 50 70 FEIAMO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1c[nH]nc1C1CCCCC1)C2 ZINC000217877007 527585143 /nfs/dbraw/zinc/58/51/43/527585143.db2.gz XXPRUNDWOMLHIW-GOSISDBHSA-N 1 1 359.474 2.086 50 70 FEIAMO OC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1c[nH]nc1C1CCCCC1)C2 ZINC000217877007 527585144 /nfs/dbraw/zinc/58/51/44/527585144.db2.gz XXPRUNDWOMLHIW-GOSISDBHSA-N 1 1 359.474 2.086 50 70 FEIAMO O=C(N1CCC[C@H](c2ccncn2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000217180325 548679971 /nfs/dbraw/zinc/67/99/71/548679971.db2.gz KCHDZBVOGKTZFU-KRWDZBQOSA-N 1 1 358.486 2.218 50 70 FEIAMO CC(=O)N[C@H]1C[C@H](c2cc(N3CC[NH+](Cc4cccs4)CC3)ncn2)C1 ZINC000218746594 534671684 /nfs/dbraw/zinc/67/16/84/534671684.db2.gz ACFZHADVMSLKBJ-IYBDPMFKSA-N 1 1 371.510 2.242 50 70 FEIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000217648494 548682370 /nfs/dbraw/zinc/68/23/70/548682370.db2.gz QCVZJYLFZYHJSR-JENIJYKNSA-N 1 1 355.482 2.420 50 70 FEIAMO O=C(COCC(F)(F)C(F)F)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000218531945 526923741 /nfs/dbraw/zinc/92/37/41/526923741.db2.gz WKDVCPIRZIZGLG-UHFFFAOYSA-N 1 1 363.355 2.033 50 70 FEIAMO O=C(COCC(F)(F)C(F)F)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000218531945 526923747 /nfs/dbraw/zinc/92/37/47/526923747.db2.gz WKDVCPIRZIZGLG-UHFFFAOYSA-N 1 1 363.355 2.033 50 70 FEIAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(CC(C)C)nc(=O)[nH]2)cc1 ZINC000217073092 548679757 /nfs/dbraw/zinc/67/97/57/548679757.db2.gz QAXFHOZJTWHHMI-UHFFFAOYSA-N 1 1 365.437 2.393 50 70 FEIAMO O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217831759 526684512 /nfs/dbraw/zinc/68/45/12/526684512.db2.gz BROSYYDBLSXQBO-QFBILLFUSA-N 1 1 368.481 2.167 50 70 FEIAMO O=c1cc(CN2CCN(c3ccccc3)CC2)oc(C[NH+]2CCCC2)c1O ZINC000218153321 527478410 /nfs/dbraw/zinc/47/84/10/527478410.db2.gz SMYONMNSJOENEF-UHFFFAOYSA-N 1 1 369.465 2.263 50 70 FEIAMO C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000216999919 548680243 /nfs/dbraw/zinc/68/02/43/548680243.db2.gz BCLYSZVWSQBKBG-HNNXBMFYSA-N 1 1 354.454 2.469 50 70 FEIAMO C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000216999919 548680247 /nfs/dbraw/zinc/68/02/47/548680247.db2.gz BCLYSZVWSQBKBG-HNNXBMFYSA-N 1 1 354.454 2.469 50 70 FEIAMO Cn1cc([C@@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H]2C[C@H](O)C2)cn1 ZINC000218031007 527294581 /nfs/dbraw/zinc/29/45/81/527294581.db2.gz FOFBPZUPFAFCPN-WMQCIHAUSA-N 1 1 354.498 2.486 50 70 FEIAMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(n2cnnc2)CC1 ZINC000217209316 548679847 /nfs/dbraw/zinc/67/98/47/548679847.db2.gz GLIKBLYGYGTEGS-IBGZPJMESA-N 1 1 353.470 2.496 50 70 FEIAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(Cl)o1 ZINC000217980141 548683899 /nfs/dbraw/zinc/68/38/99/548683899.db2.gz BTTPNZSRNBTJMO-RPLTXICNSA-N 1 1 371.868 2.230 50 70 FEIAMO C[NH+](C)[C@@H](C(=O)N1CCC(c2ccnc(N)n2)CC1)c1ccc(F)cc1 ZINC000217494618 568187977 /nfs/dbraw/zinc/18/79/77/568187977.db2.gz KZJOLRRTAFWXLQ-QGZVFWFLSA-N 1 1 357.433 2.207 50 70 FEIAMO Cn1cc([C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H]2C[C@H](O)C2)cn1 ZINC000218031072 527314285 /nfs/dbraw/zinc/31/42/85/527314285.db2.gz FOFBPZUPFAFCPN-JRGCBEDISA-N 1 1 354.498 2.486 50 70 FEIAMO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)n1cnc2ccccc2c1=O ZINC000217861931 548683403 /nfs/dbraw/zinc/68/34/03/548683403.db2.gz ZUGYYDCHVLFMDE-TXPKVOOTSA-N 1 1 368.481 2.338 50 70 FEIAMO Cc1[nH+]c(N)nc(N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1Cl ZINC000218432469 548685869 /nfs/dbraw/zinc/68/58/69/548685869.db2.gz VPVULZQDUJHEIQ-ZIAGYGMSSA-N 1 1 364.833 2.161 50 70 FEIAMO CC(C)c1cc(C(=O)NCCC[NH+]2CCOCC2)n(-c2ccccc2)n1 ZINC000218387307 519832062 /nfs/dbraw/zinc/83/20/62/519832062.db2.gz GIFULUMNALVLBV-UHFFFAOYSA-N 1 1 356.470 2.448 50 70 FEIAMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccnn1C[C@H]1CCOC1 ZINC000159845620 545985185 /nfs/dbraw/zinc/98/51/85/545985185.db2.gz VAQYETOGHQTQMY-MRXNPFEDSA-N 1 1 369.469 2.099 50 70 FEIAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCCc1nnc2ccccn21 ZINC000218244668 521730000 /nfs/dbraw/zinc/73/00/00/521730000.db2.gz ZYAZKGLTAWIEOG-SFHVURJKSA-N 1 1 363.465 2.225 50 70 FEIAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCCc1nnc2ccccn21 ZINC000218244668 521730001 /nfs/dbraw/zinc/73/00/01/521730001.db2.gz ZYAZKGLTAWIEOG-SFHVURJKSA-N 1 1 363.465 2.225 50 70 FEIAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCCc1nnc2ccccn21 ZINC000218244600 521730079 /nfs/dbraw/zinc/73/00/79/521730079.db2.gz ZYAZKGLTAWIEOG-GOSISDBHSA-N 1 1 363.465 2.225 50 70 FEIAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCCc1nnc2ccccn21 ZINC000218244600 521730081 /nfs/dbraw/zinc/73/00/81/521730081.db2.gz ZYAZKGLTAWIEOG-GOSISDBHSA-N 1 1 363.465 2.225 50 70 FEIAMO CCN(Cc1ccccc1)C(=O)CC[N@@H+]1CCn2nc([C@@H](C)O)cc2C1 ZINC000217769053 521357935 /nfs/dbraw/zinc/35/79/35/521357935.db2.gz OOYBECJZRMWLFV-MRXNPFEDSA-N 1 1 356.470 2.191 50 70 FEIAMO CCN(Cc1ccccc1)C(=O)CC[N@H+]1CCn2nc([C@@H](C)O)cc2C1 ZINC000217769053 521357941 /nfs/dbraw/zinc/35/79/41/521357941.db2.gz OOYBECJZRMWLFV-MRXNPFEDSA-N 1 1 356.470 2.191 50 70 FEIAMO C[C@@H](O)c1cc2n(n1)CC[N@H+](CCC(=O)N1CCCc3ccccc31)C2 ZINC000217714852 132272243 /nfs/dbraw/zinc/27/22/43/132272243.db2.gz PEPKZUUOVRCJGY-OAHLLOKOSA-N 1 1 354.454 2.122 50 70 FEIAMO C[C@@H](O)c1cc2n(n1)CC[N@@H+](CCC(=O)N1CCCc3ccccc31)C2 ZINC000217714852 132272245 /nfs/dbraw/zinc/27/22/45/132272245.db2.gz PEPKZUUOVRCJGY-OAHLLOKOSA-N 1 1 354.454 2.122 50 70 FEIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000217648410 548682499 /nfs/dbraw/zinc/68/24/99/548682499.db2.gz QCVZJYLFZYHJSR-YQVWRLOYSA-N 1 1 355.482 2.420 50 70 FEIAMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)n1cnc2ccccc2c1=O ZINC000217862026 548683275 /nfs/dbraw/zinc/68/32/75/548683275.db2.gz ZUGYYDCHVLFMDE-JTDSTZFVSA-N 1 1 368.481 2.338 50 70 FEIAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1Cc1cc(OC)c(OC)cc1-2 ZINC000218561245 548688075 /nfs/dbraw/zinc/68/80/75/548688075.db2.gz GKOIVPDQQHRBHI-ZDUSSCGKSA-N 1 1 370.453 2.212 50 70 FEIAMO CC[N@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000218612158 206372001 /nfs/dbraw/zinc/37/20/01/206372001.db2.gz XFNZVSUFIFJVFB-AWEZNQCLSA-N 1 1 370.419 2.481 50 70 FEIAMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCNC(=O)CC1 ZINC000217417131 206363346 /nfs/dbraw/zinc/36/33/46/206363346.db2.gz JWJQHOIBDNXCAU-UHFFFAOYSA-N 1 1 363.461 2.207 50 70 FEIAMO Nc1nc(C2CC([NH3+])C2)cc(N2CCCN(Cc3cccc(F)c3)CC2)n1 ZINC000217995355 527547448 /nfs/dbraw/zinc/54/74/48/527547448.db2.gz QWANDZAZCLIUOT-UHFFFAOYSA-N 1 1 370.476 2.115 50 70 FEIAMO Cc1cc(=O)cc(C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)o1 ZINC000217542195 206363849 /nfs/dbraw/zinc/36/38/49/206363849.db2.gz SSEABPMEOVTLSW-UHFFFAOYSA-N 1 1 352.434 2.264 50 70 FEIAMO CN1CC[NH+](Cc2ccc(C(=O)NCCCc3ccncc3)cc2)CC1 ZINC000218252737 523908819 /nfs/dbraw/zinc/90/88/19/523908819.db2.gz YAFOPYVGKHFKQG-UHFFFAOYSA-N 1 1 352.482 2.192 50 70 FEIAMO Nc1nccc(C2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccco4)C3)CC2)n1 ZINC000217173848 548679926 /nfs/dbraw/zinc/67/99/26/548679926.db2.gz HUDVTSULUGDSAO-MRXNPFEDSA-N 1 1 369.469 2.270 50 70 FEIAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2 ZINC000218462469 206370082 /nfs/dbraw/zinc/37/00/82/206370082.db2.gz YCLNEUWGMGCQER-AWEZNQCLSA-N 1 1 354.454 2.398 50 70 FEIAMO Nc1nccc(C2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccco4)C3)CC2)n1 ZINC000217173855 527566692 /nfs/dbraw/zinc/56/66/92/527566692.db2.gz HUDVTSULUGDSAO-INIZCTEOSA-N 1 1 369.469 2.270 50 70 FEIAMO OC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1c[nH]nc1C1CCCCC1)C2 ZINC000217877090 527612714 /nfs/dbraw/zinc/61/27/14/527612714.db2.gz XXPRUNDWOMLHIW-SFHVURJKSA-N 1 1 359.474 2.086 50 70 FEIAMO OC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1c[nH]nc1C1CCCCC1)C2 ZINC000217877090 527612717 /nfs/dbraw/zinc/61/27/17/527612717.db2.gz XXPRUNDWOMLHIW-SFHVURJKSA-N 1 1 359.474 2.086 50 70 FEIAMO C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3ccccc3N3CCCC3)C2)CC1 ZINC000217097512 206363132 /nfs/dbraw/zinc/36/31/32/206363132.db2.gz ORQOYZQFMYFAAZ-LJQANCHMSA-N 1 1 370.541 2.386 50 70 FEIAMO Cc1oc2c(c1C(=O)N[C@H]1[C@H]3CCO[C@H]3[C@@H]1[NH+]1CCCCC1)C(=O)CCC2 ZINC000218285891 206368985 /nfs/dbraw/zinc/36/89/85/206368985.db2.gz KJCQEWVAERVEMY-ZNYHDOEXSA-N 1 1 372.465 2.479 50 70 FEIAMO CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000218420412 523011193 /nfs/dbraw/zinc/01/11/93/523011193.db2.gz NSLRGCSNSDZZFU-HXUWFJFHSA-N 1 1 368.481 2.117 50 70 FEIAMO CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)C[N@H+]1CCc3ccccc3C1)C2 ZINC000218420412 523011204 /nfs/dbraw/zinc/01/12/04/523011204.db2.gz NSLRGCSNSDZZFU-HXUWFJFHSA-N 1 1 368.481 2.117 50 70 FEIAMO C[C@H](O)c1cc2n(n1)CC[N@H+](CCC(=O)N1CCCc3ccccc31)C2 ZINC000217714940 132272416 /nfs/dbraw/zinc/27/24/16/132272416.db2.gz PEPKZUUOVRCJGY-HNNXBMFYSA-N 1 1 354.454 2.122 50 70 FEIAMO C[C@H](O)c1cc2n(n1)CC[N@@H+](CCC(=O)N1CCCc3ccccc31)C2 ZINC000217714940 132272417 /nfs/dbraw/zinc/27/24/17/132272417.db2.gz PEPKZUUOVRCJGY-HNNXBMFYSA-N 1 1 354.454 2.122 50 70 FEIAMO COC(=O)C[C@H](c1cccnc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000217695586 523340423 /nfs/dbraw/zinc/34/04/23/523340423.db2.gz JUJDHMUIOWAWKC-MRXNPFEDSA-N 1 1 372.421 2.421 50 70 FEIAMO c1cc(CN2CCC[N@H+]3CCC[C@H]3C2)cc(OCCN2CCOCC2)c1 ZINC000217106339 548680693 /nfs/dbraw/zinc/68/06/93/548680693.db2.gz MWOUMVJHZMYYDA-FQEVSTJZSA-N 1 1 359.514 2.068 50 70 FEIAMO Cc1[nH+]ccn1CCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000218738134 548690089 /nfs/dbraw/zinc/69/00/89/548690089.db2.gz KYBOVDKFWCTSLS-ZWOKBUDYSA-N 1 1 355.438 2.145 50 70 FEIAMO COc1nc(C)cc(C)c1CNC(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000218544426 548687699 /nfs/dbraw/zinc/68/76/99/548687699.db2.gz OLIZBHWRQHJMPO-SFHVURJKSA-N 1 1 371.437 2.355 50 70 FEIAMO CN1CC[N@@H+](C)[C@@H](CC(=O)N(CCCO)Cc2cccc3ccccc32)C1 ZINC000216924492 523885568 /nfs/dbraw/zinc/88/55/68/523885568.db2.gz RMNCOQLCOFNWRR-FQEVSTJZSA-N 1 1 369.509 2.187 50 70 FEIAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)N(CCCO)Cc1cccc2ccccc21 ZINC000216924492 523885571 /nfs/dbraw/zinc/88/55/71/523885571.db2.gz RMNCOQLCOFNWRR-FQEVSTJZSA-N 1 1 369.509 2.187 50 70 FEIAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)N(CCCO)Cc1cccc2ccccc21 ZINC000216924492 523885574 /nfs/dbraw/zinc/88/55/74/523885574.db2.gz RMNCOQLCOFNWRR-FQEVSTJZSA-N 1 1 369.509 2.187 50 70 FEIAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2ccnc(N)n2)CC1 ZINC000217726791 548683738 /nfs/dbraw/zinc/68/37/38/548683738.db2.gz NCMRKQHCJKIHNU-IBGZPJMESA-N 1 1 365.481 2.212 50 70 FEIAMO COc1nc(C)cc(C)c1CNC(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000218544367 548687839 /nfs/dbraw/zinc/68/78/39/548687839.db2.gz OLIZBHWRQHJMPO-GOSISDBHSA-N 1 1 371.437 2.355 50 70 FEIAMO CN1CC[NH+](Cc2ccc(C(=O)N3CC(Oc4ccccc4)C3)cc2)CC1 ZINC000218472064 523909673 /nfs/dbraw/zinc/90/96/73/523909673.db2.gz BFUPNFGDJUUEDL-UHFFFAOYSA-N 1 1 365.477 2.337 50 70 FEIAMO O=C(Cc1noc2ccccc21)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000216975208 527346418 /nfs/dbraw/zinc/34/64/18/527346418.db2.gz IOMUWQHGODGLRE-UHFFFAOYSA-N 1 1 350.422 2.500 50 70 FEIAMO O=C(Cc1noc2ccccc21)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000216975208 527346425 /nfs/dbraw/zinc/34/64/25/527346425.db2.gz IOMUWQHGODGLRE-UHFFFAOYSA-N 1 1 350.422 2.500 50 70 FEIAMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(n2cnnc2)CC1 ZINC000217209323 548680648 /nfs/dbraw/zinc/68/06/48/548680648.db2.gz GLIKBLYGYGTEGS-LJQANCHMSA-N 1 1 353.470 2.496 50 70 FEIAMO Cc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCCN(Cc3ccncc3)CC2)n1 ZINC000218574293 548687749 /nfs/dbraw/zinc/68/77/49/548687749.db2.gz DZZABCWIBZABKD-HDICACEKSA-N 1 1 352.486 2.097 50 70 FEIAMO COc1cc(Cl)cc(C[N@@H+]2CCCn3nc(CO)cc3C2)c1OC ZINC000218747329 548690590 /nfs/dbraw/zinc/69/05/90/548690590.db2.gz SMKCALDLEQYTNO-UHFFFAOYSA-N 1 1 351.834 2.452 50 70 FEIAMO COc1cc(Cl)cc(C[N@H+]2CCCn3nc(CO)cc3C2)c1OC ZINC000218747329 548690594 /nfs/dbraw/zinc/69/05/94/548690594.db2.gz SMKCALDLEQYTNO-UHFFFAOYSA-N 1 1 351.834 2.452 50 70 FEIAMO C[NH+](C)[C@H](C(=O)N1CCC(c2ccnc(N)n2)CC1)c1ccc(F)cc1 ZINC000217494682 568187973 /nfs/dbraw/zinc/18/79/73/568187973.db2.gz KZJOLRRTAFWXLQ-KRWDZBQOSA-N 1 1 357.433 2.207 50 70 FEIAMO C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000216999910 548679800 /nfs/dbraw/zinc/67/98/00/548679800.db2.gz BCLYSZVWSQBKBG-OAHLLOKOSA-N 1 1 354.454 2.469 50 70 FEIAMO C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000216999910 548679803 /nfs/dbraw/zinc/67/98/03/548679803.db2.gz BCLYSZVWSQBKBG-OAHLLOKOSA-N 1 1 354.454 2.469 50 70 FEIAMO Cc1ccc(C)c(C(=O)NC2CC[NH+](C3CCS(=O)(=O)CC3)CC2)c1 ZINC000218278983 548686681 /nfs/dbraw/zinc/68/66/81/548686681.db2.gz MTFOLGQQLJPGGQ-UHFFFAOYSA-N 1 1 364.511 2.075 50 70 FEIAMO O=C(CCN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217722630 210175644 /nfs/dbraw/zinc/17/56/44/210175644.db2.gz HJNYMOMIINEGJR-QFBILLFUSA-N 1 1 355.482 2.413 50 70 FEIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(c2ncccn2)CC1 ZINC000217718479 132374661 /nfs/dbraw/zinc/37/46/61/132374661.db2.gz VKAZICGGDJNPHG-ZWKOTPCHSA-N 1 1 357.502 2.074 50 70 FEIAMO Cc1cccc(=O)n1CCCNC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000217883451 524155892 /nfs/dbraw/zinc/15/58/92/524155892.db2.gz AIKCEZRHBCBRPY-IBGZPJMESA-N 1 1 353.466 2.153 50 70 FEIAMO CC1CCN(C(=O)COc2ccccc2CN2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000216947846 548678612 /nfs/dbraw/zinc/67/86/12/548678612.db2.gz XAYCMRRSNOURBX-SFHVURJKSA-N 1 1 359.514 2.460 50 70 FEIAMO CC[N@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000218612073 548688914 /nfs/dbraw/zinc/68/89/14/548688914.db2.gz XFNZVSUFIFJVFB-CQSZACIVSA-N 1 1 370.419 2.481 50 70 FEIAMO O=C(NCCN1CCCOC1=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000218309020 526310821 /nfs/dbraw/zinc/31/08/21/526310821.db2.gz FCDYGMBTJWZDJC-QGZVFWFLSA-N 1 1 363.433 2.311 50 70 FEIAMO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3N3CCCC3)C2)CC1 ZINC000217097491 548679947 /nfs/dbraw/zinc/67/99/47/548679947.db2.gz ORQOYZQFMYFAAZ-IBGZPJMESA-N 1 1 370.541 2.386 50 70 FEIAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1Cc1cc(OC)c(OC)cc1-2 ZINC000218561180 548687957 /nfs/dbraw/zinc/68/79/57/548687957.db2.gz GKOIVPDQQHRBHI-CYBMUJFWSA-N 1 1 370.453 2.212 50 70 FEIAMO COC(=O)C[C@@H](c1cccnc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000217695666 523280379 /nfs/dbraw/zinc/28/03/79/523280379.db2.gz JUJDHMUIOWAWKC-INIZCTEOSA-N 1 1 372.421 2.421 50 70 FEIAMO O=C(N1CCC[C@@H](c2ccncn2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000217180317 548680414 /nfs/dbraw/zinc/68/04/14/548680414.db2.gz KCHDZBVOGKTZFU-QGZVFWFLSA-N 1 1 358.486 2.218 50 70 FEIAMO Nc1nnc(CCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000218645109 548689274 /nfs/dbraw/zinc/68/92/74/548689274.db2.gz RUXTZAZXBZMBTK-HNNXBMFYSA-N 1 1 359.499 2.224 50 70 FEIAMO CCN(Cc1ccccc1)C(=O)CC[N@@H+]1CCn2nc([C@H](C)O)cc2C1 ZINC000217769142 521357273 /nfs/dbraw/zinc/35/72/73/521357273.db2.gz OOYBECJZRMWLFV-INIZCTEOSA-N 1 1 356.470 2.191 50 70 FEIAMO CCN(Cc1ccccc1)C(=O)CC[N@H+]1CCn2nc([C@H](C)O)cc2C1 ZINC000217769142 521357283 /nfs/dbraw/zinc/35/72/83/521357283.db2.gz OOYBECJZRMWLFV-INIZCTEOSA-N 1 1 356.470 2.191 50 70 FEIAMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159845485 545984942 /nfs/dbraw/zinc/98/49/42/545984942.db2.gz VAQYETOGHQTQMY-INIZCTEOSA-N 1 1 369.469 2.099 50 70 FEIAMO