smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C1(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000218765197 402296790 /nfs/dbraw/zinc/29/67/90/402296790.db2.gz OMMFKKCZXMUYGG-UHFFFAOYSA-N 2 2 311.470 2.460 20 70 DEIDLP CCC(CC)(C[NH3+])C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000161291343 402380811 /nfs/dbraw/zinc/38/08/11/402380811.db2.gz VLZGQSJJSPFZRJ-UHFFFAOYSA-N 2 2 306.454 2.193 20 70 DEIDLP CCN(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000161303876 539589864 /nfs/dbraw/zinc/58/98/64/539589864.db2.gz GRJGTTSLBBMLQL-UHFFFAOYSA-N 2 2 324.428 2.257 20 70 DEIDLP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000159498924 402324496 /nfs/dbraw/zinc/32/44/96/402324496.db2.gz MTUPDYBABQIZGJ-UONOGXRCSA-N 2 2 311.470 2.458 20 70 DEIDLP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000159498924 402324498 /nfs/dbraw/zinc/32/44/98/402324498.db2.gz MTUPDYBABQIZGJ-UONOGXRCSA-N 2 2 311.470 2.458 20 70 DEIDLP Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000160484835 402347782 /nfs/dbraw/zinc/34/77/82/402347782.db2.gz OTNRUEDIBNVWFN-BBRMVZONSA-N 2 2 322.416 2.438 20 70 DEIDLP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160564417 519903535 /nfs/dbraw/zinc/90/35/35/519903535.db2.gz RFNZBNDHBRBNBJ-RHSMWYFYSA-N 2 2 303.450 2.399 20 70 DEIDLP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000160564417 519903536 /nfs/dbraw/zinc/90/35/36/519903536.db2.gz RFNZBNDHBRBNBJ-RHSMWYFYSA-N 2 2 303.450 2.399 20 70 DEIDLP [NH3+][C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000217361599 402291901 /nfs/dbraw/zinc/29/19/01/402291901.db2.gz OQXSLSGRTZWFRD-LJQANCHMSA-N 2 2 323.440 2.073 20 70 DEIDLP COc1ccccc1C[N@H+](CCO)CCC[NH+]1CCCCC1 ZINC000161325547 402382566 /nfs/dbraw/zinc/38/25/66/402382566.db2.gz KNDJYSCHJPYDRQ-UHFFFAOYSA-N 2 2 306.450 2.366 20 70 DEIDLP COc1ccccc1C[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000161325547 402382567 /nfs/dbraw/zinc/38/25/67/402382567.db2.gz KNDJYSCHJPYDRQ-UHFFFAOYSA-N 2 2 306.450 2.366 20 70 DEIDLP C[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159807831 402330898 /nfs/dbraw/zinc/33/08/98/402330898.db2.gz JSRJNHYNNBIDJU-MDZRGWNJSA-N 2 2 301.478 2.363 20 70 DEIDLP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159807831 402330899 /nfs/dbraw/zinc/33/08/99/402330899.db2.gz JSRJNHYNNBIDJU-MDZRGWNJSA-N 2 2 301.478 2.363 20 70 DEIDLP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000159807831 402330901 /nfs/dbraw/zinc/33/09/01/402330901.db2.gz JSRJNHYNNBIDJU-MDZRGWNJSA-N 2 2 301.478 2.363 20 70 DEIDLP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000159807831 402330903 /nfs/dbraw/zinc/33/09/03/402330903.db2.gz JSRJNHYNNBIDJU-MDZRGWNJSA-N 2 2 301.478 2.363 20 70 DEIDLP C[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCCC1 ZINC000161357965 402384748 /nfs/dbraw/zinc/38/47/48/402384748.db2.gz HLLNKROKOCFZDD-JKSUJKDBSA-N 2 2 316.449 2.041 20 70 DEIDLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)nnn1-c1ccc(F)cc1 ZINC000161485839 402389479 /nfs/dbraw/zinc/38/94/79/402389479.db2.gz YGPLGUNDBHAFRF-GFCCVEGCSA-N 2 2 317.412 2.460 20 70 DEIDLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159815669 197366676 /nfs/dbraw/zinc/36/66/76/197366676.db2.gz FENATODFNFWFJN-OAHLLOKOSA-N 2 2 318.808 2.274 20 70 DEIDLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159815669 197366677 /nfs/dbraw/zinc/36/66/77/197366677.db2.gz FENATODFNFWFJN-OAHLLOKOSA-N 2 2 318.808 2.274 20 70 DEIDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000160424828 402344961 /nfs/dbraw/zinc/34/49/61/402344961.db2.gz QNYSGWRZFMWUBR-QFBILLFUSA-N 3 2 317.477 2.091 20 70 DEIDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000160424828 402344963 /nfs/dbraw/zinc/34/49/63/402344963.db2.gz QNYSGWRZFMWUBR-QFBILLFUSA-N 3 2 317.477 2.091 20 70 DEIDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000160424828 402344965 /nfs/dbraw/zinc/34/49/65/402344965.db2.gz QNYSGWRZFMWUBR-QFBILLFUSA-N 2 2 317.477 2.091 20 70 DEIDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000160424828 402344966 /nfs/dbraw/zinc/34/49/66/402344966.db2.gz QNYSGWRZFMWUBR-QFBILLFUSA-N 2 2 317.477 2.091 20 70 DEIDLP CC[NH+](CC)CCN(CCOC)Cc1c(C)[nH+]c2ccccn21 ZINC000160952566 402367198 /nfs/dbraw/zinc/36/71/98/402367198.db2.gz ZGICWZJHQGGMSY-UHFFFAOYSA-N 2 2 318.465 2.433 20 70 DEIDLP CC(=O)NC1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000161423223 519644945 /nfs/dbraw/zinc/64/49/45/519644945.db2.gz KTQBTZZEMZYJEZ-UHFFFAOYSA-N 2 2 304.438 2.311 20 70 DEIDLP c1cn(-c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cn2)c[nH+]1 ZINC000159577708 186128211 /nfs/dbraw/zinc/12/82/11/186128211.db2.gz LJVNPDJSZOVYRI-XIRDDKMYSA-N 2 2 310.401 2.315 20 70 DEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(C)C ZINC000160000578 197379175 /nfs/dbraw/zinc/37/91/75/197379175.db2.gz BNQVOGVXGHZUFE-OAHLLOKOSA-N 2 2 318.465 2.097 20 70 DEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(C)C ZINC000160000578 197379176 /nfs/dbraw/zinc/37/91/76/197379176.db2.gz BNQVOGVXGHZUFE-OAHLLOKOSA-N 2 2 318.465 2.097 20 70 DEIDLP COc1cc[nH+]c(N2CC[NH+](Cc3cnc4ccccn34)CC2)c1 ZINC000159839812 197367843 /nfs/dbraw/zinc/36/78/43/197367843.db2.gz KSWDWSYQBVCNCG-UHFFFAOYSA-N 2 2 323.400 2.060 20 70 DEIDLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161079034 402371934 /nfs/dbraw/zinc/37/19/34/402371934.db2.gz WZKAMSYOAMTFJK-CVEARBPZSA-N 2 2 318.465 2.216 20 70 DEIDLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161079034 402371936 /nfs/dbraw/zinc/37/19/36/402371936.db2.gz WZKAMSYOAMTFJK-CVEARBPZSA-N 2 2 318.465 2.216 20 70 DEIDLP Fc1ccc(CN2CCC[N@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000159709931 197361326 /nfs/dbraw/zinc/36/13/26/197361326.db2.gz KXLMNTHKXCZCBA-UHFFFAOYSA-N 2 2 302.397 2.230 20 70 DEIDLP Fc1ccc(CN2CCC[N@@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000159709931 197361328 /nfs/dbraw/zinc/36/13/28/197361328.db2.gz KXLMNTHKXCZCBA-UHFFFAOYSA-N 2 2 302.397 2.230 20 70 DEIDLP O[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000160644380 402355004 /nfs/dbraw/zinc/35/50/04/402355004.db2.gz BNPVMAGOXZQBQQ-AEFFLSMTSA-N 2 2 303.450 2.187 20 70 DEIDLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161231817 402378261 /nfs/dbraw/zinc/37/82/61/402378261.db2.gz UQDPYCRTXRBAAI-QGZVFWFLSA-N 2 2 324.428 2.152 20 70 DEIDLP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161338418 402383285 /nfs/dbraw/zinc/38/32/85/402383285.db2.gz HVBONEQDRKDARQ-OAHLLOKOSA-N 2 2 312.417 2.188 20 70 DEIDLP Cc1ccccc1[C@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000159635006 402326967 /nfs/dbraw/zinc/32/69/67/402326967.db2.gz MSUZGCBHLFYMRL-SFHVURJKSA-N 2 2 319.493 2.036 20 70 DEIDLP Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161292662 539589962 /nfs/dbraw/zinc/58/99/62/539589962.db2.gz XWWMAYAZFHXKCZ-UHFFFAOYSA-N 2 2 324.428 2.459 20 70 DEIDLP Cc1ccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000161291529 539589979 /nfs/dbraw/zinc/58/99/79/539589979.db2.gz QDRRBAFXWQJRPS-UHFFFAOYSA-N 2 2 324.428 2.459 20 70 DEIDLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159815799 197366195 /nfs/dbraw/zinc/36/61/95/197366195.db2.gz FENATODFNFWFJN-HNNXBMFYSA-N 2 2 318.808 2.274 20 70 DEIDLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159815799 197366196 /nfs/dbraw/zinc/36/61/96/197366196.db2.gz FENATODFNFWFJN-HNNXBMFYSA-N 2 2 318.808 2.274 20 70 DEIDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000160424960 402344978 /nfs/dbraw/zinc/34/49/78/402344978.db2.gz QNYSGWRZFMWUBR-APWZRJJASA-N 3 2 317.477 2.091 20 70 DEIDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000160424960 402344980 /nfs/dbraw/zinc/34/49/80/402344980.db2.gz QNYSGWRZFMWUBR-APWZRJJASA-N 3 2 317.477 2.091 20 70 DEIDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000160424960 402344982 /nfs/dbraw/zinc/34/49/82/402344982.db2.gz QNYSGWRZFMWUBR-APWZRJJASA-N 2 2 317.477 2.091 20 70 DEIDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000160424960 402344984 /nfs/dbraw/zinc/34/49/84/402344984.db2.gz QNYSGWRZFMWUBR-APWZRJJASA-N 2 2 317.477 2.091 20 70 DEIDLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161231883 402378159 /nfs/dbraw/zinc/37/81/59/402378159.db2.gz UQDPYCRTXRBAAI-KRWDZBQOSA-N 2 2 324.428 2.152 20 70 DEIDLP C[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159807953 402330844 /nfs/dbraw/zinc/33/08/44/402330844.db2.gz JSRJNHYNNBIDJU-FCEWJHQRSA-N 2 2 301.478 2.363 20 70 DEIDLP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159807953 402330846 /nfs/dbraw/zinc/33/08/46/402330846.db2.gz JSRJNHYNNBIDJU-FCEWJHQRSA-N 2 2 301.478 2.363 20 70 DEIDLP C[C@H](CN[C@H]1CC[NH+](C)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000159807953 402330847 /nfs/dbraw/zinc/33/08/47/402330847.db2.gz JSRJNHYNNBIDJU-FCEWJHQRSA-N 2 2 301.478 2.363 20 70 DEIDLP C[C@H](CN[C@H]1CC[NH+](C)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000159807953 402330849 /nfs/dbraw/zinc/33/08/49/402330849.db2.gz JSRJNHYNNBIDJU-FCEWJHQRSA-N 2 2 301.478 2.363 20 70 DEIDLP CCc1ccccc1NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161345181 539591419 /nfs/dbraw/zinc/59/14/19/539591419.db2.gz YYHOBFKWLKKHRR-UHFFFAOYSA-N 2 2 324.428 2.405 20 70 DEIDLP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000159499203 402324657 /nfs/dbraw/zinc/32/46/57/402324657.db2.gz MTUPDYBABQIZGJ-ZIAGYGMSSA-N 2 2 311.470 2.458 20 70 DEIDLP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000159499203 402324660 /nfs/dbraw/zinc/32/46/60/402324660.db2.gz MTUPDYBABQIZGJ-ZIAGYGMSSA-N 2 2 311.470 2.458 20 70 DEIDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000160424698 402344466 /nfs/dbraw/zinc/34/44/66/402344466.db2.gz QNYSGWRZFMWUBR-VQIMIIECSA-N 3 2 317.477 2.091 20 70 DEIDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000160424698 402344469 /nfs/dbraw/zinc/34/44/69/402344469.db2.gz QNYSGWRZFMWUBR-VQIMIIECSA-N 3 2 317.477 2.091 20 70 DEIDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000160424698 402344472 /nfs/dbraw/zinc/34/44/72/402344472.db2.gz QNYSGWRZFMWUBR-VQIMIIECSA-N 2 2 317.477 2.091 20 70 DEIDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000160424698 402344476 /nfs/dbraw/zinc/34/44/76/402344476.db2.gz QNYSGWRZFMWUBR-VQIMIIECSA-N 2 2 317.477 2.091 20 70 DEIDLP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161343243 402384291 /nfs/dbraw/zinc/38/42/91/402384291.db2.gz LZXVEWPTSGZSDY-OAHLLOKOSA-N 2 2 306.454 2.074 20 70 DEIDLP O[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000160484296 402347500 /nfs/dbraw/zinc/34/75/00/402347500.db2.gz LRMDNIAPSWKXNG-FUHWJXTLSA-N 2 2 303.450 2.187 20 70 DEIDLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C)CC2)nnn1-c1ccc(F)cc1 ZINC000161485958 402389276 /nfs/dbraw/zinc/38/92/76/402389276.db2.gz YGPLGUNDBHAFRF-LBPRGKRZSA-N 2 2 317.412 2.460 20 70 DEIDLP CC(=O)NC1CCC([NH2+]CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000161347482 519645476 /nfs/dbraw/zinc/64/54/76/519645476.db2.gz SDBXFZDLJUSCJY-UHFFFAOYSA-N 2 2 303.450 2.155 20 70 DEIDLP CC(=O)NC1CCC([NH2+]CC[N@H+](C)Cc2ccccc2)CC1 ZINC000161347482 519645479 /nfs/dbraw/zinc/64/54/79/519645479.db2.gz SDBXFZDLJUSCJY-UHFFFAOYSA-N 2 2 303.450 2.155 20 70 DEIDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnccn1 ZINC000160460684 525463515 /nfs/dbraw/zinc/46/35/15/525463515.db2.gz IPLQEHKZIHFXJI-HNNXBMFYSA-N 2 2 312.417 2.160 20 70 DEIDLP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160225905 197393949 /nfs/dbraw/zinc/39/39/49/197393949.db2.gz MXVHKLSKNFDVLP-GJZGRUSLSA-N 2 2 306.454 2.072 20 70 DEIDLP COC(=O)C1([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)CCCC1 ZINC000159497531 197357950 /nfs/dbraw/zinc/35/79/50/197357950.db2.gz UFYCQSOXBKHLOE-UHFFFAOYSA-N 2 2 314.389 2.185 20 70 DEIDLP COC(=O)C1([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)CCCC1 ZINC000159497531 197357952 /nfs/dbraw/zinc/35/79/52/197357952.db2.gz UFYCQSOXBKHLOE-UHFFFAOYSA-N 2 2 314.389 2.185 20 70 DEIDLP Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000160485086 402347553 /nfs/dbraw/zinc/34/75/53/402347553.db2.gz OTNRUEDIBNVWFN-CJNGLKHVSA-N 2 2 322.416 2.438 20 70 DEIDLP C[NH+]1CCC([NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000161416141 402386192 /nfs/dbraw/zinc/38/61/92/402386192.db2.gz DAXOWXINKXJTOW-UHFFFAOYSA-N 3 2 305.441 2.474 20 70 DEIDLP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160225773 402338952 /nfs/dbraw/zinc/33/89/52/402338952.db2.gz MXVHKLSKNFDVLP-CABCVRRESA-N 2 2 306.454 2.072 20 70 DEIDLP Cc1ccc(C)c(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159379909 402322902 /nfs/dbraw/zinc/32/29/02/402322902.db2.gz WXVUJSZHDQEEDR-GOSISDBHSA-N 2 2 315.461 2.218 20 70 DEIDLP Cc1ccc(C)c(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159379909 402322905 /nfs/dbraw/zinc/32/29/05/402322905.db2.gz WXVUJSZHDQEEDR-GOSISDBHSA-N 2 2 315.461 2.218 20 70 DEIDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940801 402366395 /nfs/dbraw/zinc/36/63/95/402366395.db2.gz RVVLLKFOQNRURP-JKIFEVAISA-N 2 2 324.490 2.050 20 70 DEIDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940801 402366398 /nfs/dbraw/zinc/36/63/98/402366398.db2.gz RVVLLKFOQNRURP-JKIFEVAISA-N 2 2 324.490 2.050 20 70 DEIDLP COC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000161312336 355968947 /nfs/dbraw/zinc/96/89/47/355968947.db2.gz OLYKRLPWDVYHAK-UHFFFAOYSA-N 2 2 315.373 2.092 20 70 DEIDLP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000160310582 197398887 /nfs/dbraw/zinc/39/88/87/197398887.db2.gz ANIWSRWHIZGXFR-IIDMSEBBSA-N 2 2 318.465 2.072 20 70 DEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(C)C ZINC000160000519 197378986 /nfs/dbraw/zinc/37/89/86/197378986.db2.gz BNQVOGVXGHZUFE-HNNXBMFYSA-N 2 2 318.465 2.097 20 70 DEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(C)C ZINC000160000519 197378988 /nfs/dbraw/zinc/37/89/88/197378988.db2.gz BNQVOGVXGHZUFE-HNNXBMFYSA-N 2 2 318.465 2.097 20 70 DEIDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]1C(N)=O ZINC000160346235 402341597 /nfs/dbraw/zinc/34/15/97/402341597.db2.gz SSTJEBHYGFHVGU-INIZCTEOSA-N 2 2 303.450 2.094 20 70 DEIDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H]1C(N)=O ZINC000160346235 402341600 /nfs/dbraw/zinc/34/16/00/402341600.db2.gz SSTJEBHYGFHVGU-INIZCTEOSA-N 2 2 303.450 2.094 20 70 DEIDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000160346235 402341602 /nfs/dbraw/zinc/34/16/02/402341602.db2.gz SSTJEBHYGFHVGU-INIZCTEOSA-N 2 2 303.450 2.094 20 70 DEIDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]1C(N)=O ZINC000160346235 402341604 /nfs/dbraw/zinc/34/16/04/402341604.db2.gz SSTJEBHYGFHVGU-INIZCTEOSA-N 2 2 303.450 2.094 20 70 DEIDLP C[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCCC1 ZINC000161358069 402384529 /nfs/dbraw/zinc/38/45/29/402384529.db2.gz HLLNKROKOCFZDD-HZPDHXFCSA-N 2 2 316.449 2.041 20 70 DEIDLP c1cn(CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c[nH+]1 ZINC000159793493 402330940 /nfs/dbraw/zinc/33/09/40/402330940.db2.gz VHEJBQAULCICGG-UHFFFAOYSA-N 2 2 324.388 2.208 20 70 DEIDLP c1cn(CC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c[nH+]1 ZINC000159740714 186138637 /nfs/dbraw/zinc/13/86/37/186138637.db2.gz XEYMFVFLTCEIED-HNNXBMFYSA-N 2 2 314.437 2.081 20 70 DEIDLP c1cn(CC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c[nH+]1 ZINC000159740714 186138638 /nfs/dbraw/zinc/13/86/38/186138638.db2.gz XEYMFVFLTCEIED-HNNXBMFYSA-N 2 2 314.437 2.081 20 70 DEIDLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000160484681 402347321 /nfs/dbraw/zinc/34/73/21/402347321.db2.gz OTNRUEDIBNVWFN-XJKSGUPXSA-N 2 2 322.416 2.438 20 70 DEIDLP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159790074 518834883 /nfs/dbraw/zinc/83/48/83/518834883.db2.gz QMXKGHPVTKAPDW-CQSZACIVSA-N 2 2 308.426 2.262 20 70 DEIDLP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000159790074 518834884 /nfs/dbraw/zinc/83/48/84/518834884.db2.gz QMXKGHPVTKAPDW-CQSZACIVSA-N 2 2 308.426 2.262 20 70 DEIDLP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000160310834 197399890 /nfs/dbraw/zinc/39/98/90/197399890.db2.gz ANIWSRWHIZGXFR-RKVPGOIHSA-N 2 2 318.465 2.072 20 70 DEIDLP C[NH+](C)C1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC000218761924 402296686 /nfs/dbraw/zinc/29/66/86/402296686.db2.gz UJVBXJPZPAQMGZ-CQSZACIVSA-N 2 2 311.470 2.460 20 70 DEIDLP C[C@@H](c1ccccc1F)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159364718 287150998 /nfs/dbraw/zinc/15/09/98/287150998.db2.gz MOKTWHRIDXRAAF-SUMWQHHRSA-N 2 2 319.424 2.301 20 70 DEIDLP C[C@@H](c1ccccc1F)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159364718 287150999 /nfs/dbraw/zinc/15/09/99/287150999.db2.gz MOKTWHRIDXRAAF-SUMWQHHRSA-N 2 2 319.424 2.301 20 70 DEIDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000160463427 525537662 /nfs/dbraw/zinc/53/76/62/525537662.db2.gz AAGCKXDZLYMVQY-OAHLLOKOSA-N 2 2 314.433 2.103 20 70 DEIDLP O[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000160484154 291666907 /nfs/dbraw/zinc/66/69/07/291666907.db2.gz LRMDNIAPSWKXNG-AEFFLSMTSA-N 2 2 303.450 2.187 20 70 DEIDLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000161385155 402385948 /nfs/dbraw/zinc/38/59/48/402385948.db2.gz BYCQJWFWXGQLIW-INIZCTEOSA-N 2 2 323.868 2.324 20 70 DEIDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000159386486 402322915 /nfs/dbraw/zinc/32/29/15/402322915.db2.gz JMTKBPNWSLMFDX-INIZCTEOSA-N 2 2 321.852 2.254 20 70 DEIDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000159386486 402322917 /nfs/dbraw/zinc/32/29/17/402322917.db2.gz JMTKBPNWSLMFDX-INIZCTEOSA-N 2 2 321.852 2.254 20 70 DEIDLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(C)c1 ZINC000160599430 402353223 /nfs/dbraw/zinc/35/32/23/402353223.db2.gz AFKJMGBBWMWTSC-HNNXBMFYSA-N 2 2 314.433 2.103 20 70 DEIDLP C[N@H+](CCCn1cc[nH+]c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161210234 402377877 /nfs/dbraw/zinc/37/78/77/402377877.db2.gz HBUSQMAOXVBCDB-UHFFFAOYSA-N 2 2 320.481 2.490 20 70 DEIDLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161210234 402377881 /nfs/dbraw/zinc/37/78/81/402377881.db2.gz HBUSQMAOXVBCDB-UHFFFAOYSA-N 2 2 320.481 2.490 20 70 DEIDLP C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCCC1 ZINC000161358197 402384428 /nfs/dbraw/zinc/38/44/28/402384428.db2.gz HLLNKROKOCFZDD-HOTGVXAUSA-N 2 2 316.449 2.041 20 70 DEIDLP CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000161385284 402385991 /nfs/dbraw/zinc/38/59/91/402385991.db2.gz BYCQJWFWXGQLIW-MRXNPFEDSA-N 2 2 323.868 2.324 20 70 DEIDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940666 402366370 /nfs/dbraw/zinc/36/63/70/402366370.db2.gz RVVLLKFOQNRURP-CKEIUWERSA-N 2 2 324.490 2.050 20 70 DEIDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940666 402366374 /nfs/dbraw/zinc/36/63/74/402366374.db2.gz RVVLLKFOQNRURP-CKEIUWERSA-N 2 2 324.490 2.050 20 70 DEIDLP C[N@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCSC1 ZINC000159654929 402327450 /nfs/dbraw/zinc/32/74/50/402327450.db2.gz PXMGQTPPJFKQGZ-OAHLLOKOSA-N 2 2 316.430 2.248 20 70 DEIDLP C[N@@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCSC1 ZINC000159654929 402327451 /nfs/dbraw/zinc/32/74/51/402327451.db2.gz PXMGQTPPJFKQGZ-OAHLLOKOSA-N 2 2 316.430 2.248 20 70 DEIDLP Cc1ccc(C(=O)CC[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000160921970 526045375 /nfs/dbraw/zinc/04/53/75/526045375.db2.gz GTFBKWCGAZJFLZ-UHFFFAOYSA-N 2 2 312.417 2.124 20 70 DEIDLP Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161297227 539590658 /nfs/dbraw/zinc/59/06/58/539590658.db2.gz UZSIHZXNLJVKIY-UHFFFAOYSA-N 2 2 324.428 2.459 20 70 DEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)OC ZINC000160003784 197379682 /nfs/dbraw/zinc/37/96/82/197379682.db2.gz JHFQMZUZDHQTCH-AWEZNQCLSA-N 2 2 305.422 2.181 20 70 DEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)OC ZINC000160003784 197379684 /nfs/dbraw/zinc/37/96/84/197379684.db2.gz JHFQMZUZDHQTCH-AWEZNQCLSA-N 2 2 305.422 2.181 20 70 DEIDLP Cc1nc(CN2CC[NH+](CCC[NH+]3CCCCC3)CC2)cs1 ZINC000160426217 402345525 /nfs/dbraw/zinc/34/55/25/402345525.db2.gz AHYLLRQRKCMXMA-UHFFFAOYSA-N 2 2 322.522 2.445 20 70 DEIDLP Cc1cccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000161291265 539590427 /nfs/dbraw/zinc/59/04/27/539590427.db2.gz ONNTZSJZRIADMS-UHFFFAOYSA-N 2 2 324.428 2.459 20 70 DEIDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000159386347 402322666 /nfs/dbraw/zinc/32/26/66/402322666.db2.gz JMTKBPNWSLMFDX-MRXNPFEDSA-N 2 2 321.852 2.254 20 70 DEIDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000159386347 402322667 /nfs/dbraw/zinc/32/26/67/402322667.db2.gz JMTKBPNWSLMFDX-MRXNPFEDSA-N 2 2 321.852 2.254 20 70 DEIDLP [NH3+][C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000217361676 402291724 /nfs/dbraw/zinc/29/17/24/402291724.db2.gz OQXSLSGRTZWFRD-IBGZPJMESA-N 2 2 323.440 2.073 20 70 DEIDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161351304 402383922 /nfs/dbraw/zinc/38/39/22/402383922.db2.gz XHHYUOUQDRKXMD-OAHLLOKOSA-N 2 2 311.470 2.461 20 70 DEIDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161351304 402383926 /nfs/dbraw/zinc/38/39/26/402383926.db2.gz XHHYUOUQDRKXMD-OAHLLOKOSA-N 2 2 311.470 2.461 20 70 DEIDLP Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161298013 539590444 /nfs/dbraw/zinc/59/04/44/539590444.db2.gz YCWCUBLDJVBLLQ-UHFFFAOYSA-N 2 2 324.428 2.459 20 70 DEIDLP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161338524 521813365 /nfs/dbraw/zinc/81/33/65/521813365.db2.gz HVBONEQDRKDARQ-HNNXBMFYSA-N 2 2 312.417 2.188 20 70 DEIDLP c1cn(-c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCC4)cn2)c[nH+]1 ZINC000159577939 186128208 /nfs/dbraw/zinc/12/82/08/186128208.db2.gz LJVNPDJSZOVYRI-PVAVHDDUSA-N 2 2 310.401 2.315 20 70 DEIDLP c1cn(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cn2)c[nH+]1 ZINC000159577823 186128332 /nfs/dbraw/zinc/12/83/32/186128332.db2.gz LJVNPDJSZOVYRI-OIISXLGYSA-N 2 2 310.401 2.315 20 70 DEIDLP c1cn(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c[nH+]1 ZINC000159740862 186138366 /nfs/dbraw/zinc/13/83/66/186138366.db2.gz XEYMFVFLTCEIED-OAHLLOKOSA-N 2 2 314.437 2.081 20 70 DEIDLP c1cn(CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c[nH+]1 ZINC000159740862 186138367 /nfs/dbraw/zinc/13/83/67/186138367.db2.gz XEYMFVFLTCEIED-OAHLLOKOSA-N 2 2 314.437 2.081 20 70 DEIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)OC ZINC000160003935 197379771 /nfs/dbraw/zinc/37/97/71/197379771.db2.gz JHFQMZUZDHQTCH-CQSZACIVSA-N 2 2 305.422 2.181 20 70 DEIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)OC ZINC000160003935 197379773 /nfs/dbraw/zinc/37/97/73/197379773.db2.gz JHFQMZUZDHQTCH-CQSZACIVSA-N 2 2 305.422 2.181 20 70 DEIDLP O[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000160644519 402354922 /nfs/dbraw/zinc/35/49/22/402354922.db2.gz BNPVMAGOXZQBQQ-FUHWJXTLSA-N 2 2 303.450 2.187 20 70 DEIDLP C[N@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCSC1 ZINC000159655084 402327591 /nfs/dbraw/zinc/32/75/91/402327591.db2.gz PXMGQTPPJFKQGZ-HNNXBMFYSA-N 2 2 316.430 2.248 20 70 DEIDLP C[N@@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCSC1 ZINC000159655084 402327594 /nfs/dbraw/zinc/32/75/94/402327594.db2.gz PXMGQTPPJFKQGZ-HNNXBMFYSA-N 2 2 316.430 2.248 20 70 DEIDLP Cc1ccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000161298446 539590625 /nfs/dbraw/zinc/59/06/25/539590625.db2.gz FKQDGOAOFIDDDI-UHFFFAOYSA-N 2 2 324.428 2.459 20 70 DEIDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000160425069 402344533 /nfs/dbraw/zinc/34/45/33/402344533.db2.gz QNYSGWRZFMWUBR-LPHOPBHVSA-N 3 2 317.477 2.091 20 70 DEIDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000160425069 402344539 /nfs/dbraw/zinc/34/45/39/402344539.db2.gz QNYSGWRZFMWUBR-LPHOPBHVSA-N 3 2 317.477 2.091 20 70 DEIDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000160425069 402344542 /nfs/dbraw/zinc/34/45/42/402344542.db2.gz QNYSGWRZFMWUBR-LPHOPBHVSA-N 2 2 317.477 2.091 20 70 DEIDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000160425069 402344546 /nfs/dbraw/zinc/34/45/46/402344546.db2.gz QNYSGWRZFMWUBR-LPHOPBHVSA-N 2 2 317.477 2.091 20 70 DEIDLP CN(CC1CC[NH+](CCn2cc[nH+]c2)CC1)C(=O)OC(C)(C)C ZINC000159810580 291659587 /nfs/dbraw/zinc/65/95/87/291659587.db2.gz RCDTVIODHAOBAU-UHFFFAOYSA-N 2 2 322.453 2.462 20 70 DEIDLP CCN(CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000159499335 402324879 /nfs/dbraw/zinc/32/48/79/402324879.db2.gz MTUPDYBABQIZGJ-KGLIPLIRSA-N 2 2 311.470 2.458 20 70 DEIDLP CCN(CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000159499335 402324880 /nfs/dbraw/zinc/32/48/80/402324880.db2.gz MTUPDYBABQIZGJ-KGLIPLIRSA-N 2 2 311.470 2.458 20 70 DEIDLP C[NH+](C)C1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC000218761972 402296499 /nfs/dbraw/zinc/29/64/99/402296499.db2.gz UJVBXJPZPAQMGZ-AWEZNQCLSA-N 2 2 311.470 2.460 20 70 DEIDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159899378 402333035 /nfs/dbraw/zinc/33/30/35/402333035.db2.gz JDYZEVXACXAVKU-GASCZTMLSA-N 2 2 310.401 2.147 20 70 DEIDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000160463289 525461699 /nfs/dbraw/zinc/46/16/99/525461699.db2.gz AAGCKXDZLYMVQY-HNNXBMFYSA-N 2 2 314.433 2.103 20 70 DEIDLP O=C(Oc1ccccc1)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000159823860 526445803 /nfs/dbraw/zinc/44/58/03/526445803.db2.gz OZIDNVALBUDHDH-UHFFFAOYSA-N 2 2 314.389 2.090 20 70 DEIDLP O=C(Oc1ccccc1)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000159823860 526445807 /nfs/dbraw/zinc/44/58/07/526445807.db2.gz OZIDNVALBUDHDH-UHFFFAOYSA-N 2 2 314.389 2.090 20 70 DEIDLP CC[NH+](CC)CCN(CCOC)Cc1c[nH+]c2ccccn12 ZINC000160952440 402367310 /nfs/dbraw/zinc/36/73/10/402367310.db2.gz OUXQRLSIDADODB-UHFFFAOYSA-N 2 2 304.438 2.125 20 70 DEIDLP CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000161388987 539591385 /nfs/dbraw/zinc/59/13/85/539591385.db2.gz UGAGQYSLTMSZCO-INIZCTEOSA-N 2 2 318.465 2.238 20 70 DEIDLP CCC([NH3+])(CC)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000160548435 402350843 /nfs/dbraw/zinc/35/08/43/402350843.db2.gz QRAYFHPEOKRBJX-UHFFFAOYSA-N 2 2 300.406 2.179 20 70 DEIDLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159789967 518832526 /nfs/dbraw/zinc/83/25/26/518832526.db2.gz QMXKGHPVTKAPDW-AWEZNQCLSA-N 2 2 308.426 2.262 20 70 DEIDLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000159789967 518832531 /nfs/dbraw/zinc/83/25/31/518832531.db2.gz QMXKGHPVTKAPDW-AWEZNQCLSA-N 2 2 308.426 2.262 20 70 DEIDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1C(N)=O ZINC000160346107 402341414 /nfs/dbraw/zinc/34/14/14/402341414.db2.gz SSTJEBHYGFHVGU-MRXNPFEDSA-N 2 2 303.450 2.094 20 70 DEIDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1C(N)=O ZINC000160346107 402341417 /nfs/dbraw/zinc/34/14/17/402341417.db2.gz SSTJEBHYGFHVGU-MRXNPFEDSA-N 2 2 303.450 2.094 20 70 DEIDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000160346107 402341420 /nfs/dbraw/zinc/34/14/20/402341420.db2.gz SSTJEBHYGFHVGU-MRXNPFEDSA-N 2 2 303.450 2.094 20 70 DEIDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000160346107 402341422 /nfs/dbraw/zinc/34/14/22/402341422.db2.gz SSTJEBHYGFHVGU-MRXNPFEDSA-N 2 2 303.450 2.094 20 70 DEIDLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(C)c1 ZINC000160599554 402353197 /nfs/dbraw/zinc/35/31/97/402353197.db2.gz AFKJMGBBWMWTSC-OAHLLOKOSA-N 2 2 314.433 2.103 20 70 DEIDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940542 402366382 /nfs/dbraw/zinc/36/63/82/402366382.db2.gz RVVLLKFOQNRURP-KEYYUXOJSA-N 2 2 324.490 2.050 20 70 DEIDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940542 402366385 /nfs/dbraw/zinc/36/63/85/402366385.db2.gz RVVLLKFOQNRURP-KEYYUXOJSA-N 2 2 324.490 2.050 20 70 DEIDLP CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000161392814 402385892 /nfs/dbraw/zinc/38/58/92/402385892.db2.gz DZXSNTNWTKDBQY-YOEHRIQHSA-N 2 2 312.417 2.331 20 70 DEIDLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160410296 527605115 /nfs/dbraw/zinc/60/51/15/527605115.db2.gz OHEPKZSQWQEHBK-DQCUJPBYSA-N 2 2 322.412 2.238 20 70 DEIDLP CC[NH2+]CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000161127630 402373878 /nfs/dbraw/zinc/37/38/78/402373878.db2.gz SZXQIXUCMATOJW-UHFFFAOYSA-N 2 2 312.417 2.334 20 70 DEIDLP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160564551 519903105 /nfs/dbraw/zinc/90/31/05/519903105.db2.gz RFNZBNDHBRBNBJ-PBHICJAKSA-N 2 2 303.450 2.399 20 70 DEIDLP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000160564551 519903109 /nfs/dbraw/zinc/90/31/09/519903109.db2.gz RFNZBNDHBRBNBJ-PBHICJAKSA-N 2 2 303.450 2.399 20 70 DEIDLP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)S(C)(=O)=O ZINC000159813931 539584374 /nfs/dbraw/zinc/58/43/74/539584374.db2.gz KRZVIGPRQVBTDI-UHFFFAOYSA-N 2 2 316.511 2.196 20 70 DEIDLP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160225481 197393968 /nfs/dbraw/zinc/39/39/68/197393968.db2.gz MXVHKLSKNFDVLP-HUUCEWRRSA-N 2 2 306.454 2.072 20 70 DEIDLP C[C@H](c1ccccc1F)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159364860 290265168 /nfs/dbraw/zinc/26/51/68/290265168.db2.gz MOKTWHRIDXRAAF-CXAGYDPISA-N 2 2 319.424 2.301 20 70 DEIDLP C[C@H](c1ccccc1F)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159364860 290265174 /nfs/dbraw/zinc/26/51/74/290265174.db2.gz MOKTWHRIDXRAAF-CXAGYDPISA-N 2 2 319.424 2.301 20 70 DEIDLP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161343374 402384194 /nfs/dbraw/zinc/38/41/94/402384194.db2.gz LZXVEWPTSGZSDY-HNNXBMFYSA-N 2 2 306.454 2.074 20 70 DEIDLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000161388860 539591407 /nfs/dbraw/zinc/59/14/07/539591407.db2.gz UGAGQYSLTMSZCO-MRXNPFEDSA-N 2 2 318.465 2.238 20 70 DEIDLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161351413 402384034 /nfs/dbraw/zinc/38/40/34/402384034.db2.gz XHHYUOUQDRKXMD-HNNXBMFYSA-N 2 2 311.470 2.461 20 70 DEIDLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161351413 402384037 /nfs/dbraw/zinc/38/40/37/402384037.db2.gz XHHYUOUQDRKXMD-HNNXBMFYSA-N 2 2 311.470 2.461 20 70 DEIDLP CC(C)NC(=O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000160931351 519708148 /nfs/dbraw/zinc/70/81/48/519708148.db2.gz DWRQBDSHIFQCOD-UHFFFAOYSA-N 2 2 323.868 2.419 20 70 DEIDLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159800785 526657089 /nfs/dbraw/zinc/65/70/89/526657089.db2.gz HEQSUBKVQUWDLM-UHFFFAOYSA-N 2 2 324.428 2.477 20 70 DEIDLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000160650214 355965519 /nfs/dbraw/zinc/96/55/19/355965519.db2.gz SODJZQUEMYJXFY-LSDHHAIUSA-N 2 2 317.437 2.131 20 70 DEIDLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000160650214 355965526 /nfs/dbraw/zinc/96/55/26/355965526.db2.gz SODJZQUEMYJXFY-LSDHHAIUSA-N 2 2 317.437 2.131 20 70 DEIDLP Cc1cccc([C@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159392998 402322729 /nfs/dbraw/zinc/32/27/29/402322729.db2.gz FCBVMOPBTQLDLC-MAUKXSAKSA-N 2 2 315.461 2.470 20 70 DEIDLP Cc1cccc([C@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159392998 402322733 /nfs/dbraw/zinc/32/27/33/402322733.db2.gz FCBVMOPBTQLDLC-MAUKXSAKSA-N 2 2 315.461 2.470 20 70 DEIDLP c1c(CC[NH2+]C2CCC3(CC2)OCCO3)[nH+]c2ccccn12 ZINC000161021977 402369251 /nfs/dbraw/zinc/36/92/51/402369251.db2.gz DRZMIFNSNOCWNY-UHFFFAOYSA-N 2 2 301.390 2.152 20 70 DEIDLP C[N@H+](CC[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000161347626 402383969 /nfs/dbraw/zinc/38/39/69/402383969.db2.gz YVEUKMKRPXFRBF-UHFFFAOYSA-N 2 2 304.434 2.394 20 70 DEIDLP C[N@@H+](CC[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000161347626 402383971 /nfs/dbraw/zinc/38/39/71/402383971.db2.gz YVEUKMKRPXFRBF-UHFFFAOYSA-N 2 2 304.434 2.394 20 70 DEIDLP CCC(CC)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000160563587 355965300 /nfs/dbraw/zinc/96/53/00/355965300.db2.gz SRRYBEWMSSWVJP-UHFFFAOYSA-N 2 2 312.502 2.090 20 70 DEIDLP CCC(CC)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000160563587 355965306 /nfs/dbraw/zinc/96/53/06/355965306.db2.gz SRRYBEWMSSWVJP-UHFFFAOYSA-N 2 2 312.502 2.090 20 70 DEIDLP Cc1ccc(C)c(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159380037 402322822 /nfs/dbraw/zinc/32/28/22/402322822.db2.gz WXVUJSZHDQEEDR-SFHVURJKSA-N 2 2 315.461 2.218 20 70 DEIDLP Cc1ccc(C)c(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159380037 402322825 /nfs/dbraw/zinc/32/28/25/402322825.db2.gz WXVUJSZHDQEEDR-SFHVURJKSA-N 2 2 315.461 2.218 20 70 DEIDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000161392666 402385870 /nfs/dbraw/zinc/38/58/70/402385870.db2.gz DZXSNTNWTKDBQY-PBHICJAKSA-N 2 2 312.417 2.331 20 70 DEIDLP CCc1ccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161290235 539590560 /nfs/dbraw/zinc/59/05/60/539590560.db2.gz YZQJMUIGEGBAGX-UHFFFAOYSA-N 2 2 324.428 2.405 20 70 DEIDLP c1cn(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cn2)c[nH+]1 ZINC000159577572 186128591 /nfs/dbraw/zinc/12/85/91/186128591.db2.gz LJVNPDJSZOVYRI-UAGQMJEPSA-N 2 2 310.401 2.315 20 70 DEIDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nc(N(C)C)cc[nH+]1 ZINC000160240398 197395274 /nfs/dbraw/zinc/39/52/74/197395274.db2.gz APYOWPDVENAVRL-HOCLYGCPSA-N 2 2 311.433 2.475 20 70 DEIDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc(N(C)C)cc[nH+]1 ZINC000160240398 197395275 /nfs/dbraw/zinc/39/52/75/197395275.db2.gz APYOWPDVENAVRL-HOCLYGCPSA-N 2 2 311.433 2.475 20 70 DEIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000161167675 402375969 /nfs/dbraw/zinc/37/59/69/402375969.db2.gz PFSSOZZRCJFKSG-AWEZNQCLSA-N 2 2 307.404 2.477 20 70 DEIDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000161167675 402375972 /nfs/dbraw/zinc/37/59/72/402375972.db2.gz PFSSOZZRCJFKSG-AWEZNQCLSA-N 2 2 307.404 2.477 20 70 DEIDLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000160649837 355965067 /nfs/dbraw/zinc/96/50/67/355965067.db2.gz SODJZQUEMYJXFY-CABCVRRESA-N 2 2 317.437 2.131 20 70 DEIDLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000160649837 355965069 /nfs/dbraw/zinc/96/50/69/355965069.db2.gz SODJZQUEMYJXFY-CABCVRRESA-N 2 2 317.437 2.131 20 70 DEIDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nc(N(C)C)cc[nH+]1 ZINC000160240274 274355457 /nfs/dbraw/zinc/35/54/57/274355457.db2.gz APYOWPDVENAVRL-ZBFHGGJFSA-N 2 2 311.433 2.475 20 70 DEIDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc(N(C)C)cc[nH+]1 ZINC000160240274 274355458 /nfs/dbraw/zinc/35/54/58/274355458.db2.gz APYOWPDVENAVRL-ZBFHGGJFSA-N 2 2 311.433 2.475 20 70 DEIDLP C[N@H+](CCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000159868286 523008477 /nfs/dbraw/zinc/00/84/77/523008477.db2.gz ONGNLPRLNUYCIK-UHFFFAOYSA-N 2 2 308.426 2.214 20 70 DEIDLP C[N@@H+](CCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000159868286 523008483 /nfs/dbraw/zinc/00/84/83/523008483.db2.gz ONGNLPRLNUYCIK-UHFFFAOYSA-N 2 2 308.426 2.214 20 70 DEIDLP Oc1cccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000160504196 402348812 /nfs/dbraw/zinc/34/88/12/402348812.db2.gz OMCYYFSHDLQUJC-UHFFFAOYSA-N 2 2 303.450 2.390 20 70 DEIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000161167546 402375706 /nfs/dbraw/zinc/37/57/06/402375706.db2.gz PFSSOZZRCJFKSG-CQSZACIVSA-N 2 2 307.404 2.477 20 70 DEIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000161167546 402375708 /nfs/dbraw/zinc/37/57/08/402375708.db2.gz PFSSOZZRCJFKSG-CQSZACIVSA-N 2 2 307.404 2.477 20 70 DEIDLP Cc1ccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161294442 539590156 /nfs/dbraw/zinc/59/01/56/539590156.db2.gz AYRCVTRPXZMMBB-UHFFFAOYSA-N 2 2 310.401 2.151 20 70 DEIDLP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160225629 197394359 /nfs/dbraw/zinc/39/43/59/197394359.db2.gz MXVHKLSKNFDVLP-LSDHHAIUSA-N 2 2 306.454 2.072 20 70 DEIDLP Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000160484950 402347401 /nfs/dbraw/zinc/34/74/01/402347401.db2.gz OTNRUEDIBNVWFN-CZUORRHYSA-N 2 2 322.416 2.438 20 70 DEIDLP C[NH+](C)C1CC[NH+](CCNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000160981911 402368101 /nfs/dbraw/zinc/36/81/01/402368101.db2.gz ONZZFKCINMGZKM-UHFFFAOYSA-N 2 2 309.498 2.345 20 70 DEIDLP Cc1ccc(C(=O)CC[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000159706186 526042210 /nfs/dbraw/zinc/04/22/10/526042210.db2.gz UAUGQZSWUKSOSL-UHFFFAOYSA-N 2 2 318.461 2.346 20 70 DEIDLP Cc1ccc(C(=O)CC[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000159706186 526042218 /nfs/dbraw/zinc/04/22/18/526042218.db2.gz UAUGQZSWUKSOSL-UHFFFAOYSA-N 2 2 318.461 2.346 20 70 DEIDLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000160649959 355964974 /nfs/dbraw/zinc/96/49/74/355964974.db2.gz SODJZQUEMYJXFY-HUUCEWRRSA-N 2 2 317.437 2.131 20 70 DEIDLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000160649959 355964976 /nfs/dbraw/zinc/96/49/76/355964976.db2.gz SODJZQUEMYJXFY-HUUCEWRRSA-N 2 2 317.437 2.131 20 70 DEIDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940406 402366503 /nfs/dbraw/zinc/36/65/03/402366503.db2.gz RVVLLKFOQNRURP-CPUCHLNUSA-N 2 2 324.490 2.050 20 70 DEIDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940406 402366506 /nfs/dbraw/zinc/36/65/06/402366506.db2.gz RVVLLKFOQNRURP-CPUCHLNUSA-N 2 2 324.490 2.050 20 70 DEIDLP Cc1ccccc1NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161288126 539590090 /nfs/dbraw/zinc/59/00/90/539590090.db2.gz GKLYWYYXWLSGPV-UHFFFAOYSA-N 2 2 310.401 2.151 20 70 DEIDLP C[C@@H](NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000161298677 355967994 /nfs/dbraw/zinc/96/79/94/355967994.db2.gz MSZQXJGILVRYIJ-MRXNPFEDSA-N 2 2 324.428 2.081 20 70 DEIDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnccn1 ZINC000160460854 287041586 /nfs/dbraw/zinc/04/15/86/287041586.db2.gz IPLQEHKZIHFXJI-OAHLLOKOSA-N 2 2 312.417 2.160 20 70 DEIDLP Cc1cccc([C@@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159392827 402322587 /nfs/dbraw/zinc/32/25/87/402322587.db2.gz FCBVMOPBTQLDLC-CRAIPNDOSA-N 2 2 315.461 2.470 20 70 DEIDLP Cc1cccc([C@@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159392827 402322589 /nfs/dbraw/zinc/32/25/89/402322589.db2.gz FCBVMOPBTQLDLC-CRAIPNDOSA-N 2 2 315.461 2.470 20 70 DEIDLP CCc1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000159467538 402323932 /nfs/dbraw/zinc/32/39/32/402323932.db2.gz QDIWDNAMCBLQQV-UHFFFAOYSA-N 2 2 305.470 2.455 20 70 DEIDLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000160650094 355965033 /nfs/dbraw/zinc/96/50/33/355965033.db2.gz SODJZQUEMYJXFY-GJZGRUSLSA-N 2 2 317.437 2.131 20 70 DEIDLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000160650094 355965036 /nfs/dbraw/zinc/96/50/36/355965036.db2.gz SODJZQUEMYJXFY-GJZGRUSLSA-N 2 2 317.437 2.131 20 70 DEIDLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161322787 402382820 /nfs/dbraw/zinc/38/28/20/402382820.db2.gz YEJKRRMANHIYGH-UHFFFAOYSA-N 2 2 323.868 2.324 20 70 DEIDLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161322787 402382823 /nfs/dbraw/zinc/38/28/23/402382823.db2.gz YEJKRRMANHIYGH-UHFFFAOYSA-N 2 2 323.868 2.324 20 70 DEIDLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161078903 402372284 /nfs/dbraw/zinc/37/22/84/402372284.db2.gz WZKAMSYOAMTFJK-HZPDHXFCSA-N 2 2 318.465 2.216 20 70 DEIDLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161078903 402372287 /nfs/dbraw/zinc/37/22/87/402372287.db2.gz WZKAMSYOAMTFJK-HZPDHXFCSA-N 2 2 318.465 2.216 20 70 DEIDLP Cc1ccccc1[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000159634856 402327086 /nfs/dbraw/zinc/32/70/86/402327086.db2.gz MSUZGCBHLFYMRL-GOSISDBHSA-N 2 2 319.493 2.036 20 70 DEIDLP CCN(CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000159499068 402324640 /nfs/dbraw/zinc/32/46/40/402324640.db2.gz MTUPDYBABQIZGJ-KBPBESRZSA-N 2 2 311.470 2.458 20 70 DEIDLP CCN(CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000159499068 402324642 /nfs/dbraw/zinc/32/46/42/402324642.db2.gz MTUPDYBABQIZGJ-KBPBESRZSA-N 2 2 311.470 2.458 20 70 DEIDLP C[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCCC1 ZINC000161358323 402384411 /nfs/dbraw/zinc/38/44/11/402384411.db2.gz HLLNKROKOCFZDD-CVEARBPZSA-N 2 2 316.449 2.041 20 70 DEIDLP FC(F)(F)COCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000159373824 402322214 /nfs/dbraw/zinc/32/22/14/402322214.db2.gz NUMYRKNAHPTOFJ-UHFFFAOYSA-N 2 2 317.355 2.215 20 70 DEIDLP