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([C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1)N1CCOCC1 ZINC000159719747 350686332 /nfs/dbraw/zinc/68/63/32/350686332.db2.gz LBEVIBWLFCSEAK-AWEZNQCLSA-N 2 2 292.383 0.454 20 70 CCIDLP O=C([C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1)N1CCOCC1 ZINC000159719747 350686334 /nfs/dbraw/zinc/68/63/34/350686334.db2.gz LBEVIBWLFCSEAK-AWEZNQCLSA-N 2 2 292.383 0.454 20 70 CCIDLP [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000160349112 389386477 /nfs/dbraw/zinc/38/64/77/389386477.db2.gz JCHLXFXKCHUCLN-LBPRGKRZSA-N 2 2 271.324 0.831 20 70 CCIDLP COCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159429909 389366555 /nfs/dbraw/zinc/36/65/55/389366555.db2.gz DMBHQXSVJQNWMI-AWEZNQCLSA-N 2 2 283.416 0.827 20 70 CCIDLP COCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159429909 389366560 /nfs/dbraw/zinc/36/65/60/389366560.db2.gz DMBHQXSVJQNWMI-AWEZNQCLSA-N 2 2 283.416 0.827 20 70 CCIDLP CCC(CC)(C[NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000161302586 350718354 /nfs/dbraw/zinc/71/83/54/350718354.db2.gz QOYIHVKZTQCIGY-KBPBESRZSA-N 2 2 297.443 0.931 20 70 CCIDLP O=C1NC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CCN12 ZINC000161401541 527074270 /nfs/dbraw/zinc/07/42/70/527074270.db2.gz PIIAMJGSISNAJS-CYBMUJFWSA-N 2 2 266.389 0.572 20 70 CCIDLP O=C1NC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)CCN12 ZINC000161401541 527074276 /nfs/dbraw/zinc/07/42/76/527074276.db2.gz PIIAMJGSISNAJS-CYBMUJFWSA-N 2 2 266.389 0.572 20 70 CCIDLP COC[C@@H]([NH3+])C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000159415968 350677840 /nfs/dbraw/zinc/67/78/40/350677840.db2.gz KXHUYGBQHKFSAS-LLVKDONJSA-N 2 2 276.340 0.435 20 70 CCIDLP CC(=O)NC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159780763 350688300 /nfs/dbraw/zinc/68/83/00/350688300.db2.gz OKDOOHUCQHRVJG-CYBMUJFWSA-N 2 2 250.346 0.731 20 70 CCIDLP CC(=O)NC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159780763 350688305 /nfs/dbraw/zinc/68/83/05/350688305.db2.gz OKDOOHUCQHRVJG-CYBMUJFWSA-N 2 2 250.346 0.731 20 70 CCIDLP COCC[N@H+](CCC[NH+]1CCCCC1)[C@H](C)C(N)=O ZINC000160989755 389402587 /nfs/dbraw/zinc/40/25/87/389402587.db2.gz GWUCHWXUMQYQAD-CYBMUJFWSA-N 2 2 271.405 0.685 20 70 CCIDLP COCC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)C(N)=O ZINC000160989755 389402591 /nfs/dbraw/zinc/40/25/91/389402591.db2.gz GWUCHWXUMQYQAD-CYBMUJFWSA-N 2 2 271.405 0.685 20 70 CCIDLP O=C([C@H]1CCC[N@@H+]1CCn1cc[nH+]c1)N1CCSCC1 ZINC000159799095 350687855 /nfs/dbraw/zinc/68/78/55/350687855.db2.gz ALDZNVWQGOCXEH-CYBMUJFWSA-N 2 2 294.424 0.923 20 70 CCIDLP O=C([C@H]1CCC[N@H+]1CCn1cc[nH+]c1)N1CCSCC1 ZINC000159799095 350687856 /nfs/dbraw/zinc/68/78/56/350687856.db2.gz ALDZNVWQGOCXEH-CYBMUJFWSA-N 2 2 294.424 0.923 20 70 CCIDLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160563839 277063744 /nfs/dbraw/zinc/06/37/44/277063744.db2.gz ITZBWQOCKVRQTB-VXGBXAGGSA-N 2 2 262.357 0.656 20 70 CCIDLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160563839 277063745 /nfs/dbraw/zinc/06/37/45/277063745.db2.gz ITZBWQOCKVRQTB-VXGBXAGGSA-N 2 2 262.357 0.656 20 70 CCIDLP CCOC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217056636 351945106 /nfs/dbraw/zinc/94/51/06/351945106.db2.gz SIZNXMRSJOIPKP-OLZOCXBDSA-N 2 2 297.399 0.130 20 70 CCIDLP CCOC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217056636 351945109 /nfs/dbraw/zinc/94/51/09/351945109.db2.gz SIZNXMRSJOIPKP-OLZOCXBDSA-N 2 2 297.399 0.130 20 70 CCIDLP O=C([C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1)N1CCOCC1 ZINC000159798140 389373505 /nfs/dbraw/zinc/37/35/05/389373505.db2.gz GAIHASMHLAPTQA-CQSZACIVSA-N 2 2 292.383 0.596 20 70 CCIDLP O=C([C@H]1CCCC[N@H+]1CCn1cc[nH+]c1)N1CCOCC1 ZINC000159798140 389373508 /nfs/dbraw/zinc/37/35/08/389373508.db2.gz GAIHASMHLAPTQA-CQSZACIVSA-N 2 2 292.383 0.596 20 70 CCIDLP C[C@H]([C@H](C)[N@H+](C)CCn1cc[nH+]c1)S(C)(=O)=O ZINC000159825017 389374194 /nfs/dbraw/zinc/37/41/94/389374194.db2.gz VBSJZYJPHIDIFP-WDEREUQCSA-N 2 2 259.375 0.637 20 70 CCIDLP C[C@H]([C@H](C)[N@@H+](C)CCn1cc[nH+]c1)S(C)(=O)=O ZINC000159825017 389374198 /nfs/dbraw/zinc/37/41/98/389374198.db2.gz VBSJZYJPHIDIFP-WDEREUQCSA-N 2 2 259.375 0.637 20 70 CCIDLP COCC[N@H+](CCC[NH+]1CCCCC1)[C@@H](C)C(N)=O ZINC000160989623 389402730 /nfs/dbraw/zinc/40/27/30/389402730.db2.gz GWUCHWXUMQYQAD-ZDUSSCGKSA-N 2 2 271.405 0.685 20 70 CCIDLP COCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)C(N)=O ZINC000160989623 389402735 /nfs/dbraw/zinc/40/27/35/389402735.db2.gz GWUCHWXUMQYQAD-ZDUSSCGKSA-N 2 2 271.405 0.685 20 70 CCIDLP CC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000161253693 523495459 /nfs/dbraw/zinc/49/54/59/523495459.db2.gz AIVHQZCNRGVIBK-KGLIPLIRSA-N 2 2 256.390 0.802 20 70 CCIDLP CC[C@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000161253693 523495464 /nfs/dbraw/zinc/49/54/64/523495464.db2.gz AIVHQZCNRGVIBK-KGLIPLIRSA-N 2 2 256.390 0.802 20 70 CCIDLP C[NH+](C)C1(CNC[C@@H](O)C[NH+]2CCOCC2)CCCC1 ZINC000160885303 350708184 /nfs/dbraw/zinc/70/81/84/350708184.db2.gz HLQWQWLTNXXUCN-CQSZACIVSA-N 2 2 285.432 0.144 20 70 CCIDLP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCn1cc[nH+]c1 ZINC000159825396 389374165 /nfs/dbraw/zinc/37/41/65/389374165.db2.gz VBSJZYJPHIDIFP-MNOVXSKESA-N 2 2 259.375 0.637 20 70 CCIDLP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCn1cc[nH+]c1 ZINC000159825396 389374169 /nfs/dbraw/zinc/37/41/69/389374169.db2.gz VBSJZYJPHIDIFP-MNOVXSKESA-N 2 2 259.375 0.637 20 70 CCIDLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000160134569 389380763 /nfs/dbraw/zinc/38/07/63/389380763.db2.gz CXUGWGMXBBDQEJ-QWHCGFSZSA-N 2 2 276.384 0.902 20 70 CCIDLP Cc1noc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000159840511 350690623 /nfs/dbraw/zinc/69/06/23/350690623.db2.gz ZFWCAYZFSCBOGD-UHFFFAOYSA-N 2 2 276.344 0.392 20 70 CCIDLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161319978 350718938 /nfs/dbraw/zinc/71/89/38/350718938.db2.gz ADTMGQRRPDJJLQ-LLVKDONJSA-N 2 2 291.355 0.048 20 70 CCIDLP C[N@H+](Cc1cc(=O)n2ccccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000160002037 389377204 /nfs/dbraw/zinc/37/72/04/389377204.db2.gz AOZRBIAIUQWYPP-ZDUSSCGKSA-N 2 2 272.352 0.864 20 70 CCIDLP C[N@@H+](Cc1cc(=O)n2ccccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000160002037 389377209 /nfs/dbraw/zinc/37/72/09/389377209.db2.gz AOZRBIAIUQWYPP-ZDUSSCGKSA-N 2 2 272.352 0.864 20 70 CCIDLP COCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159429794 389366770 /nfs/dbraw/zinc/36/67/70/389366770.db2.gz DMBHQXSVJQNWMI-CQSZACIVSA-N 2 2 283.416 0.827 20 70 CCIDLP COCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159429794 389366772 /nfs/dbraw/zinc/36/67/72/389366772.db2.gz DMBHQXSVJQNWMI-CQSZACIVSA-N 2 2 283.416 0.827 20 70 CCIDLP C(CSCC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000159808012 290727162 /nfs/dbraw/zinc/72/71/62/290727162.db2.gz ANBKKAOMKZULNW-UHFFFAOYSA-N 2 2 274.430 0.774 20 70 CCIDLP c1cn(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c[nH+]1 ZINC000159756121 350687435 /nfs/dbraw/zinc/68/74/35/350687435.db2.gz JWGIGVYRRYAAJZ-UHFFFAOYSA-N 3 2 278.400 0.927 20 70 CCIDLP CC(C)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000159793655 350688434 /nfs/dbraw/zinc/68/84/34/350688434.db2.gz NLGCVSAJVHNPOW-ZDUSSCGKSA-N 2 2 285.457 0.976 20 70 CCIDLP CC(C)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000159793655 350688437 /nfs/dbraw/zinc/68/84/37/350688437.db2.gz NLGCVSAJVHNPOW-ZDUSSCGKSA-N 2 2 285.457 0.976 20 70 CCIDLP C[N@H+](Cc1cc(=O)n2ccsc2n1)[C@H](C[NH3+])C1CC1 ZINC000160152656 389380978 /nfs/dbraw/zinc/38/09/78/389380978.db2.gz VIHPEPVYXJZAEA-LLVKDONJSA-N 2 2 278.381 0.925 20 70 CCIDLP C[N@@H+](Cc1cc(=O)n2ccsc2n1)[C@H](C[NH3+])C1CC1 ZINC000160152656 389380982 /nfs/dbraw/zinc/38/09/82/389380982.db2.gz VIHPEPVYXJZAEA-LLVKDONJSA-N 2 2 278.381 0.925 20 70 CCIDLP [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000160348982 389386652 /nfs/dbraw/zinc/38/66/52/389386652.db2.gz JCHLXFXKCHUCLN-GFCCVEGCSA-N 2 2 271.324 0.831 20 70 CCIDLP CCC(CC)[C@H](C(=O)NCC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000160053087 282253561 /nfs/dbraw/zinc/25/35/61/282253561.db2.gz YWJNTTDABNTWMC-CYBMUJFWSA-N 2 2 285.432 0.977 20 70 CCIDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000160785854 544701693 /nfs/dbraw/zinc/70/16/93/544701693.db2.gz GLFCRAZWZRUFQE-OCCSQVGLSA-N 2 2 283.416 0.242 20 70 CCIDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C2CC2)CC1 ZINC000160785854 544701696 /nfs/dbraw/zinc/70/16/96/544701696.db2.gz GLFCRAZWZRUFQE-OCCSQVGLSA-N 2 2 283.416 0.242 20 70 CCIDLP CC(C)CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161311074 544705090 /nfs/dbraw/zinc/70/50/90/544705090.db2.gz IAKZRYJTVNGDSF-UHFFFAOYSA-N 2 2 276.384 0.976 20 70 CCIDLP COCC[N@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159842726 350690542 /nfs/dbraw/zinc/69/05/42/350690542.db2.gz WUTDPUCXIQCWOZ-ZDUSSCGKSA-N 2 2 294.399 0.530 20 70 CCIDLP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159842726 350690545 /nfs/dbraw/zinc/69/05/45/350690545.db2.gz WUTDPUCXIQCWOZ-ZDUSSCGKSA-N 2 2 294.399 0.530 20 70 CCIDLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161319855 350718258 /nfs/dbraw/zinc/71/82/58/350718258.db2.gz ADTMGQRRPDJJLQ-NSHDSACASA-N 2 2 291.355 0.048 20 70 CCIDLP C[N@H+](Cc1cc(=O)n2ccsc2n1)[C@@H](C[NH3+])C1CC1 ZINC000160152519 389381625 /nfs/dbraw/zinc/38/16/25/389381625.db2.gz VIHPEPVYXJZAEA-NSHDSACASA-N 2 2 278.381 0.925 20 70 CCIDLP C[N@@H+](Cc1cc(=O)n2ccsc2n1)[C@@H](C[NH3+])C1CC1 ZINC000160152519 389381627 /nfs/dbraw/zinc/38/16/27/389381627.db2.gz VIHPEPVYXJZAEA-NSHDSACASA-N 2 2 278.381 0.925 20 70 CCIDLP NC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000159818758 389373711 /nfs/dbraw/zinc/37/37/11/389373711.db2.gz YFHRKOBUFNTNBH-UHFFFAOYSA-N 2 2 258.325 0.871 20 70 CCIDLP NC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000159818758 389373717 /nfs/dbraw/zinc/37/37/17/389373717.db2.gz YFHRKOBUFNTNBH-UHFFFAOYSA-N 2 2 258.325 0.871 20 70 CCIDLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159364104 389365597 /nfs/dbraw/zinc/36/55/97/389365597.db2.gz UEGVYVYUXPLTKM-CYBMUJFWSA-N 2 2 269.389 0.437 20 70 CCIDLP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159364104 389365601 /nfs/dbraw/zinc/36/56/01/389365601.db2.gz UEGVYVYUXPLTKM-CYBMUJFWSA-N 2 2 269.389 0.437 20 70 CCIDLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)C2CC2)n1C ZINC000160684286 522346471 /nfs/dbraw/zinc/34/64/71/522346471.db2.gz GZNXUABELGVKTM-UHFFFAOYSA-N 2 2 265.361 0.102 20 70 CCIDLP O=C([C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1)N1CCSCC1 ZINC000159799242 350688354 /nfs/dbraw/zinc/68/83/54/350688354.db2.gz ALDZNVWQGOCXEH-ZDUSSCGKSA-N 2 2 294.424 0.923 20 70 CCIDLP O=C([C@@H]1CCC[N@H+]1CCn1cc[nH+]c1)N1CCSCC1 ZINC000159799242 350688358 /nfs/dbraw/zinc/68/83/58/350688358.db2.gz ALDZNVWQGOCXEH-ZDUSSCGKSA-N 2 2 294.424 0.923 20 70 CCIDLP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159364244 292347868 /nfs/dbraw/zinc/34/78/68/292347868.db2.gz UEGVYVYUXPLTKM-ZDUSSCGKSA-N 2 2 269.389 0.437 20 70 CCIDLP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159364244 292347872 /nfs/dbraw/zinc/34/78/72/292347872.db2.gz UEGVYVYUXPLTKM-ZDUSSCGKSA-N 2 2 269.389 0.437 20 70 CCIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CC1 ZINC000161297111 544704722 /nfs/dbraw/zinc/70/47/22/544704722.db2.gz XCNQYYNDLOPWTG-UHFFFAOYSA-N 2 2 260.341 0.482 20 70 CCIDLP CCOCC[NH+]1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000161267073 350717672 /nfs/dbraw/zinc/71/76/72/350717672.db2.gz OIUWRZTUIPMMKG-UHFFFAOYSA-N 2 2 285.432 0.932 20 70 CCIDLP O=C([C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1)N1CCOCC1 ZINC000159719859 350686225 /nfs/dbraw/zinc/68/62/25/350686225.db2.gz LBEVIBWLFCSEAK-CQSZACIVSA-N 2 2 292.383 0.454 20 70 CCIDLP O=C([C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1)N1CCOCC1 ZINC000159719859 350686227 /nfs/dbraw/zinc/68/62/27/350686227.db2.gz LBEVIBWLFCSEAK-CQSZACIVSA-N 2 2 292.383 0.454 20 70 CCIDLP CCNC(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160365713 389387836 /nfs/dbraw/zinc/38/78/36/389387836.db2.gz ZREJHBFQPHWKLR-UHFFFAOYSA-N 2 2 296.459 0.616 20 70 CCIDLP COCCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161309598 544704813 /nfs/dbraw/zinc/70/48/13/544704813.db2.gz MBJYVRZZESLFIJ-UHFFFAOYSA-N 2 2 292.383 0.356 20 70 CCIDLP CC[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000161253809 523664659 /nfs/dbraw/zinc/66/46/59/523664659.db2.gz AIVHQZCNRGVIBK-ZIAGYGMSSA-N 2 2 256.390 0.802 20 70 CCIDLP CC[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000161253809 523664664 /nfs/dbraw/zinc/66/46/64/523664664.db2.gz AIVHQZCNRGVIBK-ZIAGYGMSSA-N 2 2 256.390 0.802 20 70 CCIDLP CC(C)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161307669 544705707 /nfs/dbraw/zinc/70/57/07/544705707.db2.gz BSTMVATWDZQFCH-UHFFFAOYSA-N 2 2 262.357 0.728 20 70 CCIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000161166770 350715237 /nfs/dbraw/zinc/71/52/37/350715237.db2.gz ZBYOSNSRMAKBHT-CYBMUJFWSA-N 2 2 268.405 0.994 20 70 CCIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000161166770 350715238 /nfs/dbraw/zinc/71/52/38/350715238.db2.gz ZBYOSNSRMAKBHT-CYBMUJFWSA-N 2 2 268.405 0.994 20 70 CCIDLP Cc1nnc([C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)[nH]1 ZINC000159854444 350690591 /nfs/dbraw/zinc/69/05/91/350690591.db2.gz NLULENAQNAXCBX-LLVKDONJSA-N 2 2 262.317 0.383 20 70 CCIDLP Cc1nnc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)[nH]1 ZINC000159854444 350690593 /nfs/dbraw/zinc/69/05/93/350690593.db2.gz NLULENAQNAXCBX-LLVKDONJSA-N 2 2 262.317 0.383 20 70 CCIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000161297511 544704926 /nfs/dbraw/zinc/70/49/26/544704926.db2.gz KZEWIDQYMDRGNV-UHFFFAOYSA-N 2 2 274.368 0.826 20 70 CCIDLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161330072 544705122 /nfs/dbraw/zinc/70/51/22/544705122.db2.gz MLQYPSQMZGSQCA-GFCCVEGCSA-N 2 2 274.368 0.871 20 70 CCIDLP C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000217773408 616254850 /nfs/dbraw/zinc/25/48/50/616254850.db2.gz WOYDEWWVHUUTPT-UONOGXRCSA-N 2 2 277.368 0.523 20 70 CCIDLP C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000217773408 616254851 /nfs/dbraw/zinc/25/48/51/616254851.db2.gz WOYDEWWVHUUTPT-UONOGXRCSA-N 2 2 277.368 0.523 20 70 CCIDLP 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